NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3961 0.0000 0.0000 61.4286 31.6373 175.6161 4 P 4.2770 0.0000 0.0000 60.0274 31.9846 176.6037 5 K 4.3035 8.9024 122.3186 56.0904 35.4212 176.6730 *7 N 4.5193 8.7920 116.0057 52.5202 39.6515 172.7200 8 P 4.2776 0.0000 0.0000 65.7472 31.2138 178.6325 9 V 3.6402 7.9685 116.3385 65.8304 31.5430 177.5463 10 V 4.0390 7.7714 109.8597 61.2402 31.7334 177.2011 11 E 3.9187 7.9891 120.9921 59.0509 29.2293 176.9844 12 P 4.5207 0.0000 0.0000 64.5377 31.3893 176.7727 13 L 4.3544 7.9740 117.7185 54.1097 42.0660 178.3262 14 S 3.8883 7.9367 115.3083 60.3921 63.2379 175.9594 15 W 4.5347 7.1548 120.5573 55.8653 26.7153 176.2841 *17 L 4.1926 7.7319 117.0755 54.9432 42.6104 177.3610 18 G 3.9784 7.5479 109.9139 44.3109 0.0000 171.1102 19 T 4.9961 7.6973 116.9621 61.6502 70.4191 174.5101 20 W 5.4470 9.5569 125.9706 54.7856 33.4941 174.1594 21 L 5.5642 9.2660 124.5697 52.9575 45.1922 175.7233 22 S 4.5316 9.0158 121.4708 58.8933 63.4489 173.6059 23 D 4.4962 8.7132 125.3993 52.5888 43.5946 173.3545 24 P 4.5264 0.0000 0.0000 61.4138 32.7911 173.9355 25 P 4.2221 0.0000 0.0000 62.6305 32.0181 177.0984 26 G 2.8499 8.2597 109.4973 46.1468 0.0000 172.0866 27 A 4.9546 8.6696 123.6917 49.7294 21.5589 175.6805 28 G 3.5562 8.1812 110.6546 44.4703 0.0000 172.3866 29 T 5.0471 8.3532 112.6985 61.0176 72.8161 171.8653 30 Y 4.9042 8.1833 120.0044 56.5698 41.2612 172.9180 31 P 4.2060 0.0000 0.0000 65.0027 31.4818 177.3817 32 T 4.4636 7.8754 106.0764 61.2093 69.4016 174.2034 33 L 4.9189 7.7566 121.9632 52.7806 44.8209 176.0394 34 Q 4.2226 8.5738 122.7254 55.2064 29.7557 174.1476 35 P 4.8411 0.0000 0.0000 62.9874 32.2194 175.2781 36 F 5.1614 8.6917 116.9306 55.6831 41.9587 172.9963 37 Q 5.3472 8.8312 117.3118 54.6002 32.2905 174.3969 38 Y 5.0528 8.2030 117.0942 56.0934 41.9078 173.6884 39 L 4.9377 9.0783 120.9802 53.7989 44.2799 175.3697 40 E 5.4994 9.3244 122.4843 54.8772 33.7015 173.5645 41 E 5.3637 9.8884 126.5368 54.7124 32.4420 174.9449 42 V 5.0227 9.1940 124.8589 61.4015 34.5404 173.4973 43 H 5.4572 9.8469 128.7691 54.6278 32.2480 172.4816 44 I 5.2148 8.8404 127.4648 59.6342 40.2374 175.1551 45 S 5.2176 9.1936 121.3448 57.4136 67.1112 172.0734 46 H 5.1949 8.4503 113.7948 53.9909 31.5809 173.1985 47 V 4.3142 8.2317 110.6852 61.2650 32.5634 177.1497 48 G 4.1237 8.8698 107.5543 45.3338 0.0000 174.3857 49 Q 4.3380 7.5692 118.2800 54.2563 30.2102 174.4335 50 P 4.4695 0.0000 0.0000 62.0857 30.3636 175.4116 *52 L 4.4505 7.3114 119.0126 55.4749 44.1130 177.2207 53 N 5.2647 9.2017 119.1172 51.5482 41.5822 173.9049 54 F 5.4755 7.9156 116.1595 55.4319 42.1703 173.5957 55 S 4.9614 9.1839 115.6586 56.9614 67.2375 172.8771 56 F 5.7652 9.3359 123.4955 56.0317 41.6716 174.0767 57 N 5.2944 9.7379 122.1750 51.5942 41.2658 174.0858 58 S 5.5104 8.7038 120.2794 57.2277 65.4336 173.7782 59 F 5.1678 9.4386 120.1237 55.8853 43.8733 173.6213 60 H 4.5194 9.4330 122.7033 55.8849 30.1154 174.8722 61 P 4.3528 0.0000 0.0000 65.3002 31.6070 177.2007 62 D 4.6848 8.4057 117.0181 55.6740 41.4516 177.1353 63 T 4.3845 7.9206 106.2176 60.5198 70.4816 174.8941 64 R 4.1139 8.4731 119.3780 56.6886 28.3575 175.8539 65 K 4.2098 7.8740 120.1557 55.9643 32.9586 174.8690 66 P 4.4635 0.0000 0.0000 63.1857 32.3060 175.0719 *68 H 4.6977 8.4430 120.0938 56.4782 31.5002 172.1447 69 R 5.2222 8.1595 121.9548 54.6984 34.6222 173.7427 70 E 5.2825 9.2087 120.1078 55.4800 33.7867 173.5144 71 C 4.2592 8.1829 113.9519 56.5704 33.3589 174.2195 72 G 3.2737 5.3800 105.6695 45.8661 0.0000 171.3845 73 F 5.1404 7.6031 118.9761 55.8805 44.0528 174.1886 74 I 4.9984 8.8259 122.3165 59.9118 39.6807 175.1139 75 R 4.7605 9.3518 