NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7056 8.4545 109.7135 45.3738 0.0000 173.8202 2 L 4.1298 7.4819 119.6853 52.0676 44.6818 176.3911 3 F 4.9992 9.1027 122.8490 56.8215 40.2741 176.8604 4 D 4.4745 8.2537 125.3004 57.5648 41.1052 178.8545 5 K 4.4727 8.0096 118.2132 54.2498 31.7157 179.0100 6 L 4.7210 7.3460 122.8389 54.4717 43.5662 177.2844 7 K 4.2782 8.5129 126.7973 54.4821 32.4216 174.8605 8 S 4.8615 8.1563 114.5560 56.1903 65.6639 174.7325 9 L 4.1826 8.1251 124.1242 54.6019 40.0621 176.5933 10 V 3.8768 7.7671 125.4922 62.2208 32.7365 176.3506 11 S 4.5152 8.1197 115.9827 57.9472 64.8665 177.8788 *19 T 4.0661 8.4602 121.0347 60.5779 67.0791 172.6591 20 I 3.9481 8.0176 129.0878 61.2852 38.0034 175.0898 21 E 5.2060 8.8239 126.4336 54.6781 32.2618 175.5270 22 I 4.4399 8.5729 124.0447 59.6587 39.2171 175.0638 23 I 4.4939 8.5665 128.6218 60.1609 38.9082 175.2237 24 A 4.1158 8.9873 128.1859 52.0670 18.6894 176.9914 25 P 4.3460 0.0000 0.0000 65.0113 31.7944 176.2596 26 L 4.8237 7.4442 115.8206 54.9894 43.2107 174.3093 27 S 4.7831 9.6882 114.8529 57.3623 64.7953 175.1970 28 G 4.1751 7.4454 108.1503 45.1995 0.0000 172.0082 29 E 4.7346 8.3737 119.5959 55.8814 30.9475 176.5157 30 I 4.4285 8.3434 125.4196 61.3138 38.0307 175.7428 31 V 4.4940 8.6647 126.3154 60.6314 35.1579 174.6907 32 N 4.7041 8.6997 124.0522 53.2818 39.2009 176.1674 33 I 3.6240 8.3955 122.5914 63.8893 38.3104 176.9447 34 E 4.5795 8.0217 114.7303 56.7219 29.5631 176.6693 35 D 4.5644 7.9530 119.1259 54.7148 41.5005 176.6194 36 V 3.7530 7.7026 121.0821 61.8696 32.0383 174.9892 37 P 4.5905 0.0000 0.0000 61.0483 30.7533 177.0769 38 D 4.4372 7.5516 117.8432 54.1398 43.6304 175.7649 39 V 3.7930 8.5274 121.3086 63.9365 32.0317 178.6780 40 V 3.7066 7.3609 113.1246 63.0968 31.2516 178.0106 41 F 4.4828 7.9088 117.5676 59.9898 39.1851 177.7674 42 A 4.3117 8.1948 119.7346 54.3983 17.4835 178.1649 43 E 4.4496 8.1171 116.1841 56.0602 30.0856 176.6885 44 K 4.9259 8.4012 114.7593 56.4542 30.6375 177.8372 45 I 3.6822 7.3924 120.7750 64.4941 37.0032 178.1938 46 V 3.7138 7.5858 118.1424 62.5695 31.8064 175.8751 47 G 3.9608 6.3890 105.6500 45.7073 0.0000 170.5761 48 D 5.1777 7.8818 117.4432 51.9543 44.7430 175.0882 49 G 4.3084 7.4302 114.6398 46.3402 0.0000 172.4027 50 I 4.7904 8.3694 119.5163 59.0257 41.4822 173.4312 51 A 5.1397 8.5806 121.9917 50.3604 22.9387 175.4354 52 I 4.8296 7.8570 118.2473 59.4704 41.4886 174.9838 53 K 4.4795 8.8616 129.5779 54.8983 32.2578 174.1166 54 P 4.9139 0.0000 0.0000 63.0593 31.6920 176.2175 55 T 4.6775 8.9610 110.7274 61.6095 71.0990 174.4717 56 G 4.1570 8.1326 110.4173 44.2756 0.0000 173.5976 57 N 3.1580 8.0498 121.7866 53.5521 39.4134 173.7538 58 K 4.9924 8.0498 118.4279 55.1307 36.4648 175.2558 59 M 5.1679 9.2954 120.3555 54.0198 35.1100 174.2767 60 V 4.9427 9.0224 125.2716 60.4288 36.0204 174.2452 61 A 4.4151 8.7595 127.2750 52.0030 18.8297 176.5060 62 P 4.6667 0.0000 0.0000 64.4300 32.7912 176.0566 63 V 4.7768 7.4816 111.9918 60.2959 36.6757 173.5644 64 D 4.7053 8.5966 121.7860 54.4639 41.9241 176.1949 65 G 4.8815 8.1933 110.8192 47.3110 0.0000 171.3994 66 T 5.1924 8.0620 115.7883 61.9288 71.6123 174.2502 67 I 4.0958 8.5050 126.4668 61.2232 37.6484 176.2865 68 G 3.9889 9.5171 118.1318 47.6275 0.0000 172.9801 69 K 5.3678 7.8051 117.4238 54.6606 36.5855 174.2188 70 I 5.0001 8.2660 124.0074 59.5888 38.9244 175.8773 71 F 4.6182 9.2712 126.0736 57.4597 39.4508 176.6255 72 E 4.1063 8.9790 119.9992 59.2333 29.7551 178.0000 73 T 4.0780 8.0043 108.5092 62.0661 69.0045 175.8724 74 N 4.5882 8.3800 119.5727 53.9465 37.8336 175.5452 75 H 2.6750 7.5323 112.9581 56.8432 29.0544 174.3701 76 A 4.8625 6.9838 121.2464 