NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.7278 8.4449 117.8262 55.9255 30.1849 172.2784 -3 H 4.7679 8.4787 119.7106 52.7430 31.3600 172.3728 -2 H 4.2133 9.6586 123.3259 56.8209 30.8941 174.4952 -1 H 4.3560 8.7395 124.4458 55.9127 29.1989 175.2086 0 H 4.6604 8.5007 120.4737 55.0346 29.5629 174.3737 1 L 4.5830 8.8371 124.4814 53.3669 43.0650 175.6014 2 K 5.6956 8.2764 124.6448 53.4138 36.1085 175.7278 0 K 4.2504 8.3707 122.6737 56.2346 33.6629 176.8737 1 K 4.5630 8.9671 123.0814 54.4669 33.7650 174.6014 2 Y 5.9256 8.1064 124.5448 55.1138 40.8085 175.0278 7 T 4.7511 8.5027 110.5053 59.7546 71.7632 175.5159 8 K 3.6370 8.6283 121.5970 58.9777 32.2642 178.1801 9 T 4.3577 7.9492 107.3609 61.6151 69.3578 173.9833 10 H 4.3746 8.2617 117.9556 58.0349 26.5938 173.6893 11 E 5.2919 8.3479 117.9558 54.2594 33.6249 176.5737 12 W 5.0195 8.4246 118.5033 54.6548 31.6389 174.7335 13 V 4.5327 7.9752 120.2829 61.3457 33.7874 174.3103 14 S 4.6853 9.2498 124.0490 56.8161 63.9044 172.2765 15 I 4.7973 8.3092 127.7083 59.4176 39.9647 174.7415 16 E 4.5785 8.9928 128.2511 54.9152 32.5045 177.6898 17 D 4.2617 9.2567 128.0650 55.6454 40.0657 175.7125 18 K 4.2638 8.9515 130.3707 57.2228 32.9096 175.1476 19 V 4.4886 7.9338 121.0166 61.2453 33.3386 174.1242 20 A 5.0873 8.4954 129.8295 50.6166 21.3905 175.0639 21 T 4.6233 8.7311 120.1385 62.0170 70.7159 174.1869 22 V 3.8368 7.9666 125.8435 61.1357 34.9841 174.9021 23 G 4.0949 6.2461 111.5548 45.6269 0.0000 171.4696 24 I 5.1019 8.3142 113.0967 59.3158 39.9845 175.9600 25 T 4.6933 8.6664 114.4355 60.9899 70.1297 175.0921 26 N 4.3426 9.7138 120.6908 57.2333 38.7686 176.2290 27 H 4.0822 8.5200 118.8170 59.2132 29.9827 176.8691 28 A 4.0688 8.0069 122.2978 55.3237 18.4435 179.6510 29 Q 4.0232 8.2404 116.2504 59.4254 28.4078 178.3944 30 E 4.0622 8.1018 119.6982 59.4631 29.5821 179.1358 31 Q 4.1217 7.7761 116.7052 58.9280 28.8520 178.4413 32 L 4.1547 7.8685 119.2904 57.5892 42.1485 178.4618 33 G 3.7380 8.4191 105.8597 44.4373 0.0000 171.8286 34 D 4.5047 8.4907 119.9527 54.5211 40.8911 175.6440 35 V 4.3221 9.2443 126.0374 63.0258 31.6581 176.1468 36 V 4.4700 8.7303 119.7616 61.4143 33.9399 175.2053 37 Y 4.6159 7.4506 118.8523 56.6057 41.9793 172.7958 38 V 4.5511 7.7612 125.4991 60.8699 35.0038 173.8638 39 D 4.6093 8.7900 127.1718 52.5650 42.9914 175.1397 40 L 4.8948 8.2314 125.9709 52.5314 43.6766 174.7236 41 P 4.4057 0.0000 0.0000 62.7123 32.7612 175.4197 42 E 4.3103 8.3860 119.7809 54.9246 30.5296 176.5216 43 V 3.8105 8.1674 123.6214 64.3989 32.0161 176.0034 44 G 3.9961 9.0532 116.3692 44.9569 0.0000 173.6852 45 R 4.0137 7.7326 121.1946 56.4163 31.1250 175.2183 46 E 4.7565 8.7323 126.2173 55.9241 30.4886 176.2542 47 V 4.7227 9.1297 117.5290 59.5298 36.0224 174.9116 48 K 4.7776 8.7069 122.4038 54.1797 34.7170 176.1322 49 K 4.0687 8.3108 124.0114 58.6342 32.3788 176.8280 50 G 4.0267 9.1238 115.1037 45.1357 0.0000 173.5262 51 E 4.1869 8.0095 121.0680 55.9376 31.0040 176.1865 52 V 4.3593 8.4489 125.9628 63.3236 31.6156 175.8008 53 V 4.4072 8.8101 119.8510 61.0273 33.9264 175.2735 54 A 4.8125 7.5865 120.6477 50.7026 22.9750 175.0043 55 S 5.0979 8.9115 114.3498 56.8066 67.3596 173.5087 56 I 5.0122 8.8693 123.5855 59.5795 40.8205 174.1731 57 E 5.0816 9.7218 126.5659 54.5881 32.5712 175.5051 58 S 5.0492 8.7421 118.7417 56.2250 65.7638 174.2699 59 V 3.7278 8.5346 119.4333 65.5012 31.0624 176.8567 60 K 4.3810 7.9369 114.9023 56.8890 33.9241 174.8662 61 A 4.5369 7.9119 121.2314 51.9870 22.0227 174.0108 62 A 5.1776 8.1263 116.0706 51.3921 22.0889 176.1992 63 A 4.7195 9.0369 121.2654 50.5373 23.0456 175.3837 