126.8063 54.3033 33.0662 175.1414 76 L 5.0773 7.6964 119.5665 52.9104 43.6780 176.2698 77 K 4.1943 8.9027 125.5261 55.3266 33.1258 174.7082 78 P 4.2506 0.0000 0.0000 64.2366 31.7695 175.5814 79 D 4.5168 9.0314 120.1198 55.1953 38.0606 173.3060 80 T 4.6966 7.5680 107.9036 60.7562 72.0781 172.6361 81 N 4.9235 8.5846 116.0423 52.7932 38.7489 174.4949 82 K 4.7399 8.2922 120.1883 56.5962 33.6703 176.2003 83 V 4.9936 9.0502 123.3836 61.0876 35.5069 173.9084 84 A 5.3948 9.3698 127.8213 50.1104 22.5685 174.6357 85 F 5.4068 9.8705 123.7112 56.4956 42.8138 174.1837 86 V 5.0548 8.5895 118.5934 59.6991 35.4171 174.6178 87 S 5.0407 8.9541 117.8549 56.5449 66.4894 172.1977 88 A 5.2443 8.8022 127.5710 50.2413 21.6366 175.2715 89 Q 5.2183 8.9850 120.8484 53.8356 32.6093 176.5175 90 N 4.5109 8.9627 118.9446 54.4094 37.6705 176.7945 91 T 4.0559 7.6726 108.8371 62.8317 69.3964 174.5993 92 G 3.6808 8.5500 111.3569 46.3909 0.0000 172.7667 93 V 4.8442 7.6561 117.7712 60.7067 34.9157 174.4540 94 V 5.1752 8.8281 119.7812 59.7622 35.7298 174.3571 95 E 5.2286 9.0202 119.6712 55.1084 33.6320 173.9656 96 V 4.9300 8.8832 120.9394 61.3192 34.4260 174.1364 97 E 5.2606 9.7262 127.1318 54.7864 33.2966 174.8344 98 E 5.1435 9.1609 121.0031 54.7772 34.4550 175.2246 99 G 4.7081 8.6286 108.3749 46.2154 0.0000 171.8991 100 E 5.3384 8.0513 119.7202 55.1349 33.5776 174.6025 101 V 5.0282 8.5416 120.3677 60.1325 33.5666 174.9489 102 N 4.8202 9.0642 121.8929 51.1468 41.7528 174.1761 103 G 3.6687 8.9531 113.7749 47.3774 0.0000 174.7574 104 Q 3.1556 7.9315 117.4200 54.4559 28.6123 174.2623 105 E 4.9565 7.8542 119.3608 54.4012 33.7838 173.7572 106 L 5.3684 9.5408 129.0720 53.5536 45.2143 174.5923 107 C 5.4219 9.2018 123.6465 58.0142 31.2934 173.1207 108 I 5.2626 8.9003 116.8154 59.1461 41.2128 174.2202 109 A 5.2051 8.8618 124.1609 50.0494 22.7489 175.8707 110 S 4.7853 9.2061 117.0502 58.8886 63.3475 173.8145 111 H 5.0192 9.0198 116.8026 55.7277 30.5877 174.2328 112 S 4.7954 7.8275 115.0541 57.0871 67.1752 173.0017 113 I 5.1636 8.4343 123.6903 59.7101 40.9127 174.2476 114 A 4.9327 9.0216 126.6896 50.7704 23.1536 174.7165 115 R 5.0847 8.1146 114.0709 54.7538 32.6144 174.9215 116 I 3.9665 8.3533 114.2869 60.5168 38.3432 177.4501 117 S 4.2102 8.7515 118.5479 60.6009 63.0159 174.8160 118 F 4.9449 7.3587 114.8685 56.1270 38.1271 175.5789 119 A 4.0413 7.4732 123.6828 52.6456 18.7366 178.3568 120 K 4.1951 8.3518 122.0900 56.1792 33.0396 176.7034 121 E 4.2434 8.4115 125.0301 54.8845 30.6465 174.4274 122 P 4.5178 0.0000 0.0000 62.8604 32.3481 175.3455 123 H 4.8162 8.4641 118.7905 55.1509 30.2573 175.0870 124 V 3.8682 8.4427 122.7753 62.1150 31.4737 175.5127 125 E 4.6663 9.3804 123.1387 57.2496 31.8230 176.4615 126 Q 4.7230 7.9063 115.6082 54.4046 33.2126 174.5989 127 I 5.0470 9.0544 122.8297 59.8444 41.7616 174.4775 128 T 5.0689 8.9370 114.6580 60.1225 72.4856 172.9294 129 R 4.9371 8.9979 121.3200 54.3117 34.8809 173.9989 130 K 4.9600 8.8184 123.5057 54.6877 35.1730 174.6423 131 F 5.6009 9.2274 126.2308 55.9642 41.9967 174.7802 132 R 4.8927 9.0693 117.7280 54.9759 33.1914 173.4070 133 L 5.0499 7.7528 123.9403 53.7163 43.2884 176.3143 134 N 4.7362 9.1240 125.3653 51.5219 38.8753 175.9674 135 S 4.2193 8.4203 111.9101 60.7789 63.1203 174.6880 136 E 4.2499 8.3704 119.0857 56.2029 29.4037 176.9015 137 G 4.0317 8.2015 107.1360 45.5818 0.0000 173.5957 138 K 4.9388 8.3494 119.2074 54.8687 34.4230 175.6684 139 L 4.6794 8.4109 125.2601 54.5088 43.6813 175.2022 140 E 5.1286 9.4112 124.6638 54.5315 33.3885 174.5458 141 Q 4.7626 8.9021 124.5850 54.4385 32.4560 174.0249 142 T 5.0341 8.6392 122.4892 61.6800 72.2454 172.8895 143 V 4.6879 8.7120 126.3299 