50.6188 22.9728 174.6778 77 F 5.5125 8.4627 113.2937 55.9539 42.2176 173.2352 78 S 5.3572 9.3894 115.2067 56.8679 66.0697 173.3321 79 I 5.1192 8.7941 123.1470 59.2137 42.1335 173.5022 80 E 5.1334 8.9651 128.9216 54.2100 31.1614 175.5460 81 S 4.8392 8.9094 122.6187 58.2705 64.0105 175.4417 82 D 4.4375 8.5421 121.0817 57.2085 40.7219 177.6627 83 S 4.4689 8.0916 112.3550 58.3290 62.8446 173.9745 84 G 3.8133 7.7679 106.7994 47.3767 0.0000 174.0438 85 V 5.3227 7.8172 117.9729 59.7936 35.2873 173.8465 86 E 5.0983 8.6167 125.3843 54.6328 32.6002 174.3541 87 L 5.3380 8.9321 126.6943 53.0951 45.6733 175.4013 88 F 5.1563 8.9577 122.4107 56.7317 42.8586 173.2147 89 V 4.3141 7.5626 126.2981 61.0670 33.6709 173.6427 90 H 4.4197 8.0873 127.4983 53.7475 32.4178 172.1707 91 F 4.1365 7.9992 129.6988 58.4697 39.7623 176.8657 92 G 3.9527 7.7615 117.0459 44.7711 0.0000 172.1744 93 I 4.6869 7.7222 111.0273 60.1071 40.0358 174.7212 94 D 4.4815 8.7226 119.8941 55.8697 37.9729 175.0375 95 T 4.3954 7.9131 106.7725 62.3452 69.7923 176.5649 96 V 3.7151 7.5862 116.4943 63.7606 31.8525 177.8525 97 E 4.1307 7.7342 117.5450 58.6541 29.5330 178.2183 98 L 4.0723 7.7848 118.8825 55.4794 41.8762 178.2205 99 K 3.9726 8.5939 115.6532 56.4541 30.5425 174.7236 100 G 3.6792 7.9583 112.6409 45.0462 0.0000 173.7616 101 E 3.9447 8.1231 121.2898 58.7820 29.5128 176.9075 102 G 3.7223 9.4294 114.8108 44.8566 0.0000 171.9187 103 F 5.1421 8.1510 118.1537 55.4766 41.5518 174.3441 104 K 4.5825 8.7553 125.9101 54.4985 33.8345 175.9043 105 R 3.9585 8.7225 126.4761 56.7786 30.2380 174.4907 106 I 4.2705 8.5459 126.1622 62.4365 38.1517 176.8881 107 A 4.2046 7.6901 127.0754 52.5192 19.5928 176.0790 108 E 4.5329 9.0204 120.1964 54.5795 31.1254 176.7805 109 E 3.9381 8.6510 126.3606 58.2663 30.1242 177.9221 110 G 4.9125 7.7275 104.3668 45.6464 0.0000 172.5001 111 Q 4.6416 8.2342 121.3326 54.1412 31.2172 175.1425 112 R 4.3195 8.6350 125.3023 56.8340 30.7287 176.4173 113 V 4.6968 9.2604 119.4871 60.1995 36.4331 175.7243 *114 K 4.8051 8.9134 126.6838 53.1942 34.2838 176.1997 115 V 3.8580 8.1735 119.9962 65.5406 31.7228 176.9223 116 G 3.9940 8.7207 114.3668 45.3912 0.0000 173.3133 117 D 4.4207 7.7572 120.1234 54.6543 41.6346 176.2821 118 T 4.0657 8.6731 120.5833 64.6524 68.6524 174.4125 119 V 4.3365 8.7637 117.0020 61.8154 35.2406 175.7987 120 I 4.9428 7.4682 119.4663 59.8784 41.8016 173.8638 121 E 5.1973 9.2022 125.7569 54.6393 31.9713 174.9966 122 F 5.0121 8.2503 116.7784 55.2160 42.2022 173.4047 123 D 4.8772 8.0590 120.2602 52.0855 39.3077 176.1141 124 L 4.1347 8.9126 124.3584 57.5398 41.9299 176.4766 125 P 4.2746 0.0000 0.0000 65.1911 31.3354 178.1876 126 L 3.9516 7.5576 118.8517 58.3258 41.8935 179.1160 127 L 4.0517 7.8715 118.6352 57.4389 41.2317 178.9278 128 E 4.1171 7.9729 118.5252 58.4140 29.6947 177.7745 129 E 4.0862 7.6534 117.9070 58.5656 29.8071 177.8609 130 K 4.1779 7.9105 117.8549 57.6351 33.2339 176.6953 131 A 4.1803 7.2468 123.8738 52.6070 18.9642 178.5115 132 K 4.2088 8.6577 122.8495 57.3422 32.3720 176.9365 133 S 4.6773 7.7223 111.0663 57.4079 65.1672 173.9621 134 T 4.2522 8.2347 119.1171 61.9127 68.0797 174.6667 135 L 3.8624 7.3939 121.6915 56.5065 42.4146 176.4977 136 T 4.6945 8.3446 121.4469 59.9709 69.5729 171.3340 137 P 4.5246 0.0000 0.0000 62.6594 32.6918 175.5344 138 V 4.4743 8.7675 125.4033 60.0188 33.4778 175.1726 139 V 4.9533 8.4755 118.5570 59.2448 36.0558 175.0986 140 I 4.6227 8.6564 125.5616 61.0960 37.5773 176.7144 141 S 4.5675 8.9781 122.2631 58.7485 64.2467 174.2532 142 N 4.7853 7.9125 119.4467 54.1341 38.5884 175.9236 143 M 4.3518 7.9832 115.7331 56.6652 32.7136 177.4748 144 D 4.4819 8.1791 119.5984 57.6058 41.0822 178.2864 