NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3047 8.3444 119.1147 54.9591 30.5262 175.4758 4 V 3.6825 7.4699 117.3766 60.7210 32.4463 174.1074 5 D 4.3258 9.4384 125.1608 54.4056 43.0052 175.0183 6 P 3.9418 0.0000 0.0000 65.9765 31.3404 178.4181 7 Q 4.1575 8.2295 117.5712 59.1161 28.9678 177.9441 8 L 3.9553 7.6304 121.2129 57.8019 42.1322 179.0511 9 K 3.8500 7.8602 118.5154 59.4469 31.9136 179.2969 10 F 4.3753 7.9731 117.7779 60.5480 38.8416 177.6167 11 A 3.9957 8.3273 120.5095 55.5488 18.2371 179.6229 12 M 3.9583 8.4258 117.6540 58.3928 31.8296 178.9190 13 Q 3.6978 7.8541 120.9744 58.4884 29.0249 178.1983 14 R 3.7958 7.8680 118.5454 59.4310 30.2672 177.6538 15 D 4.5957 8.4133 117.3269 55.5033 41.2319 177.0904 16 L 4.5704 7.4413 115.2582 53.3333 43.3827 176.6371 17 G 3.7986 7.8677 106.4086 46.3705 0.0000 173.9720 18 I 4.5289 7.4539 121.7562 59.1855 37.4249 175.7968 19 F 4.2762 9.6757 125.3142 56.0823 39.7364 175.2469 20 P 4.2752 0.0000 0.0000 66.4371 30.8657 179.0018 21 T 4.0211 8.0907 105.7544 63.9284 69.0670 175.3000 22 Q 4.5612 8.4796 120.4328 56.3317 29.6754 177.3732 23 L 4.0150 7.5403 121.9600 57.7910 42.1856 176.9402 24 P 4.2494 0.0000 0.0000 65.8732 31.3269 178.4125 25 Q 4.3250 8.0685 118.9973 58.5887 29.0272 177.4842 26 Y 3.7955 8.0060 120.7986 60.6101 38.8741 177.7723 27 L 3.7222 8.2436 120.2896 57.6620 41.3617 179.6371 28 Q 3.9091 8.0669 117.9925 59.1760 28.5854 178.9015 29 T 3.7967 7.6984 116.6634 66.5457 68.3309 176.1968 30 E 3.6384 7.9237 121.4961 59.0459 29.4054 178.8895 31 K 3.8068 7.8974 119.3929 59.6073 32.3002 178.9007 32 L 4.1077 8.2443 120.3420 57.1235 41.2359 179.3557 33 A 3.9696 8.0955 120.5468 54.4099 18.2778 179.0331 34 R 4.2576 7.2528 113.3841 58.6624 30.6086 178.6458 35 T 4.0941 8.2434 109.9636 63.1275 69.0085 175.5609 36 Q 4.5680 8.0082 119.3486 55.1762 29.5783 176.8717 37 A 3.9047 7.8695 123.1911 55.3670 18.4067 179.7582 38 A 3.7836 7.8739 118.3955 54.9527 18.3965 179.5071 39 A 3.8164 7.7761 118.8526 55.4314 18.5466 179.7867 40 I 3.2396 7.5347 118.2528 64.2210 36.8470 178.3221 41 E 2.5400 7.1719 119.1268 58.6560 29.2669 178.5815 42 R 3.9436 7.9455 119.0397 59.2514 29.9058 178.0979 43 E 4.0132 8.0835 118.5129 59.1932 29.8963 178.2199 44 F 4.6779 8.7122 116.4492 58.7419 39.7038 176.9542 45 G 3.7887 8.3331 108.1999 46.1971 0.0000 175.5373 46 A 4.1459 8.8126 123.1336 54.6527 18.7642 178.1066 47 Q 4.5446 7.9223 113.4330 54.7814 29.4276 175.5363 48 F 4.8502 8.5540 122.0839 58.7920 39.8188 174.9694 49 A 4.5999 8.5580 129.7954 51.6870 19.8120 176.7589 50 G 3.9357 6.2369 104.5142 46.6363 0.0000 173.0877 51 S 4.9925 8.1587 112.2291 56.7853 66.2552 172.8353 52 W 4.9893 8.3693 117.3771 56.1463 31.7960 172.8365 53 I 4.9185 8.6118 121.1069 60.3886 38.1824 175.4104 54 E 5.0000 9.2303 124.5100 54.6407 34.1145 174.5811 55 R 4.2347 8.5890 123.2545 54.9609 30.9992 176.0643 56 N 4.5878 9.1285 124.7181 52.9993 39.2718 176.1104 57 E 3.9855 8.5843 119.2875 59.3158 29.6261 177.9077 58 D 4.5556 8.0019 116.0649 53.2505 39.6397 177.1387 59 G 3.8304 7.9124 109.8065 45.3024 0.0000 174.0277 60 S 4.6888 7.9774 114.7372 57.9444 65.2478 172.7160 61 F 5.4797 9.5025 118.4058 55.9656 42.5697 174.8910 62 K 4.6718 9.1102 117.7520 55.8510 36.4160 174.4952 63 L 4.7112 8.4817 123.8934 53.8955 43.6180 175.0359 64 V 4.6435 8.3721 126.6283 60.9747 34.2330 174.1986 65 A 4.8309 8.7950 127.8431 50.0798 22.4310 174.7915 66 A 5.3099 9.0422 123.7812 50.7134 22.4253 175.6062 67 T 5.1929 9.0191 114.2763 60.6067 71.3860 174.2513 68 S 5.2090 8.9131 122.0656 58.3197 64.3838 174.4535 69 G 4.2537 8.0685 109.8922 44.1006 0.0000 172.9873 70 A 4.3238 8.4050 122.6205 52.9339 19.9347 178.7063 71 R 3.8295 7.7974 115.8851 57.4123 29.5811 182.4721 72 K 4.5934 8.3981 119.9249 53.8445 33.7920 174.7156 73 S 4.7146 7.6128 110.3809 58.0891 65.5235 172.4944 74 S 5.1275 8.3200 117.3075 56.3544 64.5801 174.7861 75 T 4.1660 9.8593 116.8829 63.3897 68.7621 175.4666 76 L 4.0438 7.9934 122.6901 55.4074 42.2844 178.2658 77 G 3.9886 8.0364 103.2409 46.5219 0.0000 174.2818 78 G 3.9585 8.6491 106.2762 45.4968 0.0000 173.3228 79 V 4.4468 7.1677 118.4980 60.7962 33.2947 174.6884 80 E 4.2667 8.9462 129.9317 55.7182 30.7052 175.0435 81 V 4.7897 8.4045 127.2526 