NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3203 8.2601 123.5900 52.1469 19.9127 176.6762 3 A 4.2175 8.5568 124.1656 51.7673 19.7580 171.2822 4 V 4.8539 8.5794 116.1997 61.2002 34.9446 173.1152 5 T 4.7247 9.2000 124.3312 61.8942 71.7255 172.7292 6 Q 5.2200 8.8417 125.1224 54.5276 30.9125 175.2623 7 S 4.8527 9.1443 119.6437 56.0793 66.7606 172.5107 8 P 4.8012 0.0000 0.0000 62.2317 32.4935 176.4927 9 R 4.2259 8.4872 117.8030 58.7186 31.0839 176.4548 10 N 5.5266 8.0395 113.7811 51.3112 42.8933 174.1382 11 K 4.5429 9.0811 122.4348 54.8032 36.0613 174.8717 12 V 4.7832 8.6010 126.8783 61.3230 33.0793 174.3270 13 A 4.9844 9.1739 129.9339 50.1626 22.6235 174.7147 14 V 4.4432 8.8046 119.6215 61.1093 33.6854 175.6021 15 T 4.0856 8.5039 122.9006 65.7529 68.7318 173.2380 16 G 4.1695 9.0404 114.4757 44.7363 0.0000 173.9685 17 E 4.1478 8.0866 119.4046 55.8831 30.6933 176.5417 18 K 4.5905 8.5478 125.3173 56.3889 33.2447 175.9833 19 V 4.3785 8.9521 127.4290 61.2880 34.4075 174.0152 20 T 4.8208 8.4780 123.9064 61.7329 70.9534 173.2112 21 L 4.7122 8.9995 127.6642 52.8221 44.0588 175.6769 22 S 5.3937 9.2736 118.6097 55.8742 66.2488 172.1692 23 C 5.4732 9.4190 121.8633 55.0867 44.1616 172.4270 24 Q 5.4167 9.3316 125.6556 54.0724 31.4810 174.6569 25 Q 5.1883 9.0216 121.4826 54.3908 31.5296 175.2275 26 T 4.5627 8.7865 110.3440 61.8690 69.6770 175.5784 27 N 4.0782 8.3047 119.5219 54.0925 38.8426 174.8773 28 N 4.1459 8.1160 114.4330 54.3749 37.5615 173.2566 29 H 4.4527 8.1948 113.1867 55.0792 29.2930 175.4876 30 N 4.4141 8.9587 121.6323 55.9846 38.8862 174.9800 31 N 5.0542 8.2332 114.9103 51.9294 41.0559 174.4515 32 M 5.0486 7.9924 120.5729 53.8149 36.8792 174.0241 33 Y 5.1858 8.8569 117.3969 56.3262 43.0921 174.1614 34 W 5.4835 9.5446 122.8144 55.3052 32.2653 174.3466 35 Y 5.4822 10.0733 121.9989 56.2320 41.7823 174.4148 36 R 4.6688 8.9291 121.2444 54.5746 33.1652 174.2599 37 Q 5.0065 9.2492 127.4031 54.3179 31.1412 174.3309 38 D 4.7113 8.5309 126.3029 53.6613 42.7560 176.3105 39 T 3.8996 8.4283 117.6509 65.6585 68.6164 174.9346 40 G 3.8094 9.1032 114.3740 45.5869 0.0000 171.7281 41 H 4.8720 8.0136 115.7568 53.5327 31.9586 172.9254 42 G 3.9907 8.1882 107.9732 45.0320 0.0000 173.0143 43 L 4.5376 8.2228 120.0799 54.6702 42.2263 177.1126 44 R 4.7678 9.2569 124.1068 54.1912 32.7993 175.3127 45 L 4.0619 8.6121 126.1141 55.3925 42.8764 176.5488 46 I 4.0178 9.0871 128.2708 63.4588 38.1512 175.4002 47 H 5.6165 8.0245 117.1657 54.8528 33.8990 171.3607 48 Y 5.4277 8.7318 118.0797 56.3167 42.2333 173.4036 49 S 4.5527 8.1390 112.6067 57.4163 65.6943 174.2271 50 Y 4.5794 9.4445 124.2265 57.3851 38.4466 175.4913 51 G 3.9536 7.1249 109.8993 44.6489 0.0000 171.8816 52 V 3.8364 7.9081 118.9412 64.7374 31.4520 176.3023 53 G 3.9710 9.1851 115.8260 45.1526 0.0000 172.5277 54 N 4.9124 7.8176 118.4862 51.8560 40.4697 173.8033 55 T 4.8763 8.2176 114.4238 59.9435 72.1386 172.8889 56 E 4.5581 8.7146 122.5273 54.0679 33.4965 175.3561 57 K 4.3112 8.6869 123.5227 56.3330 32.4618 177.4872 58 G 4.2548 8.7403 119.2993 47.2590 0.0000 174.6554 59 D 4.8211 9.2249 121.7626 54.7270 41.8478 177.4679 60 I 4.6870 7.1563 109.8660 59.0570 37.2647 173.8465 61 P 4.2995 0.0000 0.0000 65.6574 32.2721 177.3251 62 D 4.3040 8.0209 118.9377 55.7315 41.6158 176.0713 63 G 3.6349 8.7382 114.6897 45.4044 0.0000 172.2735 *65 Y 5.0884 7.2214 115.2555 58.1155 39.2191 174.1774 66 E 4.8472 9.1844 120.9020 54.6132 33.5282 174.5895 67 A 5.0187 8.0760 121.2740 50.5369 23.0329 175.4028 68 S 4.4817 8.7678 112.9301 56.9871 66.2782 173.1730 69 R 5.0514 8.9713 127.6269 53.3222 29.2386 173.8980 70 P 4.3993 0.0000 0.0000 64.1057 32.4173 177.0224 71 S 4.6478 7.5780 112.3143 56.6130 65.8062 174.5661 72 Q 3.9111 8.7343 122.2889 58.7501 28.9037 