145 E 4.2178 7.9784 115.8540 57.5828 29.6173 176.8625 146 I 4.4796 6.9642 111.9898 58.6139 39.5293 175.6396 147 K 4.1813 8.2688 125.5154 58.9318 32.8808 176.7818 148 E 4.7262 8.0186 119.5026 54.2663 33.4523 173.9049 149 L 4.7078 8.5162 127.3085 53.5200 44.8837 175.1610 150 I 4.4035 8.6686 128.2207 59.8685 39.1004 174.9983 151 K 4.8176 8.5568 126.0740 54.6502 34.1614 176.3368 152 L 4.4877 8.6263 126.0267 54.1947 43.4683 175.0637 153 S 4.4180 8.0697 113.8242 58.1386 66.0891 174.2687 154 G 3.8404 8.5774 107.7394 45.0220 0.0000 172.7289 155 S 4.8006 8.4340 116.2454 58.8402 63.8364 174.3644 156 V 4.6565 8.6469 115.2755 59.9995 36.4294 174.5403 157 T 5.0722 8.8003 119.2461 61.1995 72.0944 174.2396 158 V 3.9421 8.6248 126.1050 63.5628 31.4655 176.8649 159 G 3.9708 9.1701 112.4027 45.7868 0.0000 172.6557 160 E 4.5065 7.9631 115.5998 58.0354 32.2231 176.4053 161 T 4.1417 7.5391 114.8769 62.6460 69.3790 172.3406 162 P 4.7934 0.0000 0.0000 62.9683 31.6347 176.3266 163 V 4.2778 9.1861 117.2364 62.3412 34.1324 175.9578 164 I 5.0684 7.5478 118.6454 59.4574 42.1273 174.9043 165 R 4.9947 8.9523 124.5453 54.8044 32.1628 173.7162 166 I 4.8813 8.5610 120.7814 59.1082 40.4902 174.5160 167 K 4.6873 8.6009 125.6693 54.5579 35.0845 176.2693 168 K 4.2055 8.4333 124.2121 56.6611 32.8284 176.0751 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 G 8.45 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 2 L 7.48 4.13 0.00 1.70 1.37 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.10 5.00 0.00 3.02 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 4 D 8.25 4.47 0.00 2.69 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 5 K 8.01 4.47 0.00 1.77 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 0.99 7.81 6 L 7.35 4.72 0.00 1.77 1.76 0.99 0.82 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 7 K 8.51 4.28 0.00 1.82 1.58 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.00 7.81 8 S 8.16 4.86 0.00 3.92 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 9 L 8.13 4.18 0.00 1.59 1.63 0.91 0.91 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 10 V 7.77 3.88 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 0.82 0.00 0.00 0.93 0.00 0.00 11 S 8.12 4.52 0.00 3.64 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 *19 T 8.46 4.07 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 20 I 8.02 3.95 2.04 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 1.24 0.76 0.92 0.00 0.00 21 E 8.82 5.21 0.00 1.83 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 2.22 2.31 0.00 22 I 8.57 4.44 1.87 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 1.23 0.92 0.91 0.00 0.00 23 I 8.57 4.49 2.06 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 1.18 1.03 0.93 0.00 0.00 24 A 8.99 4.12 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 25 P 0.00 4.35 0.00 2.25 2.38 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 26 L 7.44 4.82 0.00 1.83 1.97 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.69 4.78 0.00 3.95 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 28 G 7.45 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.37 4.73 0.00 1.89 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 2.38 2.27 0.00 30 I 8.34 4.43 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 1.09 0.62 0.91 0.00 0.00 31 V 8.66 4.49 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 0.94 0.00 0.00 0.89 0.00 0.00 32 N 8.70 4.70 0.00 3.11 2.94 0.00 0.00 6.72 7.29 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 33 I 8.40 3.62 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 1.00 0.00 0.00 34 E 8.02 4.58 0.00 2.13 2.30 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 2.28 2.24 