NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.2377 8.5445 116.7535 55.1905 31.8052 176.3451 11 E 4.3205 7.7310 116.2306 54.8715 30.0884 177.7788 12 Q 4.7043 8.7098 121.4196 54.9151 32.5368 173.8575 13 E 3.8824 8.5911 123.3386 57.9600 29.5675 174.5803 14 Q 4.8848 7.5035 125.8694 52.4338 31.3293 177.6351 15 Q 4.2713 7.7713 121.0050 56.6816 25.7531 173.6348 16 Q 4.6375 7.9576 122.3844 54.1763 27.8557 175.0584 17 Q 5.2228 8.3708 123.5506 56.2911 31.7032 171.9818 18 Q 3.6017 8.7655 112.8448 58.5976 25.3443 169.8367 19 I 4.5192 7.8477 118.2970 59.5274 37.9327 177.8833 20 I 4.5807 8.0059 123.4393 59.1312 39.6179 173.1980 21 K 4.3635 8.8125 119.6311 57.3605 33.4283 175.5241 22 I 4.2323 7.8910 116.2820 60.2624 36.1571 180.1687 23 R 4.3258 8.0016 125.8762 59.4367 27.6816 183.9071 24 I 3.9376 6.3716 117.0788 61.3233 31.2548 173.9598 25 T 4.8621 7.7924 120.1080 59.9719 70.1448 175.3089 26 L 4.5196 8.5374 133.3221 54.4256 42.1937 173.5029 27 T 4.8000 8.8923 121.8144 59.7347 71.2523 170.1094 28 S 4.7943 9.1885 129.8666 57.1942 66.9865 172.9259 29 T 4.8069 8.5284 111.6949 63.0682 71.2333 169.7160 30 K 4.8690 7.4324 129.6810 55.2412 33.5856 180.9752 31 V 4.2550 8.6548 125.7064 62.6380 38.0155 174.5276 32 K 4.3739 9.2896 125.2904 60.0407 31.5124 181.8818 33 Q 4.3882 8.0986 117.2971 55.1841 27.3460 179.0644 34 L 4.4162 8.9560 127.3054 57.0408 48.8784 179.7784 35 E 4.4370 9.6498 116.1794 57.0516 29.7870 180.3263 36 N 4.5241 8.5174 120.4810 57.3304 37.6058 183.4646 37 V 4.2187 8.0422 117.6766 61.4984 31.1846 179.7156 38 S 4.6385 8.3129 122.3636 61.1320 64.1061 180.0802 39 S 4.1631 8.1370 119.5186 61.5679 62.3739 176.8263 40 N 4.6150 7.9299 119.9871 54.1870 37.9181 176.6159 41 I 3.8262 8.7272 122.6599 60.7707 33.7000 175.6260 42 V 3.8620 6.5794 120.3916 63.1151 32.2986 180.7994 43 K 3.8684 8.8523 125.5774 57.9226 32.3670 181.3626 44 N 5.1194 7.5598 115.2414 51.8111 36.3150 180.2986 45 A 4.9620 7.6732 134.5773 54.0634 20.5220 179.2962 46 E 4.0083 8.1682 113.4462 57.9149 29.7033 183.1557 47 Q 4.3938 7.7522 118.7564 56.2490 28.2782 180.2604 *48 H 4.6815 9.1367 127.1014 54.6092 26.7308 173.6286 49 N 4.4114 8.0276 117.3172 52.3043 37.8359 176.9968 50 L 4.2321 8.3331 118.8340 55.8210 40.9118 177.7169 51 V 3.8825 8.3446 114.9385 62.6942 31.9651 172.7532 52 K 5.3957 8.4247 129.2189 52.1599 31.3369 173.0171 53 K 4.5249 8.4094 127.7780 54.4745 32.0519 176.5978 54 G 4.1345 8.0004 109.8960 45.0220 0.0000 171.1804 55 P 5.3238 0.0000 0.0000 61.5274 31.6164 174.1120 56 V 4.2338 9.1776 125.7371 60.3767 33.6160 176.6943 57 R 4.6592 8.6586 129.8909 55.4642 30.1229 173.4713 58 L 4.4112 8.2390 128.8547 53.8800 41.5555 172.7777 59 P 4.3585 0.0000 0.0000 63.8642 30.1717 179.2132 60 T 4.1135 8.2941 117.3967 61.8659 68.7619 173.8803 61 K 4.2263 8.6900 135.0000 54.6177 32.9637 174.3903 62 V 4.5668 8.3896 127.9685 58.5561 32.1287 171.0254 63 L 4.2368 8.2828 130.9758 55.0483 42.2246 176.0471 64 K 4.8296 8.7613 129.1190 53.0661 35.6561 173.1608 65 I 4.4676 8.7106 127.3898 58.7049 37.8899 172.9904 66 S 4.9602 8.6139 128.3994 57.8257 64.2949 171.4857 67 T 4.1577 8.9773 113.5452 61.4372 71.9388 174.5885 68 R 4.0644 9.0584 130.4705 56.8013 30.0925 173.8946 69 K 4.3029 8.6760 126.8770 56.3544 33.2457 174.0573 70 T 3.3511 8.7530 123.2214 60.3399 67.3246 171.9123 71 P 4.4389 0.0000 0.0000 63.0992 32.1719 172.8915 72 N 4.7524 9.3250 111.0485 51.2201 35.0732 177.1412 73 G 4.1223 8.5835 102.1712 48.8926 0.0000 172.9655 74 E 4.1509 7.8865 115.4669 54.7161 30.1944 178.0717 75 G 4.2716 8.3603 110.6539 46.0672 0.0000 174.1058 76 S 4.5273 9.5252 122.6808 56.6086 61.3429 179.0479 77 K 4.0410 7.8001 120.0535 55.2281 30.3114 181.9979 78 T 3.3857 7.4754 111.8217 59.6285 67.6116 175.1542 *79 W 3.3573 8.0248 135.0000 56.3292 25.4990 175.4774 80 E 4.8209 8.4541 124.5761 54.7874 32.2798 173.4551 81 T 4.7748 8.7204 120.7747 59.9196 71.1079 171.2414 *82 Y 4.6434 8.8450 130.3529 55.7816 40.3408 172.0535 83 E 5.0345 8.5968 116.0697 57.7936 33.5072 176.3610 84 M 5.1325 7.1827 118.5118 58.0797 33.8560 170.3983 85 R 4.2534 