NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6802 8.4201 119.2108 53.5039 40.4188 175.0166 0 A 4.1219 8.0420 120.4456 53.8207 19.9635 177.0526 2 R 4.6295 7.9730 111.4229 55.3652 35.7957 172.3677 3 I 4.7024 8.1506 123.3899 60.0961 40.3462 174.3801 4 G 4.5520 8.7501 113.3455 45.1121 0.0000 170.9921 5 H 5.4655 8.8772 121.3126 54.0901 33.0124 172.5832 6 G 4.3366 8.8778 111.5551 44.7503 0.0000 171.4052 7 F 5.3679 8.3509 121.4639 57.2120 42.3395 172.7522 8 D 4.5844 8.5433 125.2509 52.6687 45.0069 174.2741 9 V 4.8468 7.7840 115.5950 60.0538 36.1234 174.3352 10 H 4.8635 8.6830 119.9820 53.6875 33.0053 172.9559 11 K 4.4111 8.4925 123.3864 56.0881 33.4841 176.0504 12 F 4.8315 8.9345 125.8756 57.6077 39.4166 177.2547 13 G 3.9581 9.2326 114.7021 45.5160 0.0000 171.9234 14 E 4.3142 8.4828 122.6411 55.8643 31.2247 176.2721 15 N 4.9220 8.4425 114.2023 53.7892 40.5349 176.6040 16 G 3.8708 8.2528 113.0369 46.2444 0.0000 175.1676 17 S 4.3605 8.6649 118.8942 55.1723 65.8506 175.3289 18 G 4.2341 8.3943 116.9987 46.4204 0.0000 172.0860 19 P 4.6548 0.0000 0.0000 60.0971 32.2262 176.0860 20 L 4.0632 8.9778 124.3333 56.8072 40.9803 175.8291 21 I 4.9593 8.3918 123.4940 59.8823 39.1821 174.8901 22 I 4.6861 8.7086 119.9609 60.3507 40.5912 175.2752 23 G 4.0082 9.9222 110.2874 46.7636 0.0000 173.7162 24 G 3.8808 8.9824 103.8370 45.5557 0.0000 174.0679 25 V 4.2477 7.9177 119.4758 60.5290 33.6343 174.4542 26 R 4.5735 8.4543 127.0471 55.4152 30.6180 175.1434 27 I 4.3948 8.0218 128.1800 58.6550 38.9591 174.2839 28 P 4.4753 0.0000 0.0000 62.9680 31.7644 175.3017 29 Y 4.7058 8.1056 121.9506 56.8782 41.2616 173.8354 30 E 4.0217 7.6420 122.7666 57.4941 30.2610 176.7048 31 K 4.5802 7.1778 117.5434 54.9253 35.7916 175.3385 32 G 4.2955 8.3897 107.1871 44.7849 0.0000 172.0804 33 L 5.0057 8.4283 119.1907 53.8820 43.1754 177.1159 34 L 4.6242 8.9297 122.7988 53.6841 41.0184 175.8259 35 A 4.7344 8.1471 124.5119 50.5940 22.5860 176.3159 36 H 4.3201 9.1611 118.6664 57.9466 30.6744 174.7245 37 S 5.2763 7.2422 115.4034 56.8812 64.6584 174.0649 38 D 4.1780 8.7483 118.3915 55.2634 39.1732 176.6281 39 G 3.4212 7.4546 106.1977 47.0971 0.0000 174.8954 40 D 4.8240 7.3722 120.7226 51.3282 41.2558 175.0482 41 V 3.7106 8.0336 119.8998 63.9006 31.6975 177.8927 42 A 3.9431 7.8926 120.2054 55.1035 18.3818 179.5493 43 L 3.9475 7.9386 117.0746 57.9580 41.6347 179.1390 44 H 4.1722 8.3267 116.2924 59.2045 28.7482 177.7012 45 A 3.9635 8.1858 121.9804 54.9233 18.1196 179.6051 46 A 3.9356 8.0090 119.5051 55.4819 18.3756 179.9252 47 T 3.8475 8.4281 114.6061 66.9930 68.5201 176.4692 48 D 4.3489 8.3270 120.5486 57.2615 40.7446 178.5668 49 A 4.0973 7.9842 121.1151 55.3138 18.4034 179.3234 50 L 3.9428 7.9904 117.0695 58.3488 41.7892 180.0435 51 L 4.1367 8.3822 118.9677 57.6589 41.5267 179.9289 52 G 3.5410 8.5428 106.0025 47.6904 0.0000 175.6284 53 A 4.7464 8.3006 123.6518 54.2789 18.4720 178.8781 54 A 3.9064 7.8022 115.2920 51.5757 19.3927 177.6011 55 A 3.6812 7.2217 120.6975 54.1694 16.4121 177.6171 56 L 4.6398 8.8472 118.2903 54.2759 43.9831 177.6800 57 G 3.9811 9.7074 111.4478 44.5601 0.0000 176.5854 58 D 4.5900 8.2786 125.0240 52.0718 41.7441 174.4155 59 I 3.7605 8.6572 112.0668 64.2201 37.6783 178.2073 60 G 3.8696 8.4608 110.0080 48.5011 0.0000 175.3487 61 K 3.8627 8.0264 117.7413 57.6173 32.2578 177.8157 62 L 4.1124 6.7933 117.5237 55.1380 42.9287 176.7109 63 F 4.5613 7.7558 117.0007 53.5162 39.0928 170.8318 64 P 4.1341 0.0000 0.0000 62.5485 31.8177 176.8813 65 D 4.4975 8.9062 123.3999 57.3987 41.5600 177.3019 66 T 3.9039 8.0587 108.3672 64.4035 68.8346 173.9954 67 D 4.3556 7.8867 121.5056 53.8067 41.3832 175.2812 68 P 4.3770 0.0000 0.0000 64.5840 31.5776 178.0534 69 A 3.9011 7.8702 120.2495 53.8724 18.3849 177.8701 70 F 4.9237 7.5429 114.0346 56.8852 39.5770 175.0515 71 K 3.9408 7.7940 121.0966 57.7799 31.1660 177.5891 72 G 3.8431 8.8357 112.7977 44.9239 0.0000 172.7310 73 A 3.9985 7.2915 122.2059 52.4304 19.1600 177.6717 74 D 4.4444 8.5434 119.9953 54.1368 42.3605 177.8354 75 S 4.1957 8.7158 123.2898 61.4711 62.8573 176.8013 76 R 4.0292 