NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3309 8.3344 116.7809 58.5374 64.1728 173.8414 3 S 4.2586 8.1643 117.9646 55.1918 60.8039 172.4051 4 Q 4.5818 8.6002 129.9494 55.9292 29.6740 176.2523 5 T 4.5010 7.6376 111.0294 63.9823 70.2831 175.2342 6 E 4.0452 8.1277 123.5214 57.1212 30.7489 175.8983 7 R 5.0589 8.4145 123.5592 54.8826 34.0125 174.3318 8 T 4.6944 8.8512 117.8920 60.3010 71.1331 172.1992 9 F 5.4073 8.6901 126.7706 56.8064 41.5035 174.2009 10 I 4.4714 8.6102 127.0251 59.3902 39.9972 174.2566 11 A 4.8018 8.0461 129.2709 49.6942 22.0008 175.3659 12 V 4.1696 8.6288 122.5373 61.6898 32.6784 175.9476 13 K 4.1198 8.4743 127.7329 56.1365 33.1334 176.4834 14 P 4.5687 0.0000 0.0000 64.0245 31.7651 178.5425 15 D 4.5462 8.5432 119.3674 56.6450 39.2631 178.8536 16 G 3.9718 7.8411 107.5680 46.7835 0.0000 175.6314 17 V 3.5568 7.6203 121.1731 65.6939 31.4728 178.2481 18 Q 4.0972 8.0781 116.0226 58.3636 28.5859 178.1035 19 R 4.3756 7.8203 117.1381 56.0262 30.5164 177.2442 20 G 3.8662 7.8901 107.1278 46.0705 0.0000 174.4556 21 L 4.1690 7.8412 118.0027 54.4588 41.5148 178.5514 22 V 3.5486 7.5310 119.7113 66.4726 31.4774 178.1099 23 S 4.1359 7.8955 114.1144 61.3919 62.5969 176.0079 24 Q 3.9789 8.0495 120.8975 59.5127 29.0120 178.3696 25 I 3.9237 7.9832 120.5814 64.6332 37.2850 178.4263 26 L 4.2450 8.1892 119.6038 57.8732 41.3819 179.7155 27 S 4.2160 8.3154 115.3421 62.0505 62.3395 177.1456 28 R 4.0804 8.0355 120.1194 58.8449 29.5360 179.3277 29 F 3.5447 8.0150 117.2859 60.1116 39.0251 176.8336 30 E 4.2606 8.1641 119.1936 59.7589 29.1940 179.2934 31 K 4.0807 8.3938 117.2561 59.4766 32.8350 178.6461 32 K 3.8303 7.3047 119.3310 57.6815 32.0083 177.1507 33 G 4.0156 7.5558 105.2215 45.2048 0.0000 173.3423 34 Y 5.0454 7.9290 118.2751 57.6111 40.0466 174.3428 35 K 4.8973 9.0051 122.2865 54.5884 34.3086 175.0448 36 L 3.4643 8.9358 130.2432 54.9825 42.3786 176.5222 37 V 4.6175 8.0452 122.4243 62.6347 34.2359 174.4365 38 A 4.4701 7.2563 119.0432 51.7528 22.1300 174.8733 39 I 4.9008 8.3490 116.5563 60.3188 41.0746 173.4577 40 K 4.7170 9.0950 126.9870 55.8567 36.4381 173.9619 41 L 5.2566 8.4272 123.3359 53.5119 43.8215 175.9018 42 V 4.5515 8.6062 124.7951 60.1348 35.2279 173.4909 43 K 4.6113 8.6531 125.3954 55.1542 32.8523 176.2511 44 A 4.0161 8.6243 130.8497 52.1498 19.2606 176.0985 45 D 4.6146 8.2007 121.1515 53.2561 42.7989 176.7323 46 D 4.3910 8.8618 125.5353 58.3381 40.6548 179.1153 47 K 4.0368 8.1420 118.5063 58.3128 31.9204 178.9598 48 L 3.5705 7.4392 121.5108 58.2622 42.6106 179.3626 49 L 4.1359 8.0267 118.7992 57.7463 41.6783 178.8197 50 E 4.2062 7.9349 116.7436 58.2827 29.5657 177.4195 51 Q 4.3444 7.5168 117.9805 58.8335 29.7840 176.0485 52 H 4.1942 8.0950 119.2560 58.7449 31.2930 175.6911 53 Y 4.6820 7.7066 119.6394 57.2789 36.1499 177.7395 54 A 4.2212 7.6826 123.2630 51.5732 18.3275 178.8163 *62 F 4.8070 8.0894 114.8864 56.7010 39.9102 174.8402 63 P 4.1071 0.0000 0.0000 65.9069 31.0652 177.5610 64 K 4.1570 7.8506 115.5329 58.8123 32.6509 178.4471 65 M 4.2326 8.4022 119.2304 58.6412 32.1609 177.5034 66 V 3.5559 7.6508 118.1318 66.5469 31.3217 177.3223 67 S 4.3769 7.6981 113.5912 59.7026 63.4858 175.6727 68 F 4.4411 7.8621 124.3245 62.0597 39.0922 176.9798 69 M 3.6174 7.7331 116.3634 57.8670 32.1269 178.4488 70 K 4.1889 7.9194 118.1903 58.3732 32.3069 178.4144 71 S 4.5928 7.8410 112.8436 59.0058 63.1598 173.3724 72 G 4.0778 7.1347 109.5183 43.8654 0.0000 170.3974 73 P 4.7976 0.0000 0.0000 62.1866 33.7078 174.9858 74 I 4.4304 8.6947 120.8470 59.4098 40.7528 174.9490 75 L 4.8294 8.3901 129.6966 54.0641 42.5806 174.8324 76 A 4.5757 8.5713 129.2876 51.3786 19.8212 176.2018 77 T 5.2026 8.5892 112.3170 59.9104 73.1398 173.0249 78 V 4.9079 8.4028 121.9763 60.9324 35.0452 174.2221 79 W 5.3829 9.0950 126.6570 54.9979 32.6557 174.0255 80 E 5.0180 10.5428 125.9660 54.3353 31.3796 174.7401 81 G 4.6334 7.9912 113.0817 43.1669 0.0000 172.8008 82 K 3.9762 8.3371 123.1622 57.5365 32.6917 176.0364 83 D 4.6911 9.0470 123.9306 54.9017 40.1092 175.8923 84 V 3.6825 7.7020 120.3152 63.6647 31.3104 177.2303 85 V 3.5661 7.8947 118.4441 66.0130 31.4566 178.0421 