61.5921 33.2424 174.5945 82 R 4.6586 9.1697 128.4998 54.6021 32.5842 174.0621 83 N 5.2402 8.8159 123.9894 52.6468 39.7080 174.7132 84 V 4.4445 8.8721 116.8420 59.3752 35.5868 177.3054 85 R 3.6098 8.6853 121.1503 59.1259 30.0636 175.9445 86 Y 5.0342 7.7554 113.8006 56.3312 40.1605 176.2050 87 S 4.6592 9.0300 118.3830 57.3422 65.9926 175.3069 88 L 4.0463 8.9318 126.5860 58.7911 41.7660 179.7453 89 K 4.0819 8.1550 123.2557 59.8796 31.7493 181.1078 90 Q 4.1686 8.0588 118.8635 58.9764 28.6516 178.9282 91 L 3.9432 7.8981 119.9746 57.8039 41.5432 179.4144 92 Q 3.9819 8.6843 119.9870 59.0178 28.9728 178.2636 93 S 4.0450 8.0112 114.1667 61.2662 62.4615 176.0154 94 A 4.6430 7.7731 124.4115 54.7805 18.0412 179.2138 95 M 4.0010 8.2532 116.8826 59.0041 32.2772 178.3246 96 E 4.0437 8.4651 118.8188 59.5746 29.6029 179.4222 97 Q 3.9469 7.9480 118.0469 58.8234 28.7343 178.8371 98 L 3.4881 7.7636 120.0473 57.5972 41.5590 179.1363 99 D 4.8344 8.4665 118.7545 57.6171 40.5954 178.8292 100 A 4.1847 8.2238 120.4494 55.0156 18.4209 179.5990 101 G 3.7142 8.0854 103.4862 47.9888 0.0000 175.5671 102 A 4.2782 8.3043 124.6232 54.8048 19.2528 179.0497 103 N 4.6687 7.9285 118.8435 54.0725 37.2670 179.0390 *113 L 4.2573 7.6633 117.3124 54.4804 43.5630 177.7520 114 D 4.5403 7.9972 117.7849 56.1935 41.7017 176.9957 115 G 4.0292 9.1516 111.5046 44.2018 0.0000 173.1037 116 V 4.3784 7.2563 119.5177 62.1098 32.3743 175.2741 117 Q 4.4227 9.2372 127.8396 57.7743 29.2224 175.9303 118 S 4.4688 7.8993 110.8676 57.6764 66.1256 173.1659 119 W 6.3000 8.0426 116.0454 55.6542 30.9529 173.5560 120 Y 4.8403 7.8381 116.5577 56.1428 40.3289 173.2357 121 V 3.9599 8.7583 121.8816 63.2983 32.6523 175.3751 122 D 4.8189 9.2455 127.9999 51.3511 41.6882 173.8490 123 P 4.2221 0.0000 0.0000 65.1668 31.7898 178.8132 124 R 2.5100 7.1700 116.6783 57.9228 29.7830 176.8331 125 S 4.5073 7.6629 109.6216 56.7354 63.6571 173.3634 126 N 4.0717 7.9599 117.7643 53.9881 37.6363 172.3455 127 A 4.6014 7.1500 116.9667 51.2968 23.5877 176.4900 128 V 4.3361 8.6730 120.1959 61.8773 32.9872 175.0707 129 V 4.3470 8.3932 128.9696 61.7866 33.3429 174.7699 130 V 4.8514 8.6200 127.4424 61.2142 33.9967 174.1788 131 K 5.0479 9.2212 128.8831 55.6591 33.7804 176.6400 132 V 4.9716 8.5583 116.7828 59.1987 36.2884 175.0731 133 D 4.9414 9.1264 122.8267 54.2669 42.1838 176.0334 134 D 4.2137 8.5345 120.8661 56.1114 41.1204 177.3586 135 G 3.9133 9.1470 111.7331 45.9440 0.0000 173.7862 136 A 4.7318 7.8845 120.9347 52.0922 19.9682 178.8626 137 T 3.8605 7.9621 120.3275 68.5848 68.5046 175.9906 138 D 4.3895 8.1271 119.9405 57.2069 40.8395 178.5094 139 A 4.1289 7.9401 121.1686 55.0024 18.2639 179.9753 140 G 3.6127 7.9455 103.8933 47.8401 0.0000 175.9397 141 V 3.5610 7.8927 120.7523 65.8889 31.4763 177.8001 142 D 4.3374 8.2353 118.5896 57.2887 40.7843 178.6075 143 F 4.2919 8.2094 121.0693 61.3819 39.5774 177.3958 144 V 2.9842 7.8458 117.7630 65.7357 31.4183 177.8835 145 A 4.0502 8.2925 123.3182 55.7328 18.0027 180.3035 146 L 4.0250 7.9648 120.3529 59.2657 41.0481 181.1950 147 S 4.4077 7.6084 112.0478 59.3663 63.0842 175.5350 148 G 3.7647 7.5656 109.5243 45.4410 0.0000 173.6292 149 A 4.1439 6.9935 121.0179 51.3035 19.0360 177.7579 150 D 4.3583 8.3400 120.1818 53.8113 41.0766 177.1543 151 S 4.0603 8.6905 122.8272 61.0404 62.9355 176.5284 152 A 4.0916 8.2193 123.0594 54.3365 18.4242 177.9192 153 Q 4.1106 8.1367 114.2254 55.4773 29.1799 174.8817 154 V 4.8117 7.2411 117.8920 60.8579 34.3108 174.7303 155 R 4.5419 8.8516 127.4151 54.5784 32.6776 174.0608 156 I 4.6146 8.3864 127.6149 60.5283 38.6015 174.9213 157 E 4.7849 9.2658 128.0517 54.0663 32.5887 174.9713 158 S 4.8628 8.8033 121.8617 58.4710 64.1957 173.4358 159 S 4.6975 9.0305 117.4089 55.9030 64.9798 171.9402 160 P 4.4960 0.0000 0.0000 63.3334 32.2967 177.5317 161 G 3.9497 8.6619 109.4063 45.1667 0.0000 172.9343 162 K 4.6440 8.1543 116.2797 54.8048 36.2030 176.3228 163 L 4.2206 8.4757 120.8028 55.0826 41.7087 176.7705 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 4.30 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 V 7.47 3.68 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 0.86 0.00 0.00 0.92 0.00 0.00 5 D 9.44 4.33 0.00 2.81 