NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2611 8.3444 119.6868 56.1213 29.2180 174.2403 4 T 4.1807 8.1070 117.6939 59.8315 68.7322 172.6926 5 T 4.2295 8.8710 121.1528 62.0013 69.1002 173.0531 6 Q 4.6314 8.0099 123.1036 53.0217 33.1933 175.8134 7 S 4.3678 8.2995 114.6134 57.6836 65.2142 173.3811 8 P 4.1968 0.0000 0.0000 65.9087 31.0535 178.8566 9 A 3.9509 7.9093 119.1066 54.9235 18.1910 179.4892 10 L 3.7447 8.0826 118.9587 58.1887 42.2154 178.9299 11 I 3.5296 7.6776 119.5711 64.4669 37.0546 178.1702 12 A 3.8449 7.9534 121.1444 55.4429 18.2316 179.2426 13 S 2.7900 7.5060 113.3167 61.8048 62.8782 176.9440 14 Q 3.0878 7.3958 119.9940 59.1142 28.5385 179.7182 15 S 4.1346 7.8370 115.8412 61.1529 62.8529 176.4676 16 S 4.4482 8.2220 116.4415 61.5358 62.0950 176.2250 17 W 4.5012 7.6545 121.4323 59.9875 28.8610 178.5695 18 R 3.9828 8.0740 118.1575 59.6740 29.5631 178.4272 19 C 4.2490 8.2955 116.6002 62.8663 27.9495 176.4113 20 V 3.4086 7.8687 114.0163 64.5969 30.8730 178.7212 21 Q 3.9055 7.7750 116.0654 58.3355 28.6526 177.7618 22 A 4.2355 7.8803 119.7438 52.0773 19.1295 176.6245 23 H 4.1440 7.6656 113.2114 57.3674 26.7031 176.2836 24 D 4.7335 7.8877 120.2260 52.5426 40.3875 175.1921 25 R 2.8099 7.9396 125.3950 58.6405 30.5284 177.5659 26 E 4.0487 8.0723 117.1267 59.3628 29.4304 179.1176 27 G 3.6138 8.5084 106.1817 47.1381 0.0000 175.0709 28 W 4.5162 8.4022 130.9623 60.4714 30.7618 178.1103 29 L 3.7893 8.1444 118.2397 57.1909 40.7870 179.1704 30 A 4.0604 7.6515 119.7034 54.6252 18.5008 179.2223 31 L 3.9976 7.6976 117.3007 56.1629 41.7620 176.6583 32 M 4.6515 7.0067 118.3149 53.3469 33.4982 175.9797 33 A 4.2883 8.5757 125.9541 51.5617 19.1626 178.5175 34 D 4.3704 8.6484 119.2289 56.7280 40.9889 177.9441 35 D 4.8174 7.7194 117.2558 52.5771 40.1191 176.5674 36 V 3.9355 7.3515 119.7451 62.8661 32.8657 175.0092 37 V 4.7823 8.9167 122.8325 61.3437 34.2870 174.2719 38 I 4.3294 8.6396 130.3503 60.3616 38.4015 175.2518 39 E 4.5630 9.0809 129.3711 54.3082 28.8811 173.6361 40 D 5.2387 8.0877 121.0556 51.5172 41.6008 172.8785 41 P 4.4923 0.0000 0.0000 60.1488 33.8387 175.6745 42 I 3.4888 7.7192 121.4577 62.3452 37.3288 177.6759 43 G 3.9425 8.4160 108.1634 44.9829 0.0000 173.3088 44 K 4.0253 8.1286 118.5537 56.9464 32.6256 176.4606 45 S 4.4101 8.1909 115.5686 57.4669 64.9088 176.0475 46 V 3.5824 8.6670 122.3924 66.7483 30.9505 177.0447 47 T 4.1238 7.8551 106.9614 62.8788 69.8337 173.8977 48 N 5.0483 8.1014 120.6067 51.3700 39.0182 172.4723 49 P 4.3205 0.0000 0.0000 65.8181 31.9056 178.0466 50 D 4.4106 8.1716 115.3011 53.3722 39.9427 177.5432 51 G 4.0073 8.1721 108.0500 46.2062 0.0000 174.2909 52 S 4.4103 7.8210 112.1567 57.2958 63.7837 174.1410 53 G 3.8077 8.0969 106.6381 45.0913 0.0000 172.7284 54 I 4.2486 8.8296 120.0499 59.5764 38.0902 175.4694 55 K 4.7208 8.8265 124.8606 56.0127 33.9847 177.2000 56 G 4.1055 9.1420 109.0496 45.4546 0.0000 174.2254 57 K 3.9561 8.3485 118.2960 58.9069 31.9995 179.4400 58 E 3.8927 8.1545 119.1224 59.3296 29.7349 178.5335 59 A 4.0717 7.9895 120.2701 55.2778 18.5008 179.5440 60 V 3.9086 7.9673 116.9025 66.1268 31.5219 178.5724 61 G 3.7734 8.4286 105.4642 47.6467 0.0000 175.5980 62 A 4.1532 8.1951 123.1206 54.9531 18.4160 179.4305 63 F 4.1730 9.0932 119.6068 61.4889 39.4788 177.1459 64 F 4.1706 8.9643 120.3363 61.3971 39.0353 176.7319 65 D 4.4311 8.2656 117.4426 57.7419 40.7225 178.8682 66 T 3.8063 7.6414 114.6793 66.6184 68.7052 176.1154 67 H 4.4680 7.8588 114.8727 55.7976 29.6354 175.8043 68 I 3.9604 6.8658 119.8338 62.1947 39.6907 177.1670 69 A 3.5269 7.6583 122.5229 55.1835 17.9771 178.5722 70 A 4.0132 7.4843 114.7704 53.2001 18.9809 176.4138 71 N 4.6226 