86 R 3.9458 7.9473 117.8233 59.5826 30.0066 178.4068 87 Q 4.1640 8.6388 118.2022 58.5100 28.5357 178.8156 88 G 3.7065 8.5081 107.5258 48.0551 0.0000 175.7104 89 R 3.9749 8.1891 121.3893 59.1627 29.8709 179.2940 90 T 3.8162 7.7504 114.2638 66.8803 68.8107 176.4262 91 I 3.7223 8.0409 121.9587 64.4480 36.9370 178.5818 92 L 4.0955 8.3515 120.3291 54.9508 41.4078 178.5126 93 G 4.1841 7.8046 102.3051 44.4060 0.0000 172.3362 94 A 3.9648 8.2859 120.5858 52.3528 18.8214 178.1665 95 T 3.9153 8.5804 112.2817 64.5309 69.3362 174.2425 96 N 4.4939 8.0818 122.3711 52.1390 38.7558 172.9114 97 P 4.7955 0.0000 0.0000 65.2241 31.5302 178.3194 98 L 4.2469 8.1243 114.1319 55.7650 41.1083 178.0603 99 G 4.1592 8.1363 104.8809 45.7466 0.0000 173.2959 100 S 4.4777 7.9773 114.9818 57.0022 64.4783 173.5285 101 A 4.6153 8.0945 124.2701 50.4774 19.7543 175.5476 102 P 4.4388 0.0000 0.0000 63.7763 31.9452 176.8923 103 G 3.9716 9.4505 110.5619 45.4387 0.0000 174.4923 104 T 4.6045 7.2814 109.9423 60.0980 72.1990 175.8112 105 I 3.9164 8.3334 122.9809 64.7993 37.1371 179.1932 106 R 4.1562 8.5577 119.5046 59.0518 29.6828 179.1004 107 G 3.7021 7.8391 103.8109 46.9121 0.0000 175.2167 108 D 4.2350 7.9223 120.5765 55.9810 41.0630 177.1653 109 F 4.9487 7.9397 114.9791 56.8512 41.0339 175.5049 110 G 4.3762 7.9556 108.8935 43.8081 0.0000 173.1030 111 I 4.3571 8.2735 118.5697 61.6424 40.3792 175.5773 112 D 4.8288 7.7876 119.3653 51.9228 42.7044 176.0691 113 L 3.9078 8.9592 128.9073 58.4227 42.0156 178.6460 114 G 3.6375 7.9355 105.9146 47.5135 0.0000 173.8594 115 R 4.5647 7.7322 119.2820 53.8775 29.7419 175.2027 116 N 4.9588 8.0799 120.0616 52.2780 38.8135 177.2358 117 V 3.9217 8.9553 125.5605 64.7105 31.9126 170.8200 118 C 5.3770 7.5969 109.9391 57.3748 32.9836 172.0532 119 H 5.0588 9.5286 118.6275 54.3879 32.7215 172.3345 120 G 4.6660 8.2362 109.7247 44.7032 0.0000 172.0143 121 S 4.8527 8.3085 115.1507 58.1738 64.0852 175.1225 122 D 4.8909 8.7654 119.5497 53.6190 40.6664 176.6332 123 S 4.6383 7.6479 113.1463 55.6459 66.7138 173.9066 124 V 3.5609 8.5347 126.5265 66.7178 31.0338 177.9653 125 D 4.4078 8.2054 117.5749 57.8229 40.5895 178.7930 126 S 4.1706 8.0867 114.6414 61.3668 62.8523 175.9921 127 A 4.2767 8.5828 124.8507 54.7927 18.3060 179.3310 128 E 3.8402 8.3446 117.3360 59.4231 29.5674 179.0107 129 R 3.9040 7.7790 118.8636 59.3499 30.1498 178.3167 130 E 3.9855 8.2878 118.4516 59.4590 29.5157 179.2597 131 I 3.7783 8.3519 120.1528 64.7212 37.0705 178.2959 132 N 4.8504 7.8930 114.6902 55.3941 38.2992 177.0225 133 L 4.0552 7.4067 121.7516 57.8939 42.4927 178.6102 134 W 3.8987 8.0442 117.4281 58.0333 29.2184 176.3754 135 F 5.0840 8.1933 115.8745 55.5168 42.2203 174.5054 136 K 4.4793 8.9232 122.5331 55.3729 32.7507 178.6377 137 K 4.1151 8.5371 119.7817 59.6326 32.3719 179.5504 138 E 4.0227 8.3818 117.5199 59.5233 29.4381 178.2789 139 E 4.1009 7.7338 115.6812 58.8582 29.7262 177.2011 140 L 4.4410 7.3596 118.3546 54.0315 42.3886 176.7108 141 V 4.4329 8.7632 124.9195 61.5297 32.9245 174.6759 142 D 5.3931 8.7666 126.3680 51.4614 41.7939 174.8724 143 W 5.2473 8.4895 117.3803 54.9366 31.4770 173.3145 144 E 4.1977 8.5943 119.6332 54.5253 30.2303 175.4444 145 S 4.1253 7.9554 120.9628 57.6829 63.1868 173.8893 146 N 4.3643 9.2627 126.5770 57.2165 38.8451 176.3839 147 Q 4.3146 8.2325 115.4866 57.5072 28.7169 177.7765 148 A 4.0365 8.1877 123.7684 55.3608 18.2056 179.6947 149 K 3.7949 8.1463 114.5594 58.9392 32.4126 177.1616 150 W 4.7357 8.0693 117.4884 56.5271 30.4118 176.1771 151 I 4.1527 7.7126 118.5953 61.8524 37.7001 175.6337 152 Y 5.0473 7.4559 115.8901 55.8786 41.6048 174.9245 153 E 4.1681 8.9833 121.5903 56.8131 29.5761 176.8744 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 4.33 0.00 3.87 3.76 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 3 S 8.16 4.26 0.00 3.86 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 4 Q 8.60 4.58 0.00 1.66 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.78 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 5 T 7.64 4.50 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 1.17 0.00 0.00 6 E 8.13 4.05 0.00 2.02 