NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4410 8.4045 118.7941 54.5514 33.1923 174.3551 *2 S 4.5748 8.3937 111.2797 57.6358 64.3527 168.9918 *3 L 4.3554 8.6933 126.3046 53.6395 41.6121 175.2805 *4 I 4.5746 7.8568 122.3336 56.8543 38.0974 172.0522 5 A 3.8892 7.8924 128.7592 50.7196 18.8115 178.4983 6 G 4.4758 8.9643 123.7816 48.0542 0.0000 174.0231 *7 E 4.3801 6.9533 123.4361 53.8818 29.2337 179.9933 8 E 5.4972 9.0132 125.9330 57.2820 27.3817 177.9374 9 F 3.3517 7.6509 116.4010 59.6393 40.8616 173.1389 10 Q 4.5259 7.3315 121.0957 56.8054 32.2721 172.5733 11 H 4.3474 8.2063 116.0796 55.4143 32.4398 173.0265 12 I 4.4116 7.7731 117.2650 59.0823 39.3913 175.1156 13 L 4.6526 8.3812 124.8542 53.3746 43.9316 176.0898 14 R 4.5223 8.5370 116.5261 54.6116 32.9067 179.3947 15 V 3.5264 8.2052 115.7639 62.5380 31.3190 173.7833 16 L 4.0828 9.0220 117.5158 56.3171 41.8402 177.5624 17 N 4.7544 8.6320 129.1317 54.0923 42.5085 175.7055 18 T 3.5729 8.4059 122.1059 64.1516 67.6504 171.6595 19 N 4.6092 7.8104 119.7212 52.0959 39.1443 174.4780 20 V 4.3512 8.1791 123.0331 59.7270 31.9087 174.7704 21 D 4.6607 9.1904 126.4952 51.8188 41.3778 175.5684 22 G 4.2673 9.2853 107.1985 44.9334 0.0000 171.4510 23 K 4.4858 8.5166 123.1790 56.2819 31.4244 177.0235 24 Q 4.2910 7.5645 115.0867 55.2671 29.6225 175.5282 25 K 4.0321 8.5322 118.7447 56.6218 34.1147 178.0016 26 I 3.6535 8.3337 122.3061 64.4319 37.6543 178.2366 27 M 3.6543 7.1452 117.5528 58.6930 32.3156 178.0449 28 F 4.2161 7.3010 117.0323 60.1465 39.1014 177.5055 29 A 4.1175 8.4527 121.0619 55.2175 18.1547 179.7258 30 L 3.9734 8.3892 118.0294 57.8809 41.3749 179.7032 31 T 3.7508 7.4495 110.2478 65.4742 68.4886 176.9328 32 S 4.3823 7.8751 120.9846 61.8910 62.6507 179.0734 33 I 3.8312 7.9702 124.5769 60.9629 36.9606 175.3741 34 K 4.2082 8.4435 125.4814 58.9374 30.6015 176.4345 35 G 3.6860 9.4398 111.7290 45.1266 0.0000 171.6584 36 V 4.1576 7.4717 110.7619 59.2065 35.9572 175.7484 37 G 4.1056 8.2340 111.5684 44.2672 0.0000 174.3269 38 R 4.1888 8.6113 116.8258 59.3079 29.5854 179.4378 39 R 3.8942 7.9169 116.7004 59.3411 30.3993 178.2564 40 F 3.9929 8.2615 119.8401 61.4135 39.5369 177.1877 41 S 4.1496 7.8281 113.4868 61.6925 62.7224 176.4519 42 N 4.3753 7.5648 117.1671 56.1744 38.3497 177.6510 43 I 3.6973 7.3171 120.8275 64.4370 37.2906 178.7710 44 V 3.5148 7.2100 113.2666 64.2767 31.2860 178.4167 45 C 4.0674 7.5604 115.2027 62.8548 28.1409 176.1531 46 K 3.9169 7.5571 119.0257 59.4777 31.4263 179.3484 47 K 4.0138 7.7436 118.2823 59.4557 32.1992 178.5396 48 A 3.9980 7.8120 120.0674 52.8078 19.0132 176.3272 49 D 4.4007 7.6616 113.2807 55.6033 39.3268 174.1507 50 I 4.5244 7.8968 118.3724 59.2649 40.3486 176.1671 51 D 4.6732 8.4287 124.2274 54.1982 41.7362 176.4890 52 M 4.1861 8.5610 118.9057 58.4877 32.1011 178.5348 53 N 4.3580 7.9686 113.2491 54.0285 39.5329 174.8894 54 K 3.9250 7.9819 117.9218 56.3735 31.6286 176.2650 55 R 4.4033 8.9558 122.2853 55.6231 30.1358 177.9458 56 A 4.0651 8.8308 124.5365 55.2636 18.7651 180.1600 57 G 3.9009 8.1329 104.1580 48.4930 0.0000 174.7073 58 E 4.3249 7.8369 116.3553 58.3450 30.0921 177.4333 59 L 4.0541 7.0943 119.2752 54.9639 42.3892 177.0152 60 S 4.3720 8.2209 115.8725 57.5797 64.3673 175.7055 61 A 4.0221 8.5832 122.2885 55.7445 18.0332 179.5327 62 E 3.9393 8.1354 117.1746 59.3661 29.2421 178.6367 63 E 4.0150 7.8278 118.1737 59.4480 29.5642 179.1144 64 M 4.1404 7.9348 118.3641 58.0842 32.3122 178.2810 65 D 4.3606 8.0006 118.8308 57.4380 40.9546 178.8328 66 R 3.9351 8.0243 119.1869 59.1366 29.9617 178.5294 67 L 3.9635 7.5260 118.2454 58.0625 41.4375 179.3728 68 M 4.0505 7.7031 116.5192 