64 D 4.9051 8.6199 120.2664 53.4574 42.6761 175.9496 65 V 4.1242 8.4643 121.8900 61.3858 33.6545 174.0120 66 Y 5.2861 8.6014 125.5134 55.8637 40.2637 175.5131 67 A 4.3116 9.1876 125.9252 52.0007 18.8463 176.9142 68 P 4.5821 0.0000 0.0000 64.7941 32.0613 176.0773 69 L 4.7953 7.3773 116.8997 53.4461 45.9188 175.1947 70 S 4.7268 10.1570 116.9975 57.4792 64.5686 175.5038 71 G 4.0077 7.0563 109.4853 45.2698 0.0000 170.8575 72 K 5.0378 8.0788 123.6232 54.2777 34.9895 177.5836 73 I 4.0913 8.7606 128.9270 62.0116 37.3849 176.8280 74 V 4.6386 8.8629 119.7584 61.4646 34.0937 175.5129 75 E 4.9006 8.0198 119.6913 55.1390 32.8868 174.0807 76 V 4.9042 8.4183 117.5114 59.2478 35.8442 176.4015 77 N 4.0007 8.1521 122.2567 51.8769 36.1707 175.4099 78 E 3.9286 8.1376 124.7481 58.6116 29.8787 178.4874 79 K 3.9494 7.8981 118.2812 59.6709 32.3110 178.8504 80 L 4.1069 7.5892 119.2542 57.3129 41.4673 178.6449 81 D 4.3768 7.9633 118.8386 56.5049 40.7424 177.6215 82 T 4.4533 7.7547 108.0061 61.4239 71.7941 174.1463 83 E 4.7920 8.3216 122.0692 53.4685 29.6341 174.2934 84 P 4.3980 0.0000 0.0000 65.1312 32.0576 177.9359 85 E 4.1260 8.1412 117.0900 58.6308 29.4075 178.6087 86 L 4.0320 7.8991 120.4555 57.6862 41.3305 179.1437 87 I 3.7545 7.5068 119.4262 64.3898 37.0349 177.7621 88 N 4.7891 7.8083 117.3125 55.4461 38.7076 177.2251 89 K 4.2281 7.9597 118.9160 58.6994 33.7430 177.7719 90 D 4.8231 8.4209 117.9858 52.2987 42.2268 173.4800 91 P 4.3989 0.0000 0.0000 65.1784 31.8548 177.9744 92 E 3.9611 8.1734 115.4408 55.3100 31.3976 175.3736 93 G 3.9850 8.1260 106.6350 45.7282 0.0000 174.8391 94 E 4.1227 6.9738 123.8729 59.0943 30.3477 176.4799 95 G 4.0748 8.4597 106.8563 44.9283 0.0000 173.7563 96 W 4.5367 8.0132 116.6435 56.8139 28.9064 175.6931 97 L 4.3992 8.7616 120.6807 56.4418 42.6544 176.4259 98 F 5.6114 7.5814 111.3334 56.0846 41.5296 172.4346 99 K 5.3541 9.4434 118.9196 53.5060 36.3845 174.5552 *101 E 4.5743 8.4838 120.5112 56.3180 30.5118 175.1252 102 I 4.6938 8.7179 121.7618 60.8922 38.4519 175.9850 103 S 4.6100 8.7688 117.4073 58.8548 64.9860 174.2137 104 D 4.4946 7.8087 120.2412 53.0337 41.7801 174.8774 105 E 4.0899 8.7350 126.7099 58.5333 30.2749 179.8937 106 G 3.6861 8.1116 106.0289 47.6526 0.0000 175.4707 107 E 4.2079 8.1610 120.4236 59.3578 29.4705 179.3230 108 L 4.0616 7.9154 118.9767 57.4894 41.4067 178.7602 109 E 4.2189 7.8993 116.5284 58.0811 29.5878 177.8645 110 D 4.5882 7.9146 117.9569 54.5694 41.3865 176.1697 111 L 4.6047 6.8778 119.0546 53.3209 43.5307 176.2852 112 L 4.5166 8.3305 120.5094 54.5422 42.8960 176.9792 113 D 4.8088 8.5890 122.3985 52.4889 41.5522 176.7683 114 E 3.9448 9.0176 118.0255 59.2951 29.5308 178.2291 115 Q 3.9215 8.1972 118.9686 59.2662 29.2291 177.9650 116 A 4.0523 8.8514 122.1888 55.3338 18.3199 179.0392 117 Y 4.0305 8.2371 118.1006 60.9340 38.8828 177.9845 118 Q 3.8081 8.3486 119.2976 58.7327 28.6484 178.6706 119 E 3.8979 8.2489 119.6540 59.3586 29.3433 178.8990 120 F 4.0977 8.0106 119.2678 61.6900 39.4219 176.7230 121 C 3.8456 7.7044 114.7231 62.5762 27.9605 175.5447 122 A 4.0393 7.6284 121.1306 55.0114 18.0288 177.9285 123 Q 4.1631 8.0547 120.1660 56.1972 29.0717 175.8227 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 -4 H 8.44 4.73 0.00 3.13 3.34 0.00 5.82 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 -3 H 8.48 4.77 0.00 3.23 3.21 0.00 5.72 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 -2 H 9.66 4.21 0.00 3.05 3.24 0.00 5.93 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.74 4.36 0.00 3.12 3.20 0.00 5.77 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 0 H 8.50 4.66 0.00 