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 2.37 2.36 0.00 7 R 8.41 5.06 0.00 1.67 1.77 0.00 3.19 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 8 T 8.85 4.69 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 1.31 0.00 0.00 9 F 8.69 5.41 0.00 3.15 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 10 I 8.61 4.47 1.71 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 0.99 -0.05 0.50 0.00 0.00 11 A 8.05 4.80 0.52 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 0.00 0.00 12 V 8.63 4.17 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 0.99 0.00 0.00 0.88 0.00 0.00 13 K 8.47 4.12 0.00 2.14 1.83 0.00 2.03 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.41 7.81 14 P 0.00 4.57 0.00 1.99 2.02 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 15 D 8.54 4.55 0.00 2.98 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 16 G 7.84 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 17 V 7.62 3.56 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 1.01 0.00 0.00 1.01 0.00 0.00 18 Q 8.08 4.10 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 19 R 7.82 4.38 0.00 1.96 1.96 0.00 3.36 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 20 G 7.89 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 21 L 7.84 4.17 0.00 1.64 1.28 0.62 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.53 3.55 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 1.08 0.00 0.00 0.91 0.00 0.00 23 S 7.90 4.14 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.05 3.98 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 1.93 2.45 0.00 25 I 7.98 3.92 2.08 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 1.57 0.72 0.93 0.00 0.00 26 L 8.19 4.24 0.00 1.96 2.05 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.32 4.22 0.00 4.15 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 28 R 8.04 4.08 0.00 1.70 1.83 0.00 3.29 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 29 F 8.02 3.54 0.00 1.67 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 30 E 8.16 4.26 0.00 2.38 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 2.44 2.54 0.00 31 K 8.39 4.08 0.00 1.87 1.93 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.36 7.81 32 K 7.30 3.83 0.00 1.53 1.59 0.00 1.36 0.00 0.00 1.39 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.51 0.81 7.81 33 G 7.56 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 0.00 0.00 0.00 34 Y 7.93 5.05 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 35 K 9.01 4.90 0.00 1.93 1.76 0.00 0.69 0.00 0.00 1.28 0.00 0.00 2.74 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.94 0.58 7.81 36 L 8.94 3.46 0.00 0.99 1.36 -0.28 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.05 4.62 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 0.80 0.00 0.00 1.02 0.00 0.00 38 A 7.26 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.35 4.90 1.75 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 1.41 0.62 0.84 0.00 0.00 40 K 9.09 4.72 0.00 1.88 1.93 0.00 1.30 0.00 0.00 1.72 0.00 0.00 2.48 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 L 8.43 5.26 0.00 1.65 1.60 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.61 4.55 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 1.06 0.00 0.00 0.92 0.00 0.00 43 K 8.65 4.61 0.00 1.78 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 44 A 8.62 4.02 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 45 D 8.20 4.61 0.00 2.60 2.50 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 46 D 8.86 4.39 0.00 2.76 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 47 K 8.14 4.04 0.00 1.68 1.71 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.38 7.81 48 L 7.44 3.57 0.00 1.32 1.46 -0.32 0.32 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 49 L 8.03 4.14 0.00 1.84 1.77 0.97 0.80 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 50 E 7.93 4.21 0.00 2.25 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 2.45 2.41 0.00 51 Q 7.52 4.34 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 52 H 8.10 4.19 0.00 3.23 3.38 0.00 6.00 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.71 4.68 0.00 3.22 