0.00 35 D 7.95 4.56 0.00 2.87 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 36 V 7.70 3.75 2.30 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 0.79 0.00 0.00 0.83 0.00 0.00 37 P 0.00 4.59 0.00 2.24 2.10 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 38 D 7.55 4.44 0.00 2.79 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 39 V 8.53 3.79 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.90 0.00 0.00 40 V 7.36 3.71 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 0.75 0.00 0.00 0.35 0.00 0.00 41 F 7.91 4.48 0.00 3.22 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 42 A 8.19 4.31 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.45 0.00 2.22 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 2.22 2.24 0.00 44 K 8.40 4.93 0.00 2.01 1.86 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.49 7.81 45 I 7.39 3.68 1.94 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 1.32 0.63 0.85 0.00 0.00 46 V 7.59 3.71 1.90 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 0.69 0.00 0.00 0.81 0.00 0.00 47 G 6.39 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 48 D 7.88 5.18 0.00 2.74 2.49 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 0.00 0.00 0.00 0.00 49 G 7.43 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 4.79 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.10 0.89 0.00 0.00 51 A 8.58 5.14 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 52 I 7.86 4.83 1.76 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 1.06 0.67 0.93 0.00 0.00 53 K 8.86 4.48 0.00 1.80 1.69 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.33 7.81 54 P 0.00 4.91 0.00 2.28 1.87 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.39 0.00 55 T 8.96 4.68 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 1.24 0.00 0.00 56 G 8.13 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.05 3.16 0.00 2.42 2.46 0.00 0.00 7.11 7.58 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 58 K 8.05 4.99 0.00 1.65 1.62 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.36 7.81 59 M 9.30 5.17 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.96 0.00 60 V 9.02 4.94 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 0.96 0.00 0.00 0.98 0.00 0.00 61 A 8.76 4.42 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 62 P 0.00 4.67 0.00 2.16 2.36 0.00 4.08 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.85 0.00 63 V 7.48 4.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.98 0.00 0.00 64 D 8.60 4.71 0.00 2.62 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 65 G 8.19 4.88 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 66 T 8.06 5.19 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 1.23 0.00 0.00 67 I 8.50 4.10 2.04 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 1.36 1.08 1.05 0.00 0.00 68 G 9.52 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 69 K 7.81 5.37 0.00 2.03 2.02 0.00 1.99 0.00 0.00 2.22 0.00 0.00 2.89 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.51 1.61 7.81 70 I 8.27 5.00 1.95 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 1.24 0.73 1.03 0.00 0.00 71 F 9.27 4.62 0.00 2.83 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 72 E 8.98 4.11 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 73 T 8.00 4.08 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 1.30 0.00 0.00 74 N 8.38 4.59 0.00 3.06 3.09 0.00 0.00 6.66 8.30 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 75 H 7.53 2.68 0.00 2.70 2.61 0.00 5.43 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 6.98 4.86 0.18 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 77 F 8.46 5.51 0.00 3.02 2.99 