8.5381 121.4542 58.7594 29.7308 179.0986 77 G 3.5576 7.9512 105.2313 47.7451 0.0000 175.6006 78 L 3.3897 7.5497 121.2448 57.0257 41.5983 179.1017 79 L 3.9751 7.9851 120.3942 58.5637 42.0084 179.3820 80 R 4.0263 8.1258 117.7372 59.0957 29.9438 178.7874 81 E 3.9443 8.4785 118.9778 59.3392 29.7835 178.3837 82 A 4.1444 8.5029 121.2270 55.8189 18.3799 179.0583 83 Y 4.2421 8.3523 117.7270 60.6408 38.8411 177.6589 84 R 3.8504 8.0947 119.7528 59.6894 30.2002 178.7296 85 R 3.9305 8.0574 117.6169 59.2571 29.9865 179.0973 86 I 3.7769 7.7583 119.5903 64.2933 37.0991 178.4078 87 L 4.3913 8.3223 121.2224 57.2913 41.2298 179.1202 88 A 3.9805 7.7132 119.2598 55.3666 18.2694 178.9880 89 K 4.2957 7.5402 112.9799 56.3430 32.3751 177.8551 90 G 3.6369 8.5835 108.3127 45.6061 0.0000 172.6643 91 Y 5.3221 7.3462 116.3505 56.1055 41.7549 174.5050 92 K 4.9035 8.7297 120.0890 54.7356 36.2699 174.8805 93 L 3.9789 8.9355 129.1040 55.8738 42.0156 176.3108 94 G 4.0250 9.5826 115.7901 47.2031 0.0000 173.5213 95 N 5.2785 7.6244 114.3027 50.8998 41.7777 172.4073 96 L 5.1941 8.9234 120.6665 53.3109 45.8300 174.4369 97 D 5.3425 9.2631 125.1822 52.5601 44.4424 174.1399 98 I 5.0864 8.8057 126.1406 59.7770 41.0319 174.6732 99 T 4.9833 8.9914 122.2748 61.8338 71.6400 173.2865 100 I 4.3859 9.0730 128.6142 60.8400 39.0120 175.1971 101 I 4.9892 9.0627 127.4698 59.7986 39.5330 174.5236 102 A 4.7661 8.6321 127.7643 51.1508 22.5203 176.9830 103 Q 3.9220 9.1096 121.8130 58.4020 29.1493 176.3645 104 A 4.6617 7.4505 117.2595 49.5597 22.3663 173.5124 105 P 4.5213 0.0000 0.0000 61.7078 32.6313 175.6458 106 K 4.1140 8.0981 117.5589 56.0091 33.4407 176.6071 *108 A 4.3789 8.3179 120.5054 52.3888 20.0235 177.4185 109 P 4.3225 0.0000 0.0000 64.8512 31.4146 177.0726 110 H 4.7946 7.8472 113.8684 55.6761 29.7435 176.7793 111 I 3.6412 7.5660 120.6101 63.8471 37.4255 175.6210 112 P 4.3801 0.0000 0.0000 65.7943 31.4124 179.3922 113 Q 4.3282 7.5181 118.4247 56.2220 28.4481 178.1967 *115 R 4.2103 8.2034 116.4570 55.8599 32.3996 177.9332 116 V 3.5673 7.9247 116.9900 66.3644 31.3275 177.8081 117 N 4.3268 8.2075 115.7787 56.3592 38.4003 177.5115 118 L 3.9327 7.8102 119.6325 57.6794 41.8143 179.1657 119 A 4.0808 8.3253 121.1451 54.8753 18.2861 179.3698 120 E 3.8402 8.1926 117.9054 59.7696 29.5875 178.9421 121 D 4.3589 7.9525 117.3632 56.7598 41.0368 177.2229 122 L 3.6338 8.2613 117.0260 53.3151 42.0584 176.8960 123 Q 3.3309 7.5122 116.0184 56.2184 26.2243 171.4802 124 C 4.7723 8.3554 111.9036 57.3315 34.5302 176.0332 125 H 4.8347 8.1977 126.9013 56.1962 28.1047 177.2965 *127 D 4.5457 8.6217 116.3407 53.7252 42.4473 175.3062 128 D 4.7528 8.1011 118.6151 53.9269 41.1375 175.3103 129 I 4.8947 7.4734 120.2190 59.4020 39.9963 174.2700 130 N 5.0348 9.1214 125.6079 51.6362 41.9066 173.0906 131 V 4.8764 8.4407 124.7436 61.1105 34.6469 174.4854 132 K 4.8611 9.1112 125.1929 54.5947 36.4139 174.9442 133 A 5.4267 8.5224 122.9694 50.7440 22.4930 175.1347 134 T 4.7542 8.7465 108.3698 60.8659 72.8230 172.8796 135 T 4.9082 8.6329 112.5599 59.2417 71.8664 173.9478 136 T 4.4824 8.1180 108.7469 61.5455 69.2024 174.3251 137 E 3.8774 8.8863 118.2389 58.7192 27.6169 175.6731 138 Q 3.8423 8.3949 113.0944 56.4014 26.2723 173.4695 139 L 4.4869 7.9671 118.8697 54.0270 43.7010 178.1410 140 G 4.0859 8.3907 110.6732 44.9188 0.0000 174.1406 141 F 4.1112 8.1420 113.0182 59.8627 37.7550 177.5822 142 T 4.3049 6.2067 111.7028 64.0396 68.4143 176.8036 143 G 3.5572 7.5483 107.7142 47.4889 0.0000 175.6889 144 R 4.2090 8.4801 119.2388 56.7422 29.9938 177.5975 145 G 4.0716 7.6610 106.7972 46.2826 0.0000 174.5172 146 E 4.4255 9.1112 121.2543 57.5956 29.8382 176.0209 147 G 3.9498 7.4565 104.5795 45.7281 0.0000 171.9522 148 I 4.9808 7.6342 112.1484 58.8865 41.0939 174.4832 149 A 5.1433 8.7267 123.7431 50.5960 22.9921 174.6474 150 C 5.0444 8.7123 119.0838 57.9616 35.6915 172.3672 151 E 5.3399 9.4131 126.5523 54.4706 32.3575 174.3731 152 A 5.3765 8.9716 127.0087 50.3524 23.3846 175.1611 153 V 5.0688 8.6058 118.5635 60.2847 35.1823 174.4695 154 V 4.9842 8.9724 122.7811 59.9591 35.5415 