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 54 A 7.68 4.22 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 *62 F 8.09 4.81 0.00 3.21 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 63 P 0.00 4.11 0.00 2.04 2.18 0.00 3.81 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.33 0.00 64 K 7.85 4.16 0.00 1.71 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 65 M 8.40 4.23 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 66 V 7.65 3.56 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 0.94 0.00 0.00 0.51 0.00 0.00 67 S 7.70 4.38 0.00 4.07 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 68 F 7.86 4.44 0.00 3.15 3.33 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 69 M 7.73 3.62 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.05 0.00 70 K 7.92 4.19 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.66 7.81 71 S 7.84 4.59 0.00 4.05 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 0.00 72 G 7.13 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 73 P 0.00 4.80 0.00 2.13 2.19 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 74 I 8.69 4.43 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.03 0.88 0.00 0.00 75 L 8.39 4.83 0.00 1.71 1.54 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.57 4.58 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 77 T 8.59 5.20 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 1.19 0.00 0.00 78 V 8.40 4.91 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 0.94 0.00 0.00 0.45 0.00 0.00 79 W 9.09 5.38 0.00 3.25 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 80 E 10.54 5.02 0.00 2.04 1.77 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 2.25 2.30 0.00 81 G 7.99 4.63 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 82 K 8.34 3.98 0.00 1.66 1.99 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.40 7.81 83 D 9.05 4.69 0.00 2.90 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 84 V 7.70 3.68 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 1.22 0.00 0.00 0.35 0.00 0.00 85 V 7.89 3.57 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 0.97 0.00 0.00 86 R 7.95 3.95 0.00 1.92 2.09 0.00 3.42 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 87 Q 8.64 4.16 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 88 G 8.51 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 0.00 0.00 0.00 89 R 8.19 3.97 0.00 1.99 2.05 0.00 3.34 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 90 T 7.75 3.82 4.38 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 1.17 0.00 0.00 91 I 8.04 3.72 1.69 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.63 0.00 0.00 92 L 8.35 4.10 0.00 1.85 1.77 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.80 4.18 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 0.00 94 A 8.29 3.96 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 95 T 8.58 3.92 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 1.28 0.00 0.00 96 N 8.08 4.49 0.00 2.76 2.78 0.00 0.00 7.16 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 97 P 0.00 4.80 0.00 2.31 2.17 0.00 4.02 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 98 L 8.12 4.25 0.00 1.77 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.14 4.16 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 0.00 100 S 7.98 4.48 0.00 4.05 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 0.00 101 A 8.09 4.62 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 0.00 102 P 0.00 4.44 0.00 2.00 1.93 0.00 3.61 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 1.98 2.03 0.00 103 G 9.45 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 0.00 104 T 7.28 4.60 4.38 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 1.27 0.00 0.00 105 I 8.33 3.92 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.02 1.08 0.00 0.00 106 R 8.56 4.16 0.00 1.85 2.02 0.00 3.34 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 107 G 7.84 3.70 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 0.00 0.00 0.00 108 D 7.92 4.23 0.00 1.98 1.59 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 F 7.94 4.95 0.00 3.23 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 0.00 