176.8951 73 E 4.3876 7.9264 112.9453 56.3596 30.7017 175.0066 74 Q 5.1568 7.9208 121.8397 54.4414 32.9170 173.7409 75 F 5.2946 9.4747 127.6646 57.1235 42.7789 173.1842 76 S 5.3354 9.3008 122.9586 56.7392 65.7753 172.8672 77 L 4.6118 8.3968 125.2414 53.0414 44.4639 174.9798 78 I 4.6968 8.5894 126.8889 59.4968 40.4232 174.5088 79 L 4.6486 9.0197 128.7518 52.9672 42.0267 178.0083 80 V 3.5312 8.3364 125.0459 64.3670 31.5826 176.4221 81 S 4.4333 7.5282 115.6897 55.8650 64.0591 172.3236 82 A 4.3802 8.9879 128.6035 52.6061 19.3645 176.2500 83 T 4.8492 8.8032 110.8194 59.0206 72.1088 173.3638 84 P 4.2194 0.0000 0.0000 65.8002 31.5237 178.6375 85 S 4.3166 7.9788 110.9099 60.3705 63.1776 174.7177 86 Q 4.4761 8.0683 119.2035 56.4114 28.8998 176.1162 87 S 4.4503 7.9001 115.8990 59.3259 63.5132 173.9343 88 S 4.5351 8.3549 117.6348 58.3242 67.7515 174.1244 89 V 4.8945 7.4361 118.3204 61.4663 33.6878 174.5331 90 Y 5.2482 9.2022 125.8286 56.3995 40.8501 174.7330 91 F 5.4050 9.7455 121.6063 56.0451 42.8565 173.6369 92 C 4.6337 9.2344 123.4174 55.5416 46.7452 172.0203 93 A 5.2668 8.8288 124.0519 50.3803 22.7480 175.3746 94 S 5.1683 8.8100 114.6196 56.5063 66.6494 173.1540 95 G 4.6516 8.4183 107.3822 46.6634 0.0000 171.9929 96 V 4.6566 7.5793 117.6129 60.8062 34.3002 175.1638 97 G 3.6591 8.9179 111.0048 47.2349 0.0000 174.8874 98 G 3.8514 8.6872 112.4356 46.2054 0.0000 173.1685 99 T 4.2618 8.0251 118.4673 63.2266 69.7888 173.6922 100 L 5.0037 8.4163 124.8539 53.1543 45.1773 175.6564 101 Y 4.3010 9.2710 122.0390 56.1878 39.8457 174.7272 *108 F 4.8824 8.5078 122.0948 57.0085 40.5159 175.4768 109 G 4.1192 9.1386 109.7319 45.8944 0.0000 173.4408 110 A 4.4663 8.7761 121.1783 52.5214 19.0471 178.7895 111 G 3.1705 8.7364 101.1756 45.3255 0.0000 173.1982 112 T 5.2915 8.3247 116.5137 60.3771 72.0508 173.5474 113 R 4.5062 8.6384 126.4857 55.7298 31.7312 175.2750 114 L 5.1848 9.3792 126.5003 53.2048 45.3552 174.7608 115 S 4.9825 9.0524 120.9731 56.5556 64.9233 172.4552 116 V 4.7091 8.8033 128.3256 61.3549 32.7149 175.5916 117 L 4.4067 8.8350 127.4102 54.8470 41.3581 176.4081 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 2 A 8.26 4.32 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 3 A 8.56 4.22 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.58 4.85 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 0.87 0.00 0.00 1.05 0.00 0.00 5 T 9.20 4.72 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 1.26 0.00 0.00 6 Q 8.84 5.22 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 7 S 9.14 4.85 0.00 3.76 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 8 P 0.00 4.80 0.00 2.41 2.05 0.00 3.75 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 1.97 1.96 0.00 9 R 8.49 4.23 0.00 1.78 2.04 0.00 3.26 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 10 N 8.04 5.53 0.00 2.55 2.67 0.00 0.00 6.57 7.61 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 11 K 9.08 4.54 0.00 1.77 1.55 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.38 7.81 12 V 8.60 4.78 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.17 4.98 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 14 V 8.80 4.44 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 0.94 0.00 0.00 0.92 0.00 0.00 15 T 8.50 4.09 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 1.19 0.00 0.00 16 G 9.04 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 0.00 0.00 0.00 0.00 17 E 8.09 4.15 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 18 K 8.55 4.59 0.00 1.72 1.66 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.48 7.81 19 V 8.95 4.38 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 0.77 0.00 0.00 0.85 0.00 0.00 20 T 8.48 4.82 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 21 L 