7.4435 115.6191 51.9575 39.5922 175.8484 72 R 4.2769 8.7427 128.4215 56.5453 28.3378 173.7184 73 L 4.8349 8.0966 124.9787 53.2590 44.0415 174.9291 74 T 4.7591 9.0538 123.0082 61.7199 71.4381 173.0837 75 V 4.4688 8.6823 126.4922 61.4299 33.2808 174.7618 76 T 4.3411 8.5256 125.3319 61.8147 70.7620 173.2179 77 C 4.2215 8.2843 127.6616 58.6324 31.2233 172.3968 78 E 4.2804 8.9183 128.9845 58.3799 30.4214 176.1282 79 E 4.7176 7.8527 117.0076 55.4514 33.0430 174.1450 80 T 5.0978 8.4657 122.5518 61.9224 71.4620 174.1013 81 F 4.6914 9.3802 124.6135 54.7755 40.9893 173.0645 82 P 4.7284 0.0000 0.0000 62.9103 32.0081 176.9693 83 S 4.9659 7.7993 117.3410 57.9178 65.5014 174.2015 84 S 4.5678 8.8638 115.0958 58.9031 63.3421 173.4814 85 S 4.7265 7.7704 116.7839 55.8717 63.6712 172.7112 86 P 4.5662 0.0000 0.0000 64.8380 31.9787 176.8410 87 D 4.9104 8.4041 119.9687 54.5734 42.0502 175.8213 88 E 5.3190 8.0562 117.3483 54.7359 33.8960 174.4751 89 I 4.8818 8.6191 121.4604 59.8391 42.2407 173.0788 90 A 5.4966 9.0104 128.7822 50.6591 22.5349 174.7799 91 H 5.6745 9.9267 116.6504 54.2314 33.8673 172.6753 92 I 5.0080 9.2638 121.8943 60.5183 38.3967 175.1358 93 L 5.1704 9.3041 126.8189 52.7586 45.8699 175.5952 94 V 4.6693 8.5394 121.2923 61.2004 34.2512 174.2637 95 L 4.6898 8.8430 128.9142 53.6977 43.3637 175.1931 96 H 5.1230 9.4294 125.9744 54.6862 31.4404 172.9851 97 S 5.0335 8.5102 122.8580 57.1028 65.2110 173.4825 98 E 4.7464 9.0634 124.0377 54.7120 32.1220 173.8339 99 F 5.2702 8.9017 128.9975 56.1531 42.8387 174.5995 *101 G 3.3892 8.5436 110.2903 44.8897 0.0000 168.8640 102 G 3.5959 7.7352 115.7721 43.2406 0.0000 173.7940 103 F 5.0215 8.4317 117.0011 55.3732 43.6451 174.6926 104 T 5.2593 8.5521 110.0162 60.4875 72.0549 172.5118 105 S 4.8293 8.8196 114.6565 57.8623 66.9006 173.0735 106 E 5.7545 8.9566 120.7625 55.2279 33.3924 174.1286 107 V 4.5682 8.0941 124.9216 59.9594 35.1739 173.5828 108 R 5.0420 8.7033 124.1272 54.7090 31.9095 174.8246 109 G 4.3258 9.3591 112.5537 44.8998 0.0000 170.7164 110 V 4.9594 8.0912 119.6803 61.4723 33.3959 174.5726 111 F 5.5162 10.0095 126.7457 55.9597 42.4860 173.9211 112 T 5.3631 9.4200 114.5164 60.2804 71.4756 172.9661 113 Y 5.3031 9.3463 122.3817 56.1845 41.7143 174.4594 114 R 5.1768 8.9711 123.2762 54.6687 33.1355 174.6412 115 V 5.1027 8.7132 119.3366 59.4602 35.1074 175.5549 116 N 4.7263 8.9983 121.3570 51.5801 38.8791 175.8791 117 K 3.7742 8.7306 116.6261 59.8251 31.9784 178.5259 118 A 3.9812 7.9405 119.7357 53.6752 18.4472 178.1700 119 G 3.9431 8.3602 103.8829 45.1397 0.0000 173.2882 120 L 4.5176 8.0276 120.1462 53.2972 42.9890 176.0213 121 I 4.4033 8.6025 125.0387 61.8767 37.5669 176.7175 122 T 4.3746 8.9181 117.7080 62.9600 71.0285 174.7334 123 N 5.4234 7.9189 118.3031 51.4830 43.3345 173.3454 124 M 4.9615 8.9006 122.4547 53.8817 35.6811 174.0145 125 R 4.9255 8.9949 125.3530 54.3012 33.9444 174.6227 126 G 3.9547 8.8243 111.7494 44.6921 0.0000 172.2177 127 Y 4.5567 9.0997 124.8692 55.9294 37.4437 174.5475 128 W 5.3520 7.5671 119.0369 55.0792 31.8223 173.4801 129 N 5.0768 8.8063 116.8609 50.7345 40.4874 175.3305 130 L 4.3421 8.5999 117.9023 57.9643 41.9611 179.4909 131 D 4.5016 7.5907 116.5085 57.5402 40.7697 177.4681 132 M 4.2804 8.1819 116.3450 56.2504 32.4936 175.7606 133 M 4.3742 7.6104 120.0284 54.9861 33.1571 175.4235 134 T 4.1865 8.3918 116.6293 60.1010 71.2266 174.0569 135 F 5.3082 8.3196 121.8896 55.8233 38.4700 175.5515 136 G 3.8327 8.0779 110.3923 45.7233 0.0000 171.4279 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.34 4.26 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 4 T 8.11 4.18 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 