110 G 7.96 4.38 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 0.00 111 I 8.27 4.36 1.88 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 1.31 0.74 0.91 0.00 0.00 112 D 7.79 4.83 0.00 2.64 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 0.00 113 L 8.96 3.91 0.00 1.64 1.72 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.94 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 0.00 0.00 0.00 115 R 7.73 4.56 0.00 1.74 2.05 0.00 3.14 0.00 0.00 2.53 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 116 N 8.08 4.96 0.00 2.85 3.16 0.00 0.00 6.33 7.68 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 0.00 117 V 8.96 3.92 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 0.97 0.00 0.00 1.06 0.00 0.00 118 C 7.60 5.38 0.00 3.09 2.86 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 0.00 119 H 9.53 5.06 0.00 3.28 3.11 0.00 5.72 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 0.00 120 G 8.24 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 0.00 0.00 0.00 0.00 121 S 8.31 4.85 0.00 3.98 3.94 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 0.00 0.00 0.00 122 D 8.77 4.89 0.00 2.81 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 0.00 123 S 7.65 4.64 0.00 3.89 3.76 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 0.00 124 V 8.53 3.56 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 1.02 0.00 0.00 0.95 0.00 0.00 125 D 8.21 4.41 0.00 2.74 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 0.00 126 S 8.09 4.17 0.00 4.18 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 0.00 127 A 8.58 4.28 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 0.00 128 E 8.34 3.84 0.00 2.19 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 0.00 2.32 2.33 0.00 129 R 7.78 3.90 0.00 1.95 2.04 0.00 3.30 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 1.62 1.81 0.00 130 E 8.29 3.99 0.00 2.29 1.67 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 2.29 2.43 0.00 131 I 8.35 3.78 1.90 0.00 0.00 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 1.62 0.83 0.93 0.00 0.00 132 N 7.89 4.85 0.00 2.89 2.90 0.00 0.00 7.07 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 0.00 133 L 7.41 4.06 0.00 1.66 1.90 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.04 3.90 0.00 3.16 2.79 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 0.00 0.00 0.00 135 F 8.19 5.08 0.00 2.89 2.94 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 0.00 0.00 0.00 136 K 8.92 4.48 0.00 1.92 1.75 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 137 K 8.54 4.12 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 138 E 8.38 4.02 0.00 1.98 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 2.33 2.36 0.00 139 E 7.73 4.10 0.00 2.38 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 0.00 2.45 2.37 0.00 140 L 7.36 4.44 0.00 1.54 1.53 0.89 0.53 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 0.00 141 V 8.76 4.43 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 0.88 0.00 0.00 142 D 8.77 5.39 0.00 2.70 2.61 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 0.00 143 W 8.49 5.25 0.00 3.53 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 0.00 144 E 8.59 4.20 0.00 1.94 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 2.21 2.23 0.00 145 S 7.96 4.13 0.00 3.32 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 0.00 146 N 9.26 4.36 0.00 2.83 3.00 0.00 0.00 7.19 7.08 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 0.00 147 Q 8.23 4.31 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 148 A 8.19 4.04 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 0.00 149 K 8.15 3.79 0.00 1.43 1.79 0.00 1.32 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.41 1.60 7.81 150 W 8.07 4.74 0.00 3.40 3.15 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 0.00 151 I 7.71 4.15 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 -0.35 0.00 0.00 152 Y 7.46 5.05 0.00 3.00 2.66 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 0.00 0.00 0.00 0.00 153 E 8.98 4.17 0.00 2.00 1.88 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 2.34 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.