9.00 4.71 0.00 0.63 1.19 0.18 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.27 5.39 0.00 4.15 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 23 C 9.42 5.47 0.00 2.81 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 24 Q 9.33 5.42 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 25 Q 9.02 5.19 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.14 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 26 T 8.79 4.56 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 1.21 0.00 0.00 27 N 8.30 4.08 0.00 2.58 1.90 0.00 0.00 7.02 8.00 0.00 0.00 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 N 8.12 4.15 0.00 2.76 2.77 0.00 0.00 7.05 7.89 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 29 H 8.19 4.45 0.00 3.24 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.96 4.41 0.00 2.72 2.90 0.00 0.00 6.96 8.00 0.00 0.00 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 N 8.23 5.05 0.00 2.80 2.04 0.00 0.00 6.78 7.24 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 32 M 7.99 5.05 0.00 1.75 1.14 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 33 Y 8.86 5.19 0.00 2.99 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.54 5.48 0.00 3.28 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 35 Y 10.07 5.48 0.00 3.24 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 36 R 8.93 4.67 0.00 1.66 1.69 0.00 3.09 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.00 37 Q 9.25 5.01 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 38 D 8.53 4.71 0.00 2.75 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 39 T 8.43 3.90 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 1.21 0.00 0.00 40 G 9.10 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.01 4.87 0.00 3.19 3.22 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.19 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 43 L 8.22 4.54 0.00 1.29 1.37 0.11 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.26 4.77 0.00 1.77 1.89 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 45 L 8.61 4.06 0.00 1.68 1.55 0.60 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.09 4.02 1.86 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.71 0.50 0.00 0.00 47 H 8.02 5.62 0.00 3.15 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.73 5.43 0.00 2.59 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 49 S 8.14 4.55 0.00 3.14 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 50 Y 9.44 4.58 0.00 3.07 2.83 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 51 G 7.12 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 52 V 7.91 3.84 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 0.81 0.00 0.00 0.91 0.00 0.00 53 G 9.19 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 54 N 7.82 4.91 0.00 2.71 2.87 0.00 0.00 6.91 7.25 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 55 T 8.22 4.88 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 1.33 0.00 0.00 56 E 8.71 4.56 0.00 1.16 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 1.94 1.79 0.00 57 K 8.69 4.31 0.00 1.67 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.49 7.81 58 G 8.74 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 59 D 9.22 4.82 0.00 2.61 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.16 4.69 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.96 0.00 0.00 61 P 0.00 4.30 0.00 2.24 2.14 0.00 3.88 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 2.03 1.98 0.00 62 D 8.02 4.30 0.00 2.69 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 63 G 8.74 3.63 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 0.00 0.00 0.00 *65 Y 7.22 5.09 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 9.18 4.85 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 