3.10 3.27 0.00 5.74 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 1 L 8.84 4.58 0.00 1.76 1.54 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.28 5.70 0.00 1.60 1.61 0.00 1.84 0.00 0.00 2.24 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.23 7.81 0 K 8.37 4.25 0.00 1.65 1.86 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.33 7.81 1 K 8.97 4.56 0.00 1.98 1.67 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.29 7.81 2 Y 8.11 5.93 0.00 2.79 2.84 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 0.00 0.00 0.00 7 T 8.50 4.75 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 1.21 0.00 0.00 8 K 8.63 3.64 0.00 1.60 1.68 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.00 7.81 9 T 7.95 4.36 4.52 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 1.34 0.00 0.00 10 H 8.26 4.37 0.00 3.64 3.72 0.00 5.56 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 11 E 8.35 5.29 0.00 1.89 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 2.21 2.29 0.00 12 W 8.42 5.02 0.00 2.98 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 13 V 7.98 4.53 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 0.69 0.00 0.00 0.80 0.00 0.00 14 S 9.25 4.69 0.00 4.12 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 15 I 8.31 4.80 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.89 0.00 0.00 16 E 8.99 4.58 0.00 1.91 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 2.21 2.13 0.00 17 D 9.26 4.26 0.00 2.82 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 0.00 0.00 0.00 18 K 8.95 4.26 0.00 1.81 1.82 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.41 7.81 19 V 7.93 4.49 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 0.89 0.00 0.00 0.91 0.00 0.00 20 A 8.50 5.09 1.17 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 0.00 0.00 21 T 8.73 4.62 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 1.00 0.00 0.00 22 V 7.97 3.84 0.67 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 0.54 0.00 0.00 0.45 0.00 0.00 23 G 6.25 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 0.00 0.00 0.00 24 I 8.31 5.10 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.92 0.00 0.00 25 T 8.67 4.69 4.67 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 1.44 0.00 0.00 26 N 9.71 4.34 0.00 2.87 2.96 0.00 0.00 7.24 7.76 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 27 H 8.52 4.08 0.00 3.34 3.46 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.01 4.07 1.60 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 29 Q 8.24 4.02 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 30 E 8.10 4.06 0.00 2.16 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 2.35 2.47 0.00 31 Q 7.78 4.12 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 32 L 7.87 4.15 0.00 1.89 1.75 0.96 0.77 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 33 G 8.42 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 34 D 8.49 4.50 0.00 2.73 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 35 V 9.24 4.32 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 0.85 0.00 0.00 1.02 0.00 0.00 36 V 8.73 4.47 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 0.78 0.00 0.00 1.01 0.00 0.00 37 Y 7.45 4.62 0.00 2.96 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 38 V 7.76 4.55 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 0.81 0.00 0.00 39 D 8.79 4.61 0.00 2.83 2.49 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 40 L 8.23 4.89 0.00 1.47 1.49 0.78 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.41 0.00 1.79 1.81 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.95 0.00 42 E 8.39 