8.1791 124.7726 57.0297 30.7350 177.8167 86 I 4.3249 8.4982 128.6002 59.7996 36.5665 171.7372 *87 H 4.9954 8.9003 129.5271 53.4297 30.2950 171.8676 88 K 4.7045 8.4049 126.1129 54.9717 35.7334 175.1863 89 R 5.1702 9.1619 128.0604 54.8098 34.2308 171.1875 *90 Y 4.9333 9.0213 119.2250 57.6241 41.1587 174.2546 91 I 5.3061 8.6554 125.6732 58.2607 38.5771 174.4692 92 D 5.0232 8.5030 129.3330 52.8641 40.3019 176.9017 93 L 4.1351 8.9010 130.3569 55.0884 40.1420 177.9968 94 E 4.6993 8.8928 108.0946 54.3050 34.4773 178.1208 95 A 5.0815 8.5128 124.4150 51.6191 18.3347 175.4175 96 P 4.2384 0.0000 0.0000 63.8514 29.6432 169.5010 97 V 3.2791 7.7437 124.2276 60.6061 31.2132 176.0617 98 Q 4.1484 8.9564 123.2116 55.5926 27.7598 173.1812 99 I 4.5797 7.7542 118.1114 59.8576 38.0726 179.8496 100 V 4.2511 7.7106 128.3614 60.1658 34.4752 168.7562 101 K 3.7649 9.4936 126.4288 57.5019 31.8157 171.9443 102 R 4.2324 8.8358 127.5676 58.0780 27.8279 179.0755 103 I 4.0344 7.8205 114.0624 60.7852 34.7190 178.8437 104 T 4.2680 7.7037 117.5816 60.8441 68.8486 173.9670 105 Q 3.5680 8.8213 133.1973 54.5711 24.8318 171.8563 106 I 4.6149 7.5332 122.3710 59.0948 39.8076 174.5401 107 T 3.5791 9.3602 113.8791 62.5514 66.9308 172.4421 108 I 4.1734 7.8191 113.6799 60.9856 37.0067 171.7276 109 E 3.9998 8.7453 121.7775 56.8201 29.0940 178.2261 110 P 4.2966 0.0000 0.0000 62.6220 31.7273 174.0183 111 G 3.8512 9.9975 113.2494 45.6870 0.0000 174.6000 112 V 4.2509 7.2362 113.1568 59.5233 36.4243 174.7602 113 D 4.2038 8.3298 123.9640 54.3324 38.1178 179.4632 114 V 4.6527 8.1818 124.0080 59.1724 34.0538 172.1462 115 E 4.8334 8.3277 113.9168 57.1858 33.1940 171.0466 116 V 4.6434 8.0616 124.3079 60.3394 30.0577 174.9342 117 V 3.9515 8.2901 124.6704 57.8672 29.0495 169.4715 118 V 3.2525 7.4182 126.7875 60.8028 29.0239 173.6355 119 A 4.8530 8.1243 129.5366 50.4869 22.6777 177.1795 120 S 4.3551 8.4316 114.2550 58.4018 63.3612 172.7138 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 10 E 8.54 4.24 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 11 E 7.73 4.32 0.00 2.03 1.77 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 2.12 1.94 0.00 12 Q 8.71 4.70 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.63 0.00 0.00 0.00 0.00 0.00 2.11 1.72 0.00 13 E 8.59 3.88 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 14 Q 7.50 4.88 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.02 0.00 0.00 0.00 0.00 0.00 2.03 1.66 0.00 15 Q 7.77 4.27 0.00 2.02 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.20 1.82 0.00 16 Q 7.96 4.64 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 17 Q 8.37 5.22 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.91 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 18 Q 8.77 3.60 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.67 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 19 I 7.85 4.52 1.87 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 1.27 1.20 0.91 0.00 0.00 20 I 8.01 4.58 1.87 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 1.27 0.39 0.91 0.00 0.00 21 K 8.81 4.36 0.00 1.65 1.81 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 0.97 7.81 22 I 7.89 4.23 1.87 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 1.27 0.63 0.91 0.00 0.00 23 R 8.00 4.33 0.00 1.97 2.13 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 24 I 6.37 3.94 1.87 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 1.15 0.89 0.91 0.00 0.00 25 T 7.79 4.86 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 26 L 8.54 4.52 0.00 1.32 1.59 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.89 4.80 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 28 S 9.19 4.79 0.00 3.33 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 29 T 8.53 4.81 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 30 K 7.43 4.87 0.00 1.70 0.90 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.97 7.81 31 V 8.65 4.25 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 0.59 0.00 0.00 0.93 0.00 0.00 32 K 9.29 4.37 0.00 1.67 1.87 