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 6 P 0.00 3.94 0.00 2.20 1.98 0.00 3.63 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 2.11 2.10 0.00 7 Q 8.23 4.16 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 8 L 7.63 3.96 0.00 1.65 1.79 0.92 0.64 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 9 K 7.86 3.85 0.00 1.70 1.51 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.36 7.81 10 F 7.97 4.38 0.00 3.22 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 11 A 8.33 4.00 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 12 M 8.43 3.96 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 13 Q 7.85 3.70 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 14 R 7.87 3.80 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 15 D 8.41 4.60 0.00 2.72 2.68 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 16 L 7.44 4.57 0.00 1.62 1.56 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.87 3.80 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 0.00 18 I 7.45 4.53 1.75 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.93 0.00 0.00 19 F 9.68 4.28 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 20 P 0.00 4.28 0.00 2.20 2.12 0.00 3.85 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 2.18 2.15 0.00 21 T 8.09 4.02 4.28 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 1.25 0.00 0.00 22 Q 8.48 4.56 0.00 2.37 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 23 L 7.54 4.02 0.00 1.79 1.70 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.25 0.00 2.22 2.10 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 25 Q 8.07 4.33 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 26 Y 8.01 3.80 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 3.72 0.00 1.78 1.62 0.93 0.91 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 28 Q 8.07 3.91 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 29 T 7.70 3.80 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 1.24 0.00 0.00 30 E 7.92 3.64 0.00 1.16 1.63 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 2.16 2.16 0.00 31 K 7.90 3.81 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 32 L 8.24 4.11 0.00 1.67 1.79 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.10 3.97 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 34 R 7.25 4.26 0.00 2.05 2.04 0.00 3.04 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 35 T 8.24 4.09 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 1.19 0.00 0.00 36 Q 8.01 4.57 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 37 A 7.87 3.90 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 38 A 7.87 3.78 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 39 A 7.78 3.82 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 40 I 7.53 3.24 1.69 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 1.15 0.65 0.18 0.00 0.00 41 E 7.17 2.54 0.00 1.16 1.64 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 2.02 1.58 0.00 42 R 7.95 3.94 0.00 1.81 2.00 0.00 3.10 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 43 E 8.08 4.01 0.00 2.07 2.15 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 2.67 2.47 0.00 44 F 8.71 4.68 0.00 3.35 3.23 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 45 G 8.33 3.79 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 0.00 0.00 0.00 46 A 8.81 4.15 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 47 Q 7.92 4.54 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 48 F 8.55 4.85 0.00 3.25 3.13 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 0.00 0.00 0.00 49 A 8.56 4.60 1.23 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 50 G 6.24 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 51 S 8.16 4.99 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.37 4.99 0.00 3.44 3.37 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 53 I 8.61 4.92 2.06 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 1.38 0.66 1.20 0.00 0.00 54 E 9.23 5.00 0.00 2.02 1.92 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 2.53 2.87 0.00 55 R 8.59 4.23 0.00 1.61 1.70 0.00 2.93 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.00 56 N 9.13 4.59 0.00 2.76 2.86 0.00 0.00 6.58 7.91 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 