173.7310 155 L 5.1933 8.8363 123.5993 53.4253 45.0257 175.0282 156 L 5.3234 9.1652 126.5070 52.9598 44.8500 175.7676 157 V 4.7234 8.9428 121.8911 59.8242 34.3512 174.6526 158 N 4.9811 8.8857 121.6156 53.6147 39.9646 175.0273 159 V 4.0100 7.9804 122.9980 63.0238 31.2451 175.5086 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 N 8.42 4.68 0.00 2.72 2.92 0.00 0.00 6.98 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 0 A 8.04 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.97 4.63 0.00 1.39 1.69 0.00 3.02 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 3 I 8.15 4.70 1.86 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 1.28 1.40 0.89 0.00 0.00 4 G 8.75 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.88 5.47 0.00 3.12 3.14 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.88 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 0.00 0.00 0.00 0.00 7 F 8.35 5.37 0.00 2.98 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 8 D 8.54 4.58 0.00 2.64 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.78 4.85 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 0.50 0.00 0.00 0.72 0.00 0.00 10 H 8.68 4.86 0.00 2.92 3.03 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.49 4.41 0.00 1.76 1.64 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.47 7.81 12 F 8.93 4.83 0.00 3.17 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 13 G 9.23 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 0.00 0.00 0.00 14 E 8.48 4.31 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 2.29 2.39 0.00 15 N 8.44 4.92 0.00 2.71 2.76 0.00 0.00 6.74 7.65 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 16 G 8.25 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 17 S 8.66 4.36 0.00 3.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.39 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 0.00 0.00 0.00 0.00 19 P 0.00 4.65 0.00 1.99 2.10 0.00 3.77 0.00 0.00 5.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 20 L 8.98 4.06 0.00 1.81 1.98 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.39 4.96 1.85 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 1.38 1.06 0.95 0.00 0.00 22 I 8.71 4.69 1.82 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 1.18 1.01 0.86 0.00 0.00 23 G 9.92 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 24 G 8.98 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 0.00 0.00 0.00 25 V 7.92 4.25 2.16 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 1.02 0.00 0.00 0.96 0.00 0.00 26 R 8.45 4.57 0.00 1.85 1.83 0.00 3.25 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 27 I 8.02 4.39 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.76 0.82 0.00 0.00 28 P 0.00 4.48 0.00 1.99 2.02 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 29 Y 8.11 4.71 0.00 2.78 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 30 E 7.64 4.02 0.00 1.81 1.85 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 1.98 1.80 0.00 31 K 7.18 4.58 0.00 1.87 2.09 0.00 1.47 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.89 0.85 7.81 32 G 8.39 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 0.00 0.00 0.00 33 L 8.43 5.01 0.00 1.50 1.53 0.85 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.93 4.62 0.00 1.61 1.65 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.15 4.73 0.98 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 36 H 9.16 4.32 0.00 3.25 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.24 5.28 0.00 4.16 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 38 D 8.75 4.18 0.00 2.73 3.07 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 39 G 7.45 3.42 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 0.00 40 D 7.37 4.82 0.00 3.02 2.42 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 41 V 8.03 3.71 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 0.84 0.00 0.00 0.85 0.00 0.00 42 A 7.89 3.94 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 43 L 7.94 3.95 0.00 1.64 1.69 0.92 1.14 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 44 H 8.33 4.17 0.00 3.20 3.32 0.00 5.64 