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 78 S 9.39 5.36 0.00 4.03 3.90 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 79 I 8.79 5.12 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 2.03 0.96 0.00 0.00 80 E 8.97 5.13 0.00 2.10 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 2.22 2.24 0.00 81 S 8.91 4.84 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.44 0.00 2.72 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 83 S 8.09 4.47 0.00 3.99 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 84 G 7.77 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 85 V 7.82 5.32 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 0.81 0.00 0.00 0.94 0.00 0.00 86 E 8.62 5.10 0.00 2.05 1.76 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 2.30 2.46 0.00 87 L 8.93 5.34 0.00 1.56 1.47 0.98 0.82 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 88 F 8.96 5.16 0.00 2.97 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 89 V 7.56 4.31 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 0.00 0.00 0.77 0.00 0.00 0.41 0.00 0.00 90 H 8.09 4.42 0.00 2.38 2.71 0.00 5.64 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.00 4.14 0.00 3.03 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 92 G 7.76 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 93 I 7.72 4.69 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 1.01 0.00 0.00 94 D 8.72 4.48 0.00 2.92 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 95 T 7.91 4.40 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 1.42 0.00 0.00 96 V 7.59 3.72 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 1.00 0.00 0.00 1.00 0.00 0.00 97 E 7.73 4.13 0.00 2.07 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 0.00 2.48 2.32 0.00 98 L 7.78 4.07 0.00 2.10 1.87 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.59 3.97 0.00 1.95 1.93 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.40 7.81 100 G 7.96 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 0.00 101 E 8.12 3.94 0.00 1.98 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 2.32 2.36 0.00 102 G 9.43 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 0.00 0.00 0.00 103 F 8.15 5.14 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 0.00 104 K 8.76 4.58 0.00 1.75 1.73 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.40 7.81 105 R 8.72 3.96 0.00 1.86 1.85 0.00 3.22 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 106 I 8.55 4.27 1.83 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 1.14 0.99 0.88 0.00 0.00 107 A 7.69 4.20 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 0.00 108 E 9.02 4.53 0.00 1.99 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 0.00 2.25 2.23 0.00 109 E 8.65 3.94 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 110 G 7.73 4.91 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 0.00 111 Q 8.23 4.64 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 112 R 8.63 4.32 0.00 1.75 1.89 0.00 3.21 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 113 V 9.26 4.70 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 1.07 0.00 0.00 *114 K 8.91 4.81 0.00 1.45 1.67 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.24 7.81 115 V 8.17 3.86 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 0.91 0.00 0.00 1.09 0.00 0.00 116 G 8.72 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 0.00 117 D 7.76 4.42 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.67 4.07 4.21 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 1.18 0.00 0.00 119 V 8.76 4.34 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.22 0.00 0.00 120 I 7.47 4.94 1.91 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 