58.3236 31.9907 178.4653 69 A 4.1724 7.7198 119.6648 55.1416 18.7812 179.6815 70 V 3.9607 8.2950 119.5500 64.7204 31.1101 178.3587 71 V 3.7093 7.4859 118.5896 65.2103 31.2115 177.3286 72 H 4.4015 8.0556 118.5385 57.1509 28.9538 175.6725 73 N 4.4573 7.8221 113.5482 51.6951 40.2525 172.1942 74 P 5.1996 0.0000 0.0000 62.2668 35.5600 173.2635 75 R 4.1035 8.8928 119.2736 57.5921 27.8305 178.0926 76 Q 4.0011 9.2395 114.6897 56.8581 29.1122 175.8118 77 F 4.8950 6.9158 115.7300 56.2612 41.5807 175.4697 78 K 4.2550 7.2255 119.1859 58.1942 35.9805 174.7702 79 V 4.9390 7.8240 131.4491 63.2957 33.8060 169.6153 80 P 4.7972 0.0000 0.0000 60.9515 33.4982 173.3011 81 D 4.5367 8.7805 122.4681 54.5337 41.6693 174.9067 82 W 4.2813 8.5596 122.1945 56.8911 32.4423 172.9928 83 F 3.5766 8.9017 115.1697 56.2126 36.8274 174.3898 84 L 4.1901 8.2663 121.0544 54.8718 41.7466 177.8770 85 N 4.4841 8.9963 119.6534 55.4202 37.6484 175.1952 86 R 3.7220 7.1703 117.0933 55.8285 29.5642 175.9657 87 K 5.2249 9.2359 133.6757 56.2001 33.9070 176.3850 88 K 3.3355 7.8470 120.9815 57.7027 31.5292 175.9514 89 D 4.5866 8.7631 119.0592 54.4777 40.4636 174.0609 90 Y 4.7373 8.0127 121.3532 57.7741 41.1524 176.9099 91 K 4.1766 9.3093 120.2037 55.1176 28.8979 176.8721 92 D 4.7006 8.5900 117.5490 53.3820 43.5844 177.1628 93 G 3.8670 9.2897 105.4734 45.8807 0.0000 174.1237 94 R 4.0805 8.2212 117.3660 57.7423 27.7851 176.2433 95 F 3.6977 7.6500 111.1051 57.1064 35.4065 174.9292 96 S 4.2006 8.1676 123.9585 59.5450 62.2873 173.6991 97 Q 4.6066 7.6417 127.5778 54.9979 29.7333 176.1900 98 V 2.9813 8.4093 124.8794 65.4504 31.2063 172.8426 99 V 3.7213 8.0115 108.8476 62.5186 32.3094 171.6940 100 S 4.5171 8.2907 113.0507 57.2965 59.8089 171.3948 101 N 4.1661 9.0158 120.8791 57.8059 38.5995 176.6013 102 A 3.9547 7.9506 121.6446 55.0527 18.4637 179.6140 103 V 3.4721 7.6671 116.1334 66.3947 31.8895 177.7985 104 D 4.3944 8.7751 119.0656 57.5518 40.4449 178.9321 105 M 4.0267 8.1947 119.2175 58.4921 32.0457 179.0633 106 K 4.2283 8.4654 120.2299 58.5519 32.0401 179.0970 107 L 4.1421 8.2020 122.7181 57.6577 41.8361 179.3082 108 R 3.8352 7.8630 117.4818 59.2543 29.9295 178.7287 109 D 4.2825 7.7438 118.8885 57.3635 40.9125 178.2856 110 D 4.1641 8.4300 118.9441 57.0785 40.8538 178.0483 111 L 3.7676 7.9275 121.0178 58.2395 41.8619 178.9156 112 E 3.9080 8.1110 117.4869 59.1180 29.2230 179.1569 113 R 4.0382 7.6380 118.2741 59.5235 30.1909 179.1749 114 L 4.0041 7.5227 118.1277 57.1632 41.2985 179.2908 115 K 3.7612 7.9220 118.7645 59.6531 31.1921 178.2961 116 K 4.0475 7.7183 119.1297 59.3535 31.8261 178.5797 117 I 3.8822 7.5012 117.9314 61.8642 38.0685 175.8721 118 R 3.9286 7.3998 114.0769 57.0811 27.5732 176.0810 119 N 4.7706 7.8686 115.0068 52.3757 40.1470 176.0638 120 H 4.1975 8.6980 118.2190 59.3970 29.3575 177.3501 121 R 3.8477 8.0003 119.6784 59.2526 30.1397 179.0620 122 G 3.5981 7.8974 104.8213 47.7797 0.0000 175.4900 123 L 3.5224 7.7571 121.3513 57.2185 41.3965 179.8276 124 R 3.3356 6.9294 117.4527 59.3061 29.7203 178.7977 125 H 3.8433 7.0668 113.5384 58.8552 28.7179 176.8652 126 Y 3.1128 7.1778 120.0119 60.1184 38.5984 178.0081 127 W 4.5637 7.0525 119.1505 59.3485 29.2842 177.4699 128 G 3.9829 8.5228 105.3313 45.0883 0.0000 173.4413 129 V 4.1486 7.3422 118.7794 60.9019 32.8039 175.7288 130 R 3.9884 8.3183 122.3195 56.3599 29.9513 176.7950 131 V 3.6148 8.3718 122.1987 65.3968 32.4348 176.8058 132 R 4.1409 7.7566 120.4054 55.4265 28.9835 176.4390 133 G 3.8747 7.5769 108.9424 46.7111 0.0000 171.0466 134 Q 4.3525 7.5572 117.5949 54.5204 30.6575 175.8625 135 H 4.2932 8.3666 115.0058 57.0000 28.5585 174.3612 136 T 4.6536 