57 E 8.58 3.99 0.00 1.92 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 0.00 2.31 2.35 0.00 58 D 8.00 4.56 0.00 2.76 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 59 G 7.91 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 60 S 7.98 4.69 0.00 4.20 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 61 F 9.50 5.48 0.00 2.94 3.12 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 62 K 9.11 4.67 0.00 1.80 1.89 0.00 1.36 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.41 7.81 63 L 8.48 4.71 0.00 1.75 1.53 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.37 4.64 0.79 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 0.47 0.00 0.00 0.81 0.00 0.00 65 A 8.80 4.83 1.13 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 0.00 0.00 0.00 0.00 0.00 66 A 9.04 5.31 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 67 T 9.02 5.19 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 1.08 0.00 0.00 68 S 8.91 5.21 0.00 4.03 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 69 G 8.07 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 0.00 0.00 0.00 70 A 8.41 4.32 1.24 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 0.00 0.00 0.00 71 R 7.80 3.83 0.00 1.84 1.78 0.00 3.21 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 72 K 8.40 4.59 0.00 1.72 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 0.94 7.81 73 S 7.61 4.71 0.00 3.77 3.72 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 0.00 0.00 0.00 74 S 8.32 5.13 0.00 4.08 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 75 T 9.86 4.17 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 1.33 0.00 0.00 76 L 7.99 4.04 0.00 1.65 1.73 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.65 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 79 V 7.17 4.45 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 80 E 8.95 4.27 0.00 2.08 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 0.00 2.27 2.25 0.00 81 V 8.40 4.79 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.11 0.00 0.00 82 R 9.17 4.66 0.00 1.88 1.85 0.00 3.41 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 83 N 8.82 5.24 0.00 2.62 2.72 0.00 0.00 6.89 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 84 V 8.87 4.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.04 0.00 0.00 85 R 8.69 3.61 0.00 1.46 1.49 0.00 2.93 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 86 Y 7.76 5.03 0.00 3.04 2.81 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 87 S 9.03 4.66 0.00 4.23 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 88 L 8.93 4.05 0.00 1.78 1.83 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.15 4.08 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.11 7.81 90 Q 8.06 4.17 0.00 2.41 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 91 L 7.90 3.94 0.00 1.86 1.71 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.68 3.98 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 93 S 8.01 4.04 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.77 4.64 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 95 M 8.25 4.00 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.75 0.00 96 E 8.47 4.04 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 97 Q 7.95 3.95 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 98 L 7.76 3.49 0.00 1.59 0.78 0.64 0.06 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 99 D 8.47 4.83 0.00 3.00 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 0.00 100 A 8.22 4.18 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 0.00 101 G 8.09 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 0.00 102 A 8.30 4.28 1.50 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 0.00 0.00 103 N 7.93 4.67 0.00 2.86 2.69 0.00 0.00 7.03 7.95 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 *113 L 7.66 4.26 0.00 1.62 1.55 0.