NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3214 8.3193 116.7757 58.3688 64.2785 173.4369 3 H 4.1967 8.2024 119.4857 54.5129 29.3015 173.7264 4 L 4.1030 7.5699 120.9664 54.4883 43.0587 178.2940 5 R 4.0536 8.0690 118.8445 55.2185 30.6180 175.9230 6 I 2.9789 7.3971 122.5258 59.0204 38.0837 174.0527 7 P 4.1796 0.0000 0.0000 62.5485 31.7383 177.5471 8 K 4.0073 8.5789 120.2233 59.0504 32.0946 177.8406 9 N 4.7315 8.1784 114.1306 53.3929 38.0959 175.3924 10 W 4.7439 8.1114 118.9362 57.1836 30.0047 175.0312 11 T 5.1479 8.8876 109.0973 60.1682 72.2414 173.1193 12 I 3.6529 7.5931 123.9518 61.5073 37.0291 175.6008 13 Q 4.2523 9.3942 129.5130 58.2836 30.5209 175.3078 14 R 4.9043 7.6122 116.3459 55.4426 33.7837 173.9548 15 S 5.1875 8.4231 119.6504 56.8935 66.4283 174.1798 16 T 4.2442 8.8007 115.9501 60.9606 69.7663 172.0652 17 P 4.2695 0.0000 0.0000 60.8727 33.0890 175.2659 18 F 4.4477 7.8465 116.7633 57.9584 39.4830 175.1452 19 F 5.4458 9.0144 120.6647 56.1100 43.1369 174.0458 20 T 5.5193 9.5367 110.3359 58.8042 72.2830 174.5352 21 K 4.1012 9.0869 121.7673 58.6593 32.1665 176.6421 22 D 4.8414 7.6003 116.0682 53.4462 40.2585 176.4934 23 N 5.0499 8.0509 115.3624 52.0868 38.3225 174.3973 24 V 3.2987 7.7815 119.1907 60.2042 32.5732 174.1539 25 P 4.1884 0.0000 0.0000 62.5667 31.0452 176.9634 26 E 3.9861 8.9738 121.4036 59.0435 29.1898 179.1390 27 A 4.0380 7.8898 121.8240 55.2584 18.5704 179.3751 28 L 3.6163 7.8875 117.4161 57.5109 41.4611 178.9465 29 L 4.5647 7.2543 114.8824 55.3153 41.8045 175.8007 30 T 4.8089 7.3824 112.6801 59.6627 71.0859 172.8372 31 H 4.6281 8.9621 120.8935 57.1623 29.0172 174.6191 32 H 5.2358 9.4215 117.9381 54.6724 32.3949 172.0090 33 N 5.4662 7.9880 115.6181 50.0758 41.2095 173.4091 34 T 4.8177 8.2899 108.7396 60.4564 71.1603 174.4942 35 A 4.4813 8.4193 125.3832 51.6717 19.4034 178.3550 36 V 3.7044 8.5221 117.7194 66.2870 31.5022 177.0038 37 D 5.1870 7.9215 118.3425 54.2818 41.6603 175.3917 38 V 5.2601 7.9411 117.3197 61.2095 34.5399 174.3631 39 F 4.9721 10.2617 130.5716 56.5472 41.4800 174.4002 40 G 4.3192 9.3110 114.3612 45.5933 0.0000 172.2279 41 Q 4.9842 9.1246 125.6058 54.2926 31.8003 174.5577 42 I 4.8352 8.5905 129.3613 60.6047 38.0966 174.5402 43 C 5.1538 8.9642 126.0610 58.6149 29.8478 174.0345 44 V 4.6098 8.7291 123.8271 61.5374 34.0691 174.1583 *46 E 4.1678 8.4710 121.5553 57.4233 30.9554 177.8229 47 G 3.6695 8.6583 108.7507 44.0904 0.0000 171.9150 48 V 4.8012 8.4925 118.6905 61.1676 35.4327 175.8232 49 V 4.7772 8.8351 127.7213 61.2624 34.2310 173.9521 50 T 4.8679 8.7540 118.7741 60.4240 70.9601 172.8475 51 Y 4.8546 9.2268 128.4939 56.3195 40.8412 173.5878 52 Y 4.9765 8.6640 124.1694 56.0230 41.3265 174.8931 53 G 4.3677 8.7697 110.5409 44.3053 0.0000 171.7702 54 F 5.3532 8.2816 119.3999 54.9997 42.5803 176.4011 55 A 4.4869 9.0906 124.4682 55.4257 18.7448 176.8175 56 N 4.7904 7.5115 109.4251 52.3154 40.2266 175.3281 57 S 2.9797 8.3749 112.1006 60.3040 62.8235 174.7052 58 E 4.2086 8.1859 118.9352 55.7035 29.5368 175.6134 59 A 4.2849 7.5478 122.7549 51.9887 19.3022 177.7272 60 T 4.0936 8.4446 115.3766 62.1154 68.9826 173.9376 61 E 4.6422 8.0368 122.2279 53.2457 30.4700 173.5386 62 P 4.5325 0.0000 0.0000 63.3217 31.7004 175.6836 63 E 4.6831 8.7519 116.8093 56.5696 31.0799 175.6625 64 I 4.7108 7.4480 120.3403 59.5102 41.8960 173.1955 65 K 4.8834 8.4939 128.6268 54.7369 35.2296 175.3694 66 V 4.4017 8.6133 126.1808 61.3373 35.2092 173.9446 67 V 4.4952 8.3880 120.8267 60.0114 33.1794 175.1458 68 I 4.4315 8.9231 126.7090 59.6880 39.6202 175.0279 69 N 5.4188 9.1113 124.0669 50.8951 41.5737 174.4071 70 A 4.3601 7.6982 123.3291 54.2128 18.7353 178.6881 71 G 3.9944 9.1932 109.9720 45.2759 0.0000 172.9073 72 Q 4.8612 7.8919 118.0810 54.1539 32.6619 174.1591 73 F 