8.6521 106.9153 63.9957 74.1028 176.7714 137 K 4.9079 7.3449 121.2489 59.0713 32.7684 174.6732 138 T 4.2544 7.4551 113.0791 63.9736 71.4576 169.3383 139 T 3.4378 8.7932 121.0384 64.2268 67.5473 171.4637 140 G 4.9632 8.3313 127.0700 47.0564 0.0000 174.1167 *141 R 3.9466 7.8119 124.5539 59.5125 29.8107 183.0199 *142 R 4.0035 8.0916 115.7361 59.1194 29.6525 180.5472 143 G 3.8671 7.8196 109.6027 49.1446 0.0000 175.2670 *144 K 4.4449 7.4702 117.6263 55.7334 36.4671 179.0212 *145 T 4.2134 6.8688 108.4338 62.5038 73.4533 178.8889 *146 V 4.0151 8.3912 115.5018 61.5500 32.4558 171.9162 147 G 3.6266 8.6502 110.6569 47.4677 0.0000 174.2539 *148 V 4.3975 7.8171 124.3412 60.5950 35.5430 173.0334 *149 S 3.8179 8.4291 117.0639 58.2403 65.0491 173.2883 *150 K 4.2742 9.7655 126.1484 56.5552 31.2296 179.3831 *151 K 4.5001 9.6927 125.4871 55.7508 39.9369 178.1915 *152 R 4.2763 8.9853 117.6128 57.3527 30.0685 177.1696 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 M 8.40 4.44 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 *2 S 8.39 4.57 0.00 3.68 3.64 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 *3 L 8.69 4.36 0.00 1.66 1.52 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *4 I 7.86 4.57 1.87 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 1.35 0.65 0.91 0.00 0.00 5 A 7.89 3.89 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 6 G 8.96 4.48 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 0.00 0.00 0.00 *7 E 6.95 4.38 0.00 2.13 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 0.00 2.11 2.11 0.00 8 E 9.01 5.50 0.00 2.13 2.21 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 2.12 1.99 0.00 9 F 7.65 3.35 0.00 3.04 3.23 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 0.00 10 Q 7.33 4.53 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.47 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 11 H 8.21 4.35 0.00 3.03 3.02 0.00 5.86 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 12 I 7.77 4.41 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.74 0.00 0.00 13 L 8.38 4.65 0.00 1.77 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.54 4.52 0.00 1.84 1.92 0.00 3.55 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 15 V 8.21 3.53 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 0.70 0.00 0.00 0.93 0.00 0.00 16 L 9.02 4.08 0.00 1.81 1.89 0.93 0.64 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 17 N 8.63 4.75 0.00 2.93 2.78 0.00 0.00 7.37 6.74 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 18 T 8.41 3.57 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 1.20 0.00 0.00 19 N 7.81 4.61 0.00 2.96 2.73 0.00 0.00 6.33 7.21 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 20 V 8.18 4.35 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 0.77 0.00 0.00 0.93 0.00 0.00 21 D 9.19 4.66 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 22 G 9.29 4.27 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 0.00 23 K 8.52 4.49 0.00 1.90 2.10 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.41 7.81 24 Q 7.56 4.29 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 25 K 8.53 4.03 0.00 2.06 2.02 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.85 7.81 26 I 8.33 3.65 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.99 0.00 0.00 27 M 7.15 3.65 0.00 1.53 1.83 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.54 0.00 28 F 7.30 4.22 0.00 3.28 3.26 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 29 A 8.45 4.12 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 30 L 8.39 3.97 0.00 1.73 1.72 0.87 0.64 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 31 T 7.45 