4.31 0.00 2.01 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 2.33 2.24 0.00 43 V 8.17 3.81 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 0.85 0.00 0.00 0.96 0.00 0.00 44 G 9.05 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 0.00 0.00 0.00 45 R 7.73 4.01 0.00 1.96 1.83 0.00 3.03 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 46 E 8.73 4.76 0.00 1.88 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 2.28 2.28 0.00 47 V 9.13 4.72 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 0.65 0.00 0.00 0.96 0.00 0.00 48 K 8.71 4.78 0.00 1.73 1.71 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 49 K 8.31 4.07 0.00 1.73 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 50 G 9.12 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 0.00 0.00 0.00 51 E 8.01 4.19 0.00 2.22 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 2.27 0.00 52 V 8.45 4.36 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 0.91 0.00 0.00 1.18 0.00 0.00 53 V 8.81 4.41 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 0.59 0.00 0.00 0.59 0.00 0.00 54 A 7.59 4.81 1.15 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 55 S 8.91 5.10 0.00 3.81 3.77 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 56 I 8.87 5.01 1.88 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 1.19 0.79 0.93 0.00 0.00 57 E 9.72 5.08 0.00 2.01 1.86 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 2.26 2.40 0.00 58 S 8.74 5.05 0.00 3.98 3.88 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 59 V 8.53 3.73 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 0.80 0.00 0.00 0.97 0.00 0.00 60 K 7.94 4.38 0.00 1.89 1.90 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 7.91 4.54 1.27 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 62 A 8.13 5.18 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 63 A 9.04 4.72 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 64 D 8.62 4.91 0.00 2.43 2.27 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 65 V 8.46 4.12 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 1.13 0.00 0.00 0.86 0.00 0.00 66 Y 8.60 5.29 0.00 2.94 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 67 A 9.19 4.31 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 68 P 0.00 4.58 0.00 2.16 2.17 0.00 3.89 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 1.95 1.87 0.00 69 L 7.38 4.80 0.00 1.61 1.66 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 S 10.16 4.73 0.00 3.85 3.77 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 71 G 7.06 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 0.00 0.00 0.00 72 K 8.08 5.04 0.00 1.98 1.67 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.62 7.81 73 I 8.76 4.09 1.98 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.95 0.00 0.00 74 V 8.86 4.64 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 0.71 0.00 0.00 1.02 0.00 0.00 75 E 8.02 4.90 0.00 2.10 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 2.64 2.49 0.00 76 V 8.42 4.90 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 0.83 0.00 0.00 0.92 0.00 0.00 77 N 8.15 4.00 0.00 1.44 1.88 0.00 0.00 7.43 7.23 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 78 E 8.14 3.93 0.00 2.00 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 2.35 0.00 79 K 7.90 3.95 0.00 1.93 2.03 0.00 1.48 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.41 7.81 80 L 7.59 4.11 0.00 1.54 1.63 0.73 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.96 4.38 0.00 2.71 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 82 T 7.75 4.45 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 