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 45 A 8.19 3.96 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 46 A 8.01 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 3.85 4.47 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 1.33 0.00 0.00 48 D 8.33 4.35 0.00 2.69 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 49 A 7.98 4.10 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 50 L 7.99 3.94 0.00 1.93 1.84 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.38 4.14 0.00 1.67 1.70 0.94 1.03 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 52 G 8.54 3.54 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 0.00 0.00 0.00 53 A 8.30 4.75 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 54 A 7.80 3.91 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 55 A 7.22 3.68 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 56 L 8.85 4.64 0.00 1.65 1.62 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.71 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 58 D 8.28 4.59 0.00 2.93 2.64 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 59 I 8.66 3.76 1.95 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 1.50 0.79 1.16 0.00 0.00 60 G 8.46 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 61 K 8.03 3.86 0.00 1.91 1.77 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.51 7.81 62 L 6.79 4.11 0.00 0.61 0.13 0.75 0.40 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 63 F 7.76 4.56 0.00 2.41 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 64 P 0.00 4.13 0.00 2.33 2.10 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 65 D 8.91 4.50 0.00 2.62 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 66 T 8.06 3.90 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 1.22 0.00 0.00 67 D 7.89 4.36 0.00 2.95 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 68 P 0.00 4.38 0.00 2.18 2.08 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 69 A 7.87 3.90 0.74 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 70 F 7.54 4.92 0.00 3.14 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 71 K 7.79 3.94 0.00 1.82 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.46 7.81 72 G 8.84 3.84 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 0.00 0.00 0.00 73 A 7.29 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.54 4.44 0.00 2.79 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 75 S 8.72 4.20 0.00 3.86 3.85 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 76 R 8.54 4.03 0.00 2.15 1.95 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 77 G 7.95 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 0.00 0.00 0.00 78 L 7.55 3.39 0.00 1.68 1.27 0.79 -0.49 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 79 L 7.99 3.98 0.00 1.83 1.85 0.92 0.90 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 80 R 8.13 4.03 0.00 2.15 2.01 0.00 3.20 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 81 E 8.48 3.94 0.00 2.12 2.14 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 2.66 2.70 0.00 82 A 8.50 4.14 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 4.24 0.00 3.16 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 84 R 8.09 3.85 0.00 2.16 2.06 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 85 R 8.06 3.93 0.00 1.99 1.97 0.00 3.37 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 86 I 7.76 3.78 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.97 0.00 0.00 87 L 8.32 4.39 0.00 1.60 1.55 0.64 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.71 3.98 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 89 K 7.54 4.30 0.00 2.02 1.90 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.60 7.81 90 G 8.58 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 91 Y 7.35 5.32 0.00 2.97 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 92 K 8.73 4.90 0.00 1.88 1.68 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 93 L 8.94 3.98 0.00 1.76 1.64 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.58 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 95 N 7.62 5.28 