3.75 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 1.42 0.00 0.00 32 S 7.88 4.38 0.00 3.74 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 33 I 7.97 3.83 2.00 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 1.28 0.69 0.87 0.00 0.00 34 K 8.44 4.21 0.00 1.71 1.78 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 35 G 9.44 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 4.16 2.39 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 0.80 0.00 0.00 1.00 0.00 0.00 37 G 8.23 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 0.00 0.00 0.00 38 R 8.61 4.19 0.00 2.04 2.29 0.00 3.25 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 39 R 7.92 3.89 0.00 1.86 2.04 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 40 F 8.26 3.99 0.00 3.09 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 41 S 7.83 4.15 0.00 3.99 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 42 N 7.56 4.38 0.00 2.69 2.82 0.00 0.00 7.05 7.20 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 43 I 7.32 3.70 1.54 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 0.85 0.00 0.00 44 V 7.21 3.51 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 0.56 0.00 0.00 0.92 0.00 0.00 45 C 7.56 4.07 0.00 3.10 3.18 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 46 K 7.56 3.92 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 47 K 7.74 4.01 0.00 1.87 2.00 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 48 A 7.81 4.00 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 49 D 7.66 4.40 0.00 2.86 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 50 I 7.90 4.52 1.84 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 1.28 1.04 0.89 0.00 0.00 51 D 8.43 4.67 0.00 2.66 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 52 M 8.56 4.19 0.00 2.13 2.14 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 2.68 2.53 0.00 53 N 7.97 4.36 0.00 2.71 2.89 0.00 0.00 6.91 7.61 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 54 K 7.98 3.92 0.00 1.81 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.47 7.81 55 R 8.96 4.40 0.00 1.90 1.94 0.00 3.44 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 56 A 8.83 4.07 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 57 G 8.13 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 0.00 0.00 0.00 58 E 7.84 4.32 0.00 2.19 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 0.00 2.34 2.61 0.00 59 L 7.09 4.05 0.00 1.88 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.22 4.37 0.00 3.88 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 61 A 8.58 4.02 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 62 E 8.14 3.94 0.00 2.04 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 2.37 2.40 0.00 63 E 7.83 4.02 0.00 2.29 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 2.32 2.46 0.00 64 M 7.93 4.14 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.62 0.00 65 D 8.00 4.36 0.00 2.88 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 66 R 8.02 3.94 0.00 2.02 1.91 0.00 3.25 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 67 L 7.53 3.96 0.00 1.94 1.70 0.91 0.85 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 68 M 7.70 4.05 0.00 2.05 2.14 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 2.84 2.57 0.00 69 A 7.72 4.17 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 70 V 8.29 3.96 2.18 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 1.03 0.00 0.00 0.92 0.00 0.00 71 V 7.49 3.71 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 0.76 0.00 0.00 0.91 0.00 0.00 72 H 8.06 4.40 0.00 3.20 3.38 0.00 5.74 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 73 