67 A 8.08 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.77 4.48 0.00 3.85 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 69 R 8.97 5.05 0.00 2.05 1.88 0.00 3.66 0.00 0.00 3.08 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 70 P 0.00 4.40 0.00 2.24 2.19 0.00 4.20 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 1.99 0.00 71 S 7.58 4.65 0.00 3.98 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 72 Q 8.73 3.91 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 73 E 7.93 4.39 0.00 2.20 2.27 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 2.24 2.38 0.00 74 Q 7.92 5.16 0.00 2.45 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 75 F 9.47 5.29 0.00 2.98 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 76 S 9.30 5.34 0.00 3.72 3.65 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 0.00 0.00 0.00 0.00 77 L 8.40 4.61 0.00 0.27 0.13 0.68 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.59 4.70 1.77 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 1.13 0.47 0.83 0.00 0.00 79 L 9.02 4.65 0.00 1.45 1.44 0.73 0.85 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 80 V 8.34 3.53 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 0.61 0.00 0.00 0.88 0.00 0.00 81 S 7.53 4.43 0.00 3.81 3.66 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 82 A 8.99 4.38 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 83 T 8.80 4.85 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 1.21 0.00 0.00 84 P 0.00 4.22 0.00 2.20 2.17 0.00 3.58 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 2.12 2.09 0.00 85 S 7.98 4.32 0.00 4.00 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 86 Q 8.07 4.48 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 87 S 7.90 4.45 0.00 3.82 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.35 4.54 0.00 3.77 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.44 4.89 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 0.61 0.00 0.00 0.96 0.00 0.00 90 Y 9.20 5.25 0.00 3.04 3.11 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 91 F 9.75 5.41 0.00 3.15 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 92 C 9.23 4.63 0.00 1.46 2.55 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 93 A 8.83 5.27 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.81 5.17 0.00 3.98 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 95 G 8.42 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.58 4.66 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 0.68 0.00 0.00 0.94 0.00 0.00 97 G 8.92 3.66 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 0.00 0.00 0.00 98 G 8.69 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 0.00 0.00 0.00 99 T 8.03 4.26 4.42 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 1.51 0.00 0.00 100 L 8.42 5.00 0.00 1.35 0.95 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.27 4.30 0.00 2.97 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 *108 F 8.51 4.88 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.14 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 0.00 110 A 8.78 4.47 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 0.00 111 G 8.74 3.17 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 0.00 112 T 8.32 5.29 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 113 R 8.64 4.51 0.00 1.79 1.88 0.00 3.08 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 114 L 9.38 5.18 0.00 1.73 1.76 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.05 4.98 0.00 3.93 3.69 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 0.00 116 V 8.80 4.71 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 0.82 0.00 0.00 0.94 0.00 0.00 117 L 8.83 4.41 0.00 1.50 1.54 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.