5.4435 7.9119 113.1910 55.9011 40.9813 173.0259 74 A 4.9413 8.9174 121.4397 50.3196 22.7228 174.8773 75 T 5.1611 8.2035 107.7466 60.1004 72.3037 173.3680 76 S 4.8991 9.5188 118.5316 55.7533 65.3334 171.7998 77 P 3.3433 0.0000 0.0000 61.2288 32.7750 174.0299 78 P 4.6369 0.0000 0.0000 63.8011 31.4907 176.5937 79 Q 3.6485 8.4786 120.2101 56.4652 27.1398 172.5507 80 Y 4.5373 7.6799 120.7718 56.8618 39.9480 174.6979 81 W 4.6271 8.5589 127.1763 57.1027 30.8522 175.0316 82 H 5.2113 9.1402 118.7868 55.6336 31.9064 172.0730 83 R 5.2393 8.6843 113.9738 55.2375 32.5698 174.0097 84 I 5.2777 8.5270 112.3903 59.2915 41.4398 173.8298 85 E 4.9154 9.1301 122.9662 54.7282 32.3870 175.1749 86 L 5.0791 8.5610 123.2470 53.1234 44.6887 176.1609 87 S 4.6791 8.1834 115.9074 57.1681 64.8677 175.0609 88 D 4.4568 8.9061 120.1440 56.6715 40.7524 177.3118 89 D 4.8565 7.9754 116.4301 52.5870 39.7281 175.3574 90 A 4.4645 7.7784 122.7137 52.6727 19.6691 177.3370 91 Q 5.0266 9.5114 123.1977 53.9617 31.7103 173.6029 92 F 5.5825 8.7946 121.0615 55.6319 42.5033 172.6214 93 N 5.0965 9.1754 114.6393 51.8324 41.0939 173.3539 94 I 5.0917 8.5228 119.7521 59.6126 40.9621 174.2579 95 N 4.9621 8.7911 123.7246 51.4384 41.3491 173.6207 96 F 5.2693 9.1099 122.9407 55.8960 41.1080 174.8595 97 W 5.4865 9.8911 124.5430 55.3531 32.0047 175.2176 98 S 5.2163 9.5418 116.7264 56.0246 65.3961 174.1064 99 D 3.4539 7.2777 123.1315 55.8573 41.5538 175.6240 100 Q 4.5024 7.6687 115.3259 53.2876 32.9103 173.9957 101 D 5.2096 8.4133 118.2691 54.2831 41.7077 175.7761 102 K 4.4216 8.6597 123.7380 56.0586 32.9849 175.4858 103 S 4.4181 7.6171 115.9821 62.5998 61.5365 173.0290 104 G 3.8232 8.4878 115.4019 45.4194 0.0000 172.5247 105 K 4.3972 8.0285 119.8696 54.7568 34.3103 175.5626 106 K 4.1830 7.9005 119.9573 56.1293 34.0712 175.6370 *108 F 4.6365 8.2580 113.0042 57.3377 39.0785 172.9895 109 N 5.0390 8.2705 117.8662 52.1611 41.4803 174.9260 110 T 4.9713 8.4233 108.7629 62.5572 72.1624 173.2678 111 K 4.0933 8.5742 124.6315 57.5812 32.2634 176.3434 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 S 8.32 4.32 0.00 3.76 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 3 H 8.20 4.20 0.00 3.20 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.57 4.10 0.00 1.75 1.69 0.83 0.95 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 5 R 8.07 4.05 0.00 1.72 1.77 0.00 3.10 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 6 I 7.40 2.98 0.94 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.01 0.00 0.00 7 P 0.00 4.18 0.00 2.12 2.01 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 8 K 8.58 4.01 0.00 1.76 1.90 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 9 N 8.18 4.73 0.00 2.93 3.04 0.00 0.00 6.07 8.88 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 10 W 8.11 4.74 0.00 3.37 3.54 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 11 T 8.89 5.15 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 1.34 0.00 0.00 12 I 7.59 3.65 1.32 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.57 0.00 0.00 13 Q 9.39 4.25 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 14 R 7.61 4.90 0.00 1.93 1.82 0.00 3.18 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 15 S 8.42 5.19 0.00 3.61 3.55 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 16 T 8.80 4.24 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 1.55 0.00 0.00 17 P 0.00 4.27 0.00 1.92 1.89 0.00 3.42 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.77 0.00 18 F 7.85 4.45 0.00 2.86 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 19 F 9.01 5.45 0.00 2.05 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 9.54 5.52 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 1.25 0.00 0.00 21 K 9.09 4.10 0.00 1.79 1.94 0.00 1.71 