5 T 8.87 4.23 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 1.21 0.00 0.00 6 Q 8.01 4.63 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 7 S 8.30 4.37 0.00 4.26 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 8 P 0.00 4.20 0.00 2.16 2.13 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 9 A 7.91 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.74 0.00 1.74 1.77 0.92 0.91 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 11 I 7.68 3.53 1.93 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 1.40 0.90 0.85 0.00 0.00 12 A 7.95 3.84 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 13 S 7.51 2.79 0.00 3.38 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.40 3.09 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 15 S 7.84 4.13 0.00 3.81 3.89 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 16 S 8.22 4.45 0.00 4.12 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 17 W 7.65 4.50 0.00 3.62 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 18 R 8.07 3.98 0.00 2.07 2.10 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 19 C 8.30 4.25 0.00 3.48 3.16 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 20 V 7.87 3.41 1.81 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 -0.09 0.00 0.00 1.04 0.00 0.00 21 Q 7.78 3.91 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 22 A 7.88 4.24 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 23 H 7.67 4.14 0.00 3.38 3.59 0.00 5.84 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.89 4.73 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.94 2.81 0.00 1.37 1.66 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.00 26 E 8.07 4.05 0.00 2.18 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 2.35 2.31 0.00 27 G 8.51 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.40 4.52 0.00 3.50 3.32 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 29 L 8.14 3.79 0.00 1.69 1.62 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.65 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 31 L 7.70 4.00 0.00 1.75 1.65 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.01 4.65 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 33 A 8.58 4.29 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 34 D 8.65 4.37 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.72 4.82 0.00 2.71 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 36 V 7.35 3.94 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 0.58 0.00 0.00 0.88 0.00 0.00 37 V 8.92 4.78 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 0.92 0.00 0.00 0.95 0.00 0.00 38 I 8.64 4.33 1.58 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 1.03 0.78 0.69 0.00 0.00 39 E 9.08 4.56 0.00 1.72 1.69 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 2.12 2.13 0.00 40 D 8.09 5.24 0.00 2.75 2.69 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 41 P 0.00 4.49 0.00 1.27 0.49 0.00 3.52 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.00 42 I 7.72 3.49 1.39 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.07 0.70 0.00 0.00 43 G 8.42 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 0.00 0.00 0.00 44 K 8.13 4.03 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.40 7.81 45 S 8.19 4.41 0.00 3.59 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.67 3.58 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 0.94 0.00 0.00 0.99 0.00 0.00 47 T 7.86 4.12 4.69 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 1.15 0.00 0.00 48 N 8.10 5.05 0.00 2.65 2.71 0.00 0.00 7.10 6.99 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 49 P 0.00 4.32 0.00 2.11 2.14 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 