61.2817 34.5025 174.6714 144 S 5.3715 8.9879 122.9494 55.5479 67.2029 172.3842 *146 A 4.6066 8.2972 120.6714 52.7177 19.6510 176.8426 147 T 4.7834 8.4810 111.7635 59.8411 71.5411 175.0637 148 T 3.7316 7.8707 116.7079 66.4897 68.3874 175.3217 149 T 4.4771 7.4682 108.2201 60.8891 70.8294 173.6368 150 Q 4.5888 7.9126 124.2166 53.4552 30.9400 174.1215 151 P 4.0339 0.0000 0.0000 65.6776 31.6526 176.4923 *153 T 4.0872 7.4966 110.9813 61.1700 68.1537 172.4037 154 Q 4.3439 8.5123 125.7006 56.8340 29.8232 174.9783 155 H 5.8515 9.5535 123.4898 56.2895 32.8283 173.5614 156 L 5.3370 7.7235 116.1468 53.2205 46.1587 175.2842 157 H 5.2927 9.0125 121.7889 54.6947 33.5448 172.4014 158 V 4.4725 8.2958 124.2163 60.2564 35.1075 173.4880 159 T 4.7951 7.9952 112.2635 60.1036 72.0181 172.3114 160 Y 5.4464 9.2078 121.2383 56.1468 41.9890 174.7579 161 K 4.8936 9.2361 122.6117 55.7274 34.9930 175.7432 162 K 3.9231 8.7297 124.3847 56.5687 32.0828 176.6167 163 V 4.3520 8.5848 119.7903 61.9134 34.5656 176.1004 164 T 4.0258 7.2901 121.6101 63.9678 69.3565 173.1998 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 P 0.00 4.40 0.00 2.06 2.11 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 4 P 0.00 4.28 0.00 2.02 1.98 0.00 3.64 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 1.98 2.13 0.00 5 K 8.90 4.30 0.00 1.89 1.24 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.53 7.81 *7 N 8.79 4.52 0.00 3.04 2.77 0.00 0.00 6.91 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 8 P 0.00 4.28 0.00 2.20 2.10 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 9 V 7.97 3.64 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 0.84 0.00 0.00 0.98 0.00 0.00 10 V 7.77 4.04 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 0.67 0.00 0.00 0.95 0.00 0.00 11 E 7.99 3.92 0.00 2.03 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 0.00 2.36 2.56 0.00 12 P 0.00 4.52 0.00 2.16 2.19 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 13 L 7.97 4.35 0.00 1.65 1.28 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.94 3.89 0.00 4.02 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 15 W 7.15 4.53 0.00 3.64 3.27 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 *17 L 7.73 4.19 0.00 1.85 1.72 0.96 1.07 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 18 G 7.55 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 19 T 7.70 5.00 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 1.27 0.00 0.00 20 W 9.56 5.45 0.00 2.90 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 21 L 9.27 5.56 0.00 1.82 1.57 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.02 4.53 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.71 4.50 0.00 2.70 2.59 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 24 P 0.00 4.53 0.00 2.14 2.03 0.00 3.73 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 1.88 1.92 0.00 25 P 0.00 4.22 0.00 1.83 2.02 0.00 3.61 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 1.98 2.06 0.00 26 G 8.26 2.85 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 0.00 27 A 8.67 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.18 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 29 T 8.35 5.05 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 1.14 0.00 0.00 30 Y 8.18 4.90 0.00 3.03 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 31 P 0.00 4.21 0.00 1.86 1.96 0.00 2.25 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 32 T 7.88 4.46 4.32 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 1.27 0.00 0.00 33 L 7.76 4.92 0.00 1.83 1.79 1.14 0.82 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 34 Q 8.57 4.22 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 35 P 0.00 4.84 0.00 1.99 1.95 0.00 3.73 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 2.04 2.10 0.00 36 F 8.69 5.16 0.00 3.06 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.83 5.35 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 38 Y 8.20 5.05 0.00 3.13 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 39 L 9.08 4.94 0.00 1.87 1.76 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.32 5.50 0.00 2.