N 7.82 4.46 0.00 2.84 2.87 0.00 0.00 6.36 8.83 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 74 P 0.00 5.20 0.00 2.20 2.29 0.00 3.98 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 2.07 0.00 75 R 8.89 4.10 0.00 2.01 1.71 0.00 2.95 0.00 0.00 3.27 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 76 Q 9.24 4.00 0.00 1.58 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 77 F 6.92 4.89 0.00 3.17 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 78 K 7.23 4.26 0.00 1.67 1.58 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 1.40 7.81 79 V 7.82 4.94 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 0.84 0.00 0.00 0.88 0.00 0.00 80 P 0.00 4.80 0.00 1.43 1.59 0.00 3.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.48 0.00 81 D 8.78 4.54 0.00 2.89 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 82 W 8.56 4.28 0.00 3.41 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 83 F 8.90 3.58 0.00 3.13 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.19 0.00 1.69 1.64 0.94 1.00 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 85 N 9.00 4.48 0.00 2.88 3.02 0.00 0.00 6.12 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 86 R 7.17 3.72 0.00 1.86 1.94 0.00 3.36 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 87 K 9.24 5.22 0.00 1.82 1.88 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.24 7.81 88 K 7.85 3.34 0.00 1.86 1.55 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.45 7.81 89 D 8.76 4.59 0.00 2.75 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 90 Y 8.01 4.74 0.00 2.74 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 91 K 9.31 4.18 0.00 1.96 1.99 0.00 2.06 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.26 1.36 7.81 92 D 8.59 4.70 0.00 2.83 2.76 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 0.00 0.00 0.00 0.00 93 G 9.29 3.87 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 0.00 0.00 0.00 94 R 8.22 4.08 0.00 1.94 2.59 0.00 3.54 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 95 F 7.65 3.70 0.00 3.15 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 96 S 8.17 4.20 0.00 4.03 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 0.00 97 Q 7.64 4.61 0.00 1.87 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.19 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 98 V 8.41 2.98 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 0.83 0.00 0.00 0.93 0.00 0.00 99 V 8.01 3.72 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 0.63 0.00 0.00 0.70 0.00 0.00 100 S 8.29 4.52 0.00 3.93 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 0.00 101 N 9.02 4.17 0.00 2.82 2.80 0.00 0.00 6.81 7.71 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 0.00 102 A 7.95 3.95 1.31 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 0.00 0.00 103 V 7.67 3.47 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 1.08 0.00 0.00 0.94 0.00 0.00 104 D 8.78 4.39 0.00 2.69 2.68 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 0.00 105 M 8.19 4.03 0.00 2.04 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 2.60 2.56 0.00 106 K 8.47 4.23 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.29 7.81 107 L 8.20 4.14 0.00 1.81 1.79 0.93 0.78 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 0.00 108 R 7.86 3.84 0.00 2.06 1.91 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 109 D 7.74 4.28 0.00 2.83 2.68 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 0.00 110 D 8.43 4.16 0.00 2.54 2.75 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 0.00 0.00 0.00 111 L 7.93 3.77 0.00 1.70 1.64 0.