83 E 8.32 4.79 0.00 1.91 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 2.17 2.41 0.00 84 P 0.00 4.40 0.00 2.28 2.32 0.00 3.74 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 2.07 2.02 0.00 85 E 8.14 4.13 0.00 2.19 2.26 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 2.36 2.35 0.00 86 L 7.90 4.03 0.00 1.71 1.76 1.00 0.81 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 87 I 7.51 3.75 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.50 0.95 0.00 0.00 88 N 7.81 4.79 0.00 2.83 2.89 0.00 0.00 7.31 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 89 K 7.96 4.23 0.00 1.87 1.89 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.62 7.81 90 D 8.42 4.82 0.00 2.70 2.53 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 0.00 91 P 0.00 4.40 0.00 2.59 2.45 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 92 E 8.17 3.96 0.00 1.65 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 1.69 2.22 0.00 93 G 8.13 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 0.00 0.00 0.00 94 E 6.97 4.12 0.00 2.08 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 0.00 2.38 2.35 0.00 95 G 8.46 4.07 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 0.00 96 W 8.01 4.54 0.00 3.55 3.56 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 97 L 8.76 4.40 0.00 1.73 1.86 0.90 0.74 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 98 F 7.58 5.61 0.00 3.24 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 99 K 9.44 5.35 0.00 1.69 1.70 0.00 1.69 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.90 7.81 *101 E 8.48 4.57 0.00 2.09 1.90 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 2.28 2.33 0.00 102 I 8.72 4.69 1.87 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 1.50 0.71 0.91 0.00 0.00 103 S 8.77 4.61 0.00 3.88 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 0.00 104 D 7.81 4.49 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.74 4.09 0.00 2.07 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 2.40 2.31 0.00 106 G 8.11 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 0.00 107 E 8.16 4.21 0.00 2.21 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 2.33 2.54 0.00 108 L 7.92 4.06 0.00 1.82 1.71 0.91 0.76 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 0.00 109 E 7.90 4.22 0.00 2.11 2.01 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 2.34 2.49 0.00 110 D 7.91 4.59 0.00 2.81 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 L 6.88 4.60 0.00 1.66 1.80 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.33 4.52 0.00 1.79 1.72 0.84 1.02 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 0.00 113 D 8.59 4.81 0.00 2.88 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 0.00 114 E 9.02 3.94 0.00 2.31 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 2.41 2.38 0.00 115 Q 8.20 3.92 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 116 A 8.85 4.05 1.45 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 0.00 0.00 117 Y 8.24 4.03 0.00 2.94 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 0.00 118 Q 8.35 3.81 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 119 E 8.25 3.90 0.00 2.38 2.01 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 2.33 2.19 0.00 120 F 8.01 4.10 0.00 2.99 3.08 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 0.00 121 C 7.70 3.85 0.00 2.79 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 0.00 122 A 7.63 4.04 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 0.00 123 Q 8.05 4.16 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.49 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.