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.06 7.81 33 Q 8.10 4.39 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 34 L 8.96 4.42 0.00 1.31 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.65 4.44 0.00 1.83 1.87 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 2.26 2.12 0.00 36 N 8.52 4.52 0.00 2.64 2.87 0.00 0.00 6.95 7.67 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 37 V 8.04 4.22 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 38 S 8.31 4.64 0.00 3.62 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 39 S 8.14 4.16 0.00 3.65 3.89 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 40 N 7.93 4.61 0.00 2.73 2.65 0.00 0.00 6.64 7.72 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 41 I 8.73 3.83 1.87 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 1.27 0.97 0.91 0.00 0.00 42 V 6.58 3.86 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 0.63 0.00 0.00 0.93 0.00 0.00 43 K 8.85 3.87 0.00 1.65 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.26 7.81 44 N 7.56 5.12 0.00 2.77 2.72 0.00 0.00 6.84 7.34 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 45 A 7.67 4.96 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 46 E 8.17 4.01 0.00 2.04 1.88 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 2.26 2.13 0.00 47 Q 7.75 4.39 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 5.66 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 *48 H 9.14 4.68 0.00 3.12 3.17 0.00 7.20 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 49 N 8.03 4.41 0.00 2.73 2.67 0.00 0.00 6.51 7.79 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 50 L 8.33 4.23 0.00 1.65 1.56 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.34 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 0.86 0.00 0.00 0.93 0.00 0.00 52 K 8.42 5.40 0.00 1.74 1.64 0.00 1.66 0.00 0.00 2.40 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.93 7.81 53 K 8.41 4.52 0.00 1.77 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.00 7.81 54 G 8.00 4.13 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 0.00 55 P 0.00 5.32 0.00 1.82 1.81 0.00 3.73 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 1.82 1.55 0.00 56 V 9.18 4.23 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 0.63 0.00 0.00 0.93 0.00 0.00 57 R 8.66 4.66 0.00 1.58 1.75 0.00 3.22 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.00 58 L 8.24 4.41 0.00 1.61 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.36 0.00 2.19 2.20 0.00 3.72 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 1.79 1.54 0.00 60 T 8.29 4.11 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 61 K 8.69 4.23 0.00 1.41 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.26 7.81 62 V 8.39 4.57 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 0.89 0.00 0.00 0.93 0.00 0.00 63 L 8.28 4.24 0.00 1.33 1.59 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.76 4.83 0.00 1.47 1.55 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.97 7.81 65 I 8.71 4.47 1.87 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 1.09 0.66 0.91 0.00 0.00 66 S 8.61 4.96 0.00 3.38 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 67 T 8.98 4.16 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 68 R 9.06 4.06 0.00 1.58 1.80 0.00 3.22 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.26 0.00 69 K 8.68 4.30 0.00 1.56 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.26 7.81 70 T 8.75 3.35 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 71 P 0.00 4.44 0.00 2.08 1.89 0.00 3.68 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 1.95 1.61 0.00 72 N 9.33 4.75 0.00 2.79 2.76 0.00 0.00 6.43 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.58 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 74 E 7.89 4.15 0.00 1.91 1.89 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 2.31 1.88 0.00 75 G 8.36 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 0.00 0.00 0.00 0.00 76 S 9.53 4.53 0.00 3.76 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 77 K 7.80 4.04 0.00 1.85 2.01 