50 D 8.17 4.41 0.00 2.81 2.91 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 51 G 8.17 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 52 S 7.82 4.41 0.00 3.83 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.10 3.81 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 0.00 0.00 0.00 54 I 8.83 4.25 1.80 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 1.49 0.71 0.98 0.00 0.00 55 K 8.83 4.72 0.00 1.69 1.69 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.37 7.81 56 G 9.14 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 57 K 8.35 3.96 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.51 7.81 58 E 8.15 3.89 0.00 2.04 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 0.00 2.40 2.40 0.00 59 A 7.99 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.97 3.91 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 0.63 0.00 0.00 0.83 0.00 0.00 61 G 8.43 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 0.00 0.00 0.00 62 A 8.20 4.15 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.09 4.17 0.00 3.32 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 64 F 8.96 4.17 0.00 3.77 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 65 D 8.27 4.43 0.00 2.98 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 66 T 7.64 3.81 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 0.82 0.00 0.00 67 H 7.86 4.47 0.00 2.10 2.99 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 6.87 3.96 0.93 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.40 0.46 0.00 0.00 69 A 7.66 3.53 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 70 A 7.48 4.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.44 4.62 0.00 2.60 2.75 0.00 0.00 7.09 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 72 R 8.74 4.28 0.00 1.93 2.06 0.00 3.31 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 73 L 8.10 4.83 0.00 1.91 1.56 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 T 9.05 4.76 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 1.15 0.00 0.00 75 V 8.68 4.47 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 -0.06 0.00 0.00 0.77 0.00 0.00 76 T 8.53 4.34 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 77 C 8.28 4.22 0.00 2.07 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 78 E 8.92 4.28 0.00 1.99 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 2.34 2.27 0.00 79 E 7.85 4.72 0.00 2.06 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 1.80 2.14 0.00 80 T 8.47 5.10 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 1.25 0.00 0.00 81 F 9.38 4.69 0.00 3.01 3.01 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 82 P 0.00 4.73 0.00 1.97 2.01 0.00 3.68 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 2.03 2.10 0.00 83 S 7.80 4.97 0.00 3.93 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 84 S 8.86 4.57 0.00 3.89 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 85 S 7.77 4.73 0.00 3.90 3.73 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 86 P 0.00 4.57 0.00 2.15 2.28 0.00 3.74 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 2.00 0.00 87 D 8.40 4.91 0.00 2.65 2.92 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 88 E 8.06 5.32 0.00 1.95 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 2.25 2.26 0.00 89 I 8.62 4.88 1.91 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 1.10 1.57 1.00 0.00 0.00 90 A 9.01 5.50 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 91 H 9.93 5.67 0.00 3.35 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 9.26 5.01 2.05 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 1.07 0.00 0.00 93 L 9.30 5.17 0.00 1.38 1.14 