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.00 4.54 0.00 2.65 2.62 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 0.00 115 G 9.15 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 0.00 116 V 7.26 4.38 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 0.99 0.00 0.00 0.85 0.00 0.00 117 Q 9.24 4.42 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 118 S 7.90 4.47 0.00 3.79 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 0.00 119 W 8.04 6.30 0.00 3.29 3.21 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 0.00 120 Y 7.84 4.84 0.00 3.04 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 0.00 121 V 8.76 3.96 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 0.80 0.00 0.00 1.09 0.00 0.00 122 D 9.25 4.82 0.00 2.86 2.58 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 0.00 123 P 0.00 4.22 0.00 2.25 2.47 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 124 R 7.17 2.51 0.00 0.67 1.46 0.00 2.52 0.00 0.00 2.98 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 125 S 7.66 4.51 0.00 3.96 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 0.00 126 N 7.96 4.07 0.00 2.87 2.90 0.00 0.00 6.84 7.49 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 0.00 127 A 7.15 4.60 1.24 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 0.00 0.00 0.00 128 V 8.67 4.34 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 1.04 0.00 0.00 0.90 0.00 0.00 129 V 8.39 4.35 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 0.00 0.00 0.63 0.00 0.00 0.73 0.00 0.00 130 V 8.62 4.85 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 1.15 0.00 0.00 0.92 0.00 0.00 131 K 9.22 5.05 0.00 1.84 1.78 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.50 7.81 132 V 8.56 4.97 2.21 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 0.78 0.00 0.00 1.02 0.00 0.00 133 D 9.13 4.94 0.00 2.56 2.60 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 0.00 134 D 8.53 4.21 0.00 2.67 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 0.00 135 G 9.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.88 4.73 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 0.00 137 T 7.96 3.86 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 1.22 0.00 0.00 138 D 8.13 4.39 0.00 2.69 2.72 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 0.00 0.00 0.00 139 A 7.94 4.13 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 0.00 140 G 7.95 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 0.00 141 V 7.89 3.56 2.22 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 1.09 0.00 0.00 0.97 0.00 0.00 142 D 8.24 4.34 0.00 2.93 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 0.00 143 F 8.21 4.29 0.00 3.01 3.20 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 0.00 144 V 7.85 2.98 1.92 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 0.76 0.00 0.00 0.74 0.00 0.00 145 A 8.29 4.05 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 0.00 146 L 7.96 4.02 0.00 1.75 1.60 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.61 4.41 0.00 3.97 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 0.00 148 G 7.57 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 0.00 0.00 0.00 149 A 6.99 4.14 1.11 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 0.00 150 D 8.34 4.36 0.00 2.59 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 0.00 151 S 8.69 4.06 0.00 3.98 4.06 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 0.00 152 A 8.22 4.09 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 0.00 153 Q 8.14 4.11 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 154 V 7.24 4.81 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 0.65 0.00 0.00 0.82 0.00 0.00 155 R 8.85 4.54 0.00 1.83 1.67 0.00 3.12 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 156 I 8.39 4.61 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.93 0.00 0.00 157 E 9.27 4.78 0.00 1.95 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 0.00 2.21 2.23 0.00 158 S 8.80 4.86 0.00 4.07 3.86 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 0.00 159 S 9.03 4.70 0.00 3.84 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 0.00 160 P 0.00 4.50 0.00 1.98 1.99 0.00 3.86 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 2.03 2.10 0.00 161 G 8.66 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 0.00 162 K 8.15 4.64 0.00 1.69 1.66 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 163 L 8.48 4.22 0.00 1.62 1.55 0.90 0.81 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 * Residues marked with a * may have inaccurate shift predictions.