0.57 1.19 0.00 0.00 121 E 9.20 5.20 0.00 1.86 1.70 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 2.14 2.17 0.00 122 F 8.25 5.01 0.00 2.20 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 0.00 123 D 8.06 4.88 0.00 2.59 2.39 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 0.00 124 L 8.91 4.13 0.00 2.17 1.79 1.33 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.27 0.00 2.19 2.08 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 126 L 7.56 3.95 0.00 1.65 1.80 0.91 0.59 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.18 0.00 0.00 135 L 7.39 3.86 0.00 1.47 1.43 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.34 4.69 4.04 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 0.00 0.00 1.00 0.00 0.00 137 P 0.00 4.52 0.00 1.10 1.33 0.00 3.24 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.51 0.00 138 V 8.77 4.47 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.86 0.00 0.00 139 V 8.48 4.95 2.24 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 0.81 0.00 0.00 1.16 0.00 0.00 140 I 8.66 4.62 1.89 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 1.29 0.89 0.99 0.00 0.00 141 S 8.98 4.57 0.00 3.84 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 0.00 142 N 7.91 4.79 0.00 2.79 2.81 0.00 0.00 7.22 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 0.00 143 M 7.98 4.35 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 144 D 8.18 4.48 0.00 2.70 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 0.00 145 E 7.98 4.22 0.00 2.14 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 2.35 2.25 0.00 146 I 6.96 4.48 1.88 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 1.19 0.52 0.92 0.00 0.00 147 K 8.27 4.18 0.00 1.86 2.03 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 148 E 8.02 4.73 0.00 2.07 1.70 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 2.26 2.35 0.00 149 L 8.52 4.71 0.00 1.64 1.51 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 150 I 8.67 4.40 1.99 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 1.23 0.60 0.91 0.00 0.00 151 K 8.56 4.82 0.00 1.60 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.42 7.81 152 L 8.63 4.49 0.00 1.61 1.62 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.07 4.42 0.00 3.80 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 0.00 154 G 8.58 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 0.00 155 S 8.43 4.80 0.00 3.77 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 0.00 156 V 8.65 4.66 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 0.78 0.00 0.00 1.13 0.00 0.00 157 T 8.80 5.07 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 1.22 0.00 0.00 158 V 8.62 3.94 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 0.68 0.00 0.00 0.98 0.00 0.00 159 G 9.17 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 7.96 4.51 0.00 2.10 1.93 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 2.40 2.37 0.00 161 T 7.54 4.14 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 1.25 0.00 0.00 162 P 0.00 4.79 0.00 1.94 1.98 0.00 3.64 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 2.03 2.12 0.00 163 V 9.19 4.28 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 0.72 0.00 0.00 0.96 0.00 0.00 164 I 7.55 5.07 1.87 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 1.22 0.84 0.98 0.00 0.00 165 R 8.95 4.99 0.00 1.84 1.76 0.00 3.07 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 166 I 8.56 4.88 1.88 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 1.12 0.62 0.92 0.00 0.00 167 K 8.60 4.69 0.00 1.83 1.66 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.53 7.81 168 K 8.43 4.21 0.00 1.74 1.64 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.