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.54 7.81 22 D 7.60 4.84 0.00 2.91 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 23 N 8.05 5.05 0.00 2.87 2.96 0.00 0.00 6.96 9.02 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 24 V 7.78 3.30 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 0.84 0.00 0.00 0.90 0.00 0.00 25 P 0.00 4.19 0.00 2.10 2.10 0.00 2.44 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 26 E 8.97 3.99 0.00 2.18 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 2.37 2.34 0.00 27 A 7.89 4.04 1.37 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 0.00 0.00 28 L 7.89 3.62 0.00 1.78 1.74 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.25 4.56 0.00 1.81 1.72 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.38 4.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 31 H 8.96 4.63 0.00 2.98 3.40 0.00 5.97 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.42 5.24 0.00 3.46 3.47 0.00 5.21 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 33 N 7.99 5.47 0.00 2.41 1.48 0.00 0.00 6.61 7.10 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 34 T 8.29 4.82 4.54 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 1.60 0.00 0.00 35 A 8.42 4.48 1.31 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 36 V 8.52 3.70 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 0.85 0.00 0.00 0.93 0.00 0.00 37 D 7.92 5.19 0.00 2.58 2.32 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 38 V 7.94 5.26 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 1.25 0.00 0.00 1.03 0.00 0.00 39 F 10.26 4.97 0.00 3.22 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 40 G 9.31 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.12 4.98 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 42 I 8.59 4.84 2.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 1.06 0.00 0.00 43 C 8.96 5.15 0.00 3.18 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 44 V 8.73 4.61 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 1.18 0.00 0.00 1.01 0.00 0.00 *46 E 8.47 4.17 0.00 1.93 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 2.24 2.21 0.00 47 G 8.66 3.67 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 0.00 48 V 8.49 4.80 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 0.93 0.00 0.00 1.00 0.00 0.00 49 V 8.84 4.78 1.99 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 0.54 0.00 0.00 0.66 0.00 0.00 50 T 8.75 4.87 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 1.22 0.00 0.00 51 Y 9.23 4.85 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.66 4.98 0.00 2.81 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.28 5.35 0.00 3.08 2.91 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 55 A 9.09 4.49 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 56 N 7.51 4.79 0.00 2.88 2.99 0.00 0.00 6.64 7.17 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 57 S 8.37 2.98 0.00 2.85 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 58 E 8.19 4.21 0.00 1.95 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 2.11 2.27 0.00 59 A 7.55 4.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 61 E 8.04 4.64 0.00 2.00 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 2.27 2.42 0.00 62 P 0.00 4.53 0.00 2.20 1.82 0.00 3.95 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 63 E 8.75 4.68 0.00 2.03 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 2.47 2.37 0.00 64 I 7.45 4.71 1.93 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 1.26 1.52 1.15 0.00 0.00 65 K 8.49 4.88 0.00 1.58 1.49 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.57 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.05 0.65 7.81 66 V 8.61 4.40 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 0.80 0.00 0.00 0.82 0.00 0.00 67 V 8.39 4.50 