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 41 E 9.89 5.36 0.00 2.23 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 2.36 2.47 0.00 42 V 9.19 5.02 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 0.75 0.00 0.00 0.40 0.00 0.00 43 H 9.85 5.46 0.00 3.26 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.84 5.21 2.01 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.88 0.00 0.00 45 S 9.19 5.22 0.00 3.79 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.45 5.19 0.00 3.11 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.23 4.31 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 0.74 0.00 0.00 0.95 0.00 0.00 48 G 8.87 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 0.00 0.00 0.00 0.00 49 Q 7.57 4.34 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.62 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 50 P 0.00 4.47 0.00 2.22 2.21 0.00 3.71 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 2.05 1.97 0.00 *52 L 7.31 4.45 0.00 1.66 1.66 0.79 0.65 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 53 N 9.20 5.26 0.00 2.50 2.45 0.00 0.00 6.63 8.08 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 54 F 7.92 5.48 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 9.18 4.96 0.00 3.80 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 56 F 9.34 5.77 0.00 3.07 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 57 N 9.74 5.29 0.00 2.78 2.56 0.00 0.00 6.47 7.32 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 58 S 8.70 5.51 0.00 3.81 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 59 F 9.44 5.17 0.00 3.03 2.97 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 60 H 9.43 4.52 0.00 3.28 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.35 0.00 2.11 2.13 0.00 3.48 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 62 D 8.41 4.68 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.92 4.38 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 1.18 0.00 0.00 64 R 8.47 4.11 0.00 2.02 2.06 0.00 3.09 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 65 K 7.87 4.21 0.00 1.92 1.75 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.47 7.81 66 P 0.00 4.46 0.00 1.96 1.90 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 *68 H 8.44 4.70 0.00 3.14 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.16 5.22 0.00 1.65 1.74 0.00 3.05 0.00 0.00 3.32 7.19 0.00 0.00 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1.44 7.81 78 P 0.00 4.25 0.00 2.09 1.99 0.00 3.87 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 2.03 2.12 0.00 79 D 9.03 4.52 0.00 2.84 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 80 T 7.57 4.70 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 1.29 0.00 0.00 81 N 8.58 4.92 0.00 3.04 3.10 0.00 0.00 5.95 7.42 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 82 K 8.29 4.74 0.00 1.74 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.56 7.81 83 V 9.05 4.99 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 1.07 0.00 0.00 1.00 0.00 0.00 84 A 9.37 5.39 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 85 F 9.87 5.41 0.00 3.06 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 86 V 8.59 5.