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.24 7.81 78 T 7.48 3.39 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 *79 W 8.02 3.36 0.00 2.69 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 0.00 0.00 0.00 0.00 80 E 8.45 4.82 0.00 1.63 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 2.21 1.85 0.00 81 T 8.72 4.77 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 *82 Y 8.84 4.64 0.00 1.98 2.18 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 83 E 8.60 5.03 0.00 1.93 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 2.10 1.82 0.00 84 M 7.18 5.13 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 85 R 8.18 4.25 0.00 1.59 1.78 0.00 3.22 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 86 I 8.50 4.32 1.87 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 1.09 0.56 0.91 0.00 0.00 *87 H 8.90 5.00 0.00 2.60 2.94 0.00 7.20 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.40 4.70 0.00 1.40 1.66 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.00 7.81 89 R 9.16 5.17 0.00 1.45 1.79 0.00 3.18 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 *90 Y 9.02 4.93 0.00 1.92 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 0.00 0.00 0.00 91 I 8.66 5.31 1.87 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 1.08 1.63 0.91 0.00 0.00 92 D 8.50 5.02 0.00 2.33 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 93 L 8.90 4.14 0.00 1.66 1.34 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.89 4.70 0.00 1.92 1.68 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 2.11 1.83 0.00 95 A 8.51 5.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.24 0.00 2.27 2.05 0.00 3.90 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 1.83 1.57 0.00 97 V 7.74 3.28 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 0.64 0.00 0.00 0.93 0.00 0.00 98 Q 8.96 4.15 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.81 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 99 I 7.75 4.58 1.87 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 1.16 1.24 0.91 0.00 0.00 100 V 7.71 4.25 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 0.90 0.00 0.00 0.93 0.00 0.00 101 K 9.49 3.76 0.00 1.93 1.68 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 0.98 7.81 102 R 8.84 4.23 0.00 1.90 2.04 0.00 3.22 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 103 I 7.82 4.03 1.87 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 1.27 1.10 0.91 0.00 0.00 104 T 7.70 4.27 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 0.00 105 Q 8.82 3.57 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.79 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 106 I 7.53 4.61 1.87 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 1.27 1.23 0.91 0.00 0.00 107 T 9.36 3.58 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 0.00 108 I 7.82 4.17 1.87 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 1.27 0.85 0.91 0.00 0.00 109 E 8.75 4.00 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 2.23 1.89 0.00 110 P 0.00 4.30 0.00 2.08 1.88 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 111 G 10.00 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 0.00 112 V 7.24 4.25 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 0.93 0.00 0.00 113 D 8.33 4.20 0.00 2.74 2.67 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 0.00 114 V 8.18 4.65 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 0.88 0.00 0.00 0.93 0.00 0.00 115 E 8.33 4.83 0.00 1.83 1.78 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 2.21 1.87 0.00 116 V 8.06 4.64 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 0.69 0.00 0.00 0.93 0.00 0.00 117 V 8.29 3.95 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 0.93 0.00 0.00 118 V 7.42 3.25 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 0.93 0.00 0.00 119 A 8.12 4.85 1.20 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 0.00 0.00 120 S 8.43 4.36 0.00 3.59 3.58 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 * Residues marked with a * may have inaccurate shift predictions.