0.00 2.92 2.89 0.00 0.00 5.37 6.67 0.00 0.00 0.00 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0.00 2.64 2.42 0.00 104 A 7.45 4.66 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 0.00 105 P 0.00 4.52 0.00 2.15 2.01 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 106 K 8.10 4.11 0.00 1.78 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.45 7.81 *108 A 8.32 4.38 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 0.00 109 P 0.00 4.32 0.00 1.75 2.02 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 110 H 7.85 4.79 0.00 3.17 3.29 0.00 5.62 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 0.00 111 I 7.57 3.64 1.98 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 1.29 0.47 0.95 0.00 0.00 112 P 0.00 4.38 0.00 2.16 2.10 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 113 Q 7.52 4.33 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 *115 R 8.20 4.21 0.00 2.08 1.97 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 116 V 7.92 3.57 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 117 N 8.21 4.33 0.00 2.76 2.83 0.00 0.00 7.11 6.19 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 0.00 118 L 7.81 3.93 0.00 1.68 1.64 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.33 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.19 3.84 0.00 2.20 2.19 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 2.30 2.35 0.00 121 D 7.95 4.36 0.00 2.70 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 0.00 122 L 8.26 3.63 0.00 1.28 0.92 0.74 0.50 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0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.91 0.00 0.00 132 K 9.11 4.86 0.00 1.80 1.62 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.35 7.81 133 A 8.52 5.43 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 0.00 134 T 8.75 4.75 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 0.00 135 T 8.63 4.91 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 1.29 0.00 0.00 136 T 8.12 4.48 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 1.13 0.00 0.00 137 E 8.89 3.88 0.00 2.11 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 0.00 2.24 2.39 0.00 138 Q 8.39 3.84 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 139 L 7.97 4.49 0.00 1.73 1.54 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.39 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 0.00 141 F 8.14 4.11 0.00 3.46 3.40 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 0.00 142 T 6.21 4.30 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 1.10 0.00 0.00 143 G 7.55 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 0.00 0.00 0.00 144 R 8.48 4.21 0.00 1.89 2.10 0.00 3.62 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 145 G 7.66 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 0.00 146 E 9.11 4.43 0.00 2.28 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 2.42 2.49 0.00 147 G 7.46 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 0.00 148 I 7.63 4.98 1.92 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 0.93 0.69 0.85 0.00 0.00 149 A 8.73 5.14 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 0.00 150 C 8.71 5.04 0.00 2.86 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 0.00 151 E 9.41 5.34 0.00 2.23 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 152 A 8.97 5.38 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.61 5.07 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 0.81 0.00 0.00 0.99 0.00 0.00 154 V 8.97 4.98 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 0.77 0.00 0.00 1.01 0.00 0.00 155 L 8.84 5.19 0.00 1.75 1.52 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 156 L 9.17 5.32 0.00 1.38 1.45 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.94 4.72 2.14 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 0.82 0.00 0.00 0.98 0.00 0.00 158 N 8.89 4.98 0.00 3.06 2.78 0.00 0.00 7.02 7.03 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 0.00 159 V 7.98 4.01 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 0.76 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.