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.09 0.00 0.00 87 S 8.95 5.04 0.00 3.99 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 88 A 8.80 5.24 1.14 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 0.00 0.00 89 Q 8.99 5.22 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 90 N 8.96 4.51 0.00 2.81 2.98 0.00 0.00 6.85 7.02 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 91 T 7.67 4.06 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 1.22 0.00 0.00 92 G 8.55 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.66 4.84 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 1.14 0.00 0.00 0.91 0.00 0.00 94 V 8.83 5.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.09 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.83 4.80 0.00 3.79 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.43 5.16 1.89 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 0.62 0.98 0.00 0.00 114 A 9.02 4.93 1.18 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 0.00 115 R 8.11 5.08 0.00 1.67 1.78 0.00 2.71 0.00 0.00 2.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 116 I 8.35 3.97 1.32 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.19 0.77 0.00 0.00 117 S 8.75 4.21 0.00 4.08 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 0.00 118 F 7.36 4.94 0.00 3.16 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 0.00 119 A 7.47 4.04 1.25 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 136 E 8.37 4.25 0.00 2.17 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 2.29 2.31 0.00 137 G 8.20 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 0.00 138 K 8.35 4.94 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.47 7.81 139 L 8.41 4.68 0.00 0.27 0.82 0.88 -0.41 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 0.00 140 E 9.41 5.13 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 141 Q 8.90 4.76 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 142 T 8.64 5.03 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 1.23 0.00 0.00 143 V 8.71 4.69 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 0.84 0.00 0.00 0.80 0.00 0.00 144 S 8.99 5.37 0.00 3.78 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 *146 A 8.30 4.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.48 4.78 4.37 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 1.23 0.00 0.00 148 T 7.87 3.73 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 1.23 0.00 0.00 149 T 7.47 4.48 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 0.00 150 Q 7.91 4.59 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 1.49 2.18 0.00 151 P 0.00 4.03 0.00 2.06 2.09 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 *153 T 7.50 4.09 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 1.00 0.00 0.00 154 Q 8.51 4.34 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 155 H 9.55 5.85 0.00 3.16 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.72 5.34 0.00 1.54 1.54 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 157 H 9.01 5.29 0.00 3.14 3.00 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.30 4.47 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 0.24 0.00 0.00 0.02 0.00 0.00 159 T 8.00 4.80 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 1.08 0.00 0.00 160 Y 9.21 5.45 0.00 2.97 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 0.00 161 K 9.24 4.89 0.00 1.90 2.03 0.00 1.35 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.47 7.81 162 K 8.73 3.92 0.00 1.21 1.49 0.00 1.16 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.92 0.21 7.81 163 V 8.58 4.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 164 T 7.29 4.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.