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 68 I 8.92 4.43 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.92 0.00 0.00 69 N 9.11 5.42 0.00 2.73 2.71 0.00 0.00 6.45 6.79 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 70 A 7.70 4.36 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 71 G 9.19 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 72 Q 7.89 4.86 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 73 F 7.91 5.44 0.00 3.01 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 74 A 8.92 4.94 1.08 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 0.00 0.00 75 T 8.20 5.16 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 1.23 0.00 0.00 76 S 9.52 4.90 0.00 4.03 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 77 P 0.00 3.34 0.00 1.88 1.86 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.63 0.00 78 P 0.00 4.64 0.00 2.06 2.28 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 79 Q 8.48 3.65 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 80 Y 7.68 4.54 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.56 4.63 0.00 3.31 3.18 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 82 H 9.14 5.21 0.00 2.66 3.04 0.00 5.28 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.68 5.24 0.00 1.94 2.17 0.00 2.72 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 84 I 8.53 5.28 1.80 0.00 0.00 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 1.42 0.91 0.95 0.00 0.00 85 E 9.13 4.92 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 2.23 2.32 0.00 86 L 8.56 5.08 0.00 1.57 1.64 1.22 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.18 4.68 0.00 3.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.91 4.46 0.00 2.71 2.80 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 89 D 7.98 4.86 0.00 2.80 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.78 4.46 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.51 5.03 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.63 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 92 F 8.79 5.58 0.00 3.42 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 93 N 9.18 5.10 0.00 2.43 2.76 0.00 0.00 7.19 7.81 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 94 I 8.52 5.09 1.76 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.40 0.00 0.00 95 N 8.79 4.96 0.00 2.70 2.42 0.00 0.00 6.61 7.75 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 96 F 9.11 5.27 0.00 3.17 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 97 W 9.89 5.49 0.00 3.54 3.54 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 98 S 9.54 5.22 0.00 3.87 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 99 D 7.28 3.45 0.00 1.58 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 0.00 0.00 0.00 0.00 100 Q 7.67 4.50 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 101 D 8.41 5.21 0.00 2.58 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 0.00 102 K 8.66 4.42 0.00 1.77 1.72 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.37 7.81 103 S 7.62 4.42 0.00 3.98 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 0.00 104 G 8.49 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.03 4.40 0.00 1.67 1.73 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.33 7.81 106 K 7.90 4.18 0.00 1.59 1.65 0.00 1.42 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.30 7.81 *108 F 8.26 4.64 0.00 3.40 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.27 5.04 0.00 2.68 2.86 0.00 0.00 6.81 7.10 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 0.00 110 T 8.42 4.97 4.49 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 1.31 0.00 0.00 111 K 8.57 4.09 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.55 7.81 * Residues marked with a * may have inaccurate shift predictions.