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.11 3.91 0.00 2.11 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 2.41 2.44 0.00 113 R 7.64 4.04 0.00 1.76 1.85 0.00 2.81 0.00 0.00 2.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 114 L 7.52 4.00 0.00 1.63 1.72 0.78 0.58 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 0.00 115 K 7.92 3.76 0.00 1.69 1.96 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.52 7.81 116 K 7.72 4.05 0.00 1.84 1.77 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 117 I 7.50 3.88 1.92 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 1.69 0.84 1.04 0.00 0.00 118 R 7.40 3.93 0.00 2.01 2.16 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 119 N 7.87 4.77 0.00 2.79 2.77 0.00 0.00 6.69 8.23 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 0.00 120 H 8.70 4.20 0.00 3.21 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.00 3.85 0.00 1.85 1.91 0.00 3.21 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 122 G 7.90 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 0.00 123 L 7.76 3.52 0.00 1.57 1.17 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 R 6.93 3.34 0.00 1.68 1.91 0.00 3.00 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 0.00 125 H 7.07 3.84 0.00 3.13 3.18 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.18 3.11 0.00 2.64 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 0.00 127 W 7.05 4.56 0.00 3.36 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 0.00 128 G 8.52 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 0.00 0.00 0.00 129 V 7.34 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 0.91 0.00 0.00 1.09 0.00 0.00 130 R 8.32 3.99 0.00 1.93 1.91 0.00 3.08 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 131 V 8.37 3.61 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 0.67 0.00 0.00 132 R 7.76 4.14 0.00 1.79 1.83 0.00 3.44 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 133 G 7.58 3.87 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 0.00 0.00 0.00 134 Q 7.56 4.35 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 135 H 8.37 4.29 0.00 3.13 3.34 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.65 4.65 4.27 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 1.28 0.00 0.00 137 K 7.34 4.91 0.00 1.57 1.82 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.54 7.81 138 T 7.46 4.25 4.34 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 1.23 0.00 0.00 139 T 8.79 3.44 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 1.23 0.00 0.00 140 G 8.33 4.96 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 0.00 0.00 0.00 *141 R 7.81 3.95 0.00 1.75 1.95 0.00 3.25 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 *142 R 8.09 4.00 0.00 1.82 1.87 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 143 G 7.82 3.87 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 0.00 0.00 0.00 *144 K 7.47 4.44 0.00 1.74 1.64 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 0.98 7.81 *145 T 6.87 4.21 4.24 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 1.21 0.00 0.00 *146 V 8.39 4.02 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 0.89 0.00 0.00 0.93 0.00 0.00 147 G 8.65 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 *148 V 7.82 4.40 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 0.93 0.00 0.00 *149 S 8.43 3.82 0.00 3.64 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 *150 K 9.77 4.27 0.00 1.77 1.23 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.00 7.81 *151 K 9.69 4.50 0.00 1.72 1.38 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.24 0.97 7.81 *152 R 8.99 4.28 0.00 1.78 1.65 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.