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.54 4.67 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 1.04 0.00 0.00 0.90 0.00 0.00 95 L 8.84 4.69 0.00 1.40 1.38 0.48 0.48 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 96 H 9.43 5.12 0.00 3.13 3.12 0.00 5.76 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.51 5.03 0.00 3.77 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 98 E 9.06 4.75 0.00 1.97 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 2.21 2.25 0.00 99 F 8.90 5.27 0.00 2.93 2.92 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 *101 G 8.54 3.39 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 0.00 102 G 7.74 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 0.00 103 F 8.43 5.02 0.00 3.05 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 0.00 104 T 8.55 5.26 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 1.26 0.00 0.00 105 S 8.82 4.83 0.00 3.77 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.96 5.75 0.00 2.00 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 2.13 2.17 0.00 107 V 8.09 4.57 1.71 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 0.04 0.00 0.00 0.80 0.00 0.00 108 R 8.70 5.04 0.00 1.81 1.85 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 109 G 9.36 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.09 4.96 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 0.86 0.00 0.00 0.87 0.00 0.00 111 F 10.01 5.52 0.00 3.29 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 0.00 112 T 9.42 5.36 4.39 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 1.38 0.00 0.00 113 Y 9.35 5.30 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.97 5.18 0.00 2.04 1.76 0.00 3.05 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 115 V 8.71 5.10 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 0.81 0.00 0.00 1.00 0.00 0.00 116 N 9.00 4.73 0.00 2.89 2.97 0.00 0.00 7.16 7.26 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 0.00 117 K 8.73 3.77 0.00 1.76 1.93 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 118 A 7.94 3.98 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 0.00 119 G 8.36 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 0.00 0.00 0.00 120 L 8.03 4.52 0.00 1.90 1.62 0.89 0.77 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 0.00 121 I 8.60 4.40 1.80 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 1.39 0.52 0.98 0.00 0.00 122 T 8.92 4.37 4.22 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 1.20 0.00 0.00 123 N 7.92 5.42 0.00 2.60 2.66 0.00 0.00 6.53 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 0.00 124 M 8.90 4.96 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 2.12 0.00 125 R 8.99 4.93 0.00 1.75 1.57 0.00 3.12 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 126 G 8.82 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 9.10 4.56 0.00 2.74 2.87 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 0.00 128 W 7.57 5.35 0.00 3.31 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 0.00 129 N 8.81 5.08 0.00 2.92 2.85 0.00 0.00 5.96 6.67 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 0.00 130 L 8.60 4.34 0.00 1.87 1.98 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.59 4.50 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 M 8.18 4.28 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.52 0.00 133 M 7.61 4.37 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.61 0.00 134 T 8.39 4.19 4.17 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 1.14 0.00 0.00 135 F 8.32 5.31 0.00 2.85 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 0.00 136 G 8.08 3.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.