NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1410 8.0932 114.7948 57.6991 64.5475 174.0457 2 L 3.8490 8.0489 119.4116 57.3337 41.0369 178.7828 3 F 4.4272 8.8338 122.2696 61.4205 39.6092 176.4738 4 E 3.5506 7.9612 117.2034 59.3273 29.2699 178.6279 5 L 3.9623 7.9707 120.1808 58.4981 42.0088 179.0146 6 G 3.7435 8.7386 105.8941 47.8837 0.0000 174.8410 7 K 3.6530 7.9810 123.0130 59.4254 32.0402 178.3334 8 M 3.8315 8.4160 118.6825 58.5235 31.8337 178.7943 9 I 3.5604 7.8974 120.0643 64.1717 37.1187 178.1242 10 L 4.1241 8.0600 122.6927 57.7619 41.7425 178.7436 11 Q 3.5221 8.0083 116.8027 59.0330 28.6262 179.0961 12 E 4.2124 8.1599 118.4199 59.7549 30.0467 179.1532 13 T 4.0702 8.4782 110.2380 64.2899 68.9275 176.4018 *15 G 4.2396 7.7505 107.1040 44.4504 0.0000 172.6272 16 K 4.1956 7.7587 120.0451 54.9738 33.3815 175.7443 17 N 4.3546 8.5319 119.6718 53.3362 39.3083 173.8146 18 P 4.3546 0.0000 0.0000 65.8553 31.5855 178.2430 19 A 4.0281 8.0193 118.5499 55.1103 18.2426 179.5766 20 K 3.9459 9.0265 116.4424 59.9627 32.2835 179.4838 21 S 4.7306 7.9022 115.3246 59.7697 62.8075 174.7842 22 Y 4.9041 7.7236 115.7358 57.5026 38.9371 176.8015 23 G 3.7773 8.4167 111.2480 48.0687 0.0000 173.7731 24 A 4.9828 7.4915 121.5027 51.4929 20.4387 172.7458 25 Y 4.8588 9.3754 121.9431 56.6246 42.7514 175.6427 26 G 3.5909 7.9357 115.6459 46.7858 0.0000 173.4558 27 C 4.8694 9.1654 120.0727 56.9145 41.0887 173.9057 28 N 4.9268 8.4984 115.3105 54.2021 41.6400 174.8690 29 C 4.6640 8.3702 117.2884 54.6569 38.5775 171.8609 30 G 4.3090 7.2760 109.5864 43.9626 0.0000 171.3348 31 V 3.9196 8.2935 111.5052 63.2131 32.2733 178.5859 32 L 4.4392 7.7370 119.8537 54.5765 43.0183 176.4518 33 G 4.1249 8.2875 111.9083 46.9059 0.0000 174.0073 34 R 4.8457 8.3549 123.9234 54.8552 32.3599 175.2701 35 G 4.3294 9.3079 107.3100 44.5978 0.0000 173.0042 36 K 4.0795 8.6965 120.9999 55.9535 32.4716 175.7077 37 P 4.5526 0.0000 0.0000 62.8138 31.8214 176.8167 38 K 3.9209 8.9597 122.6728 58.7207 32.5629 176.2142 39 D 4.4252 7.1996 115.5738 51.5952 41.5835 174.9317 40 A 3.9022 8.7459 119.7898 56.1566 18.0754 179.5149 41 T 3.7912 8.0462 113.4024 67.2734 68.5447 175.9001 42 D 4.5611 8.9564 119.7030 57.5021 41.1594 178.3351 43 R 3.8743 8.4375 119.6455 59.4109 29.9890 177.4245 44 C 4.1189 8.3825 116.7629 60.6238 38.5038 175.3909 45 C 4.1255 7.8913 116.1263 60.2262 39.2177 175.5924 46 Y 4.0930 7.9628 120.9438 60.8092 38.3079 178.2733 47 V 3.7066 8.3810 119.3699 66.6078 31.6154 177.4145 48 H 3.7877 8.5726 118.0459 59.1888 29.5650 177.3740 49 K 3.6818 8.4579 120.8286 59.3495 31.6494 178.6643 50 C 4.1752 8.0574 116.3566 60.0076 40.1445 174.8464 51 C 4.2973 8.4203 119.8426 60.0417 39.9206 175.0170 52 Y 4.4190 7.8127 118.1252 61.1316 37.2260 178.4383 53 K 3.7697 7.7995 118.2797 59.5169 32.3105 178.2749 *57 K 4.3289 7.8556 115.4056 55.8911 34.0453 176.0730 58 L 4.1800 8.0810 119.8525 54.5007 42.0396 176.4341 59 T 4.3951 8.7039 117.1772 61.4636 69.6523 172.5899 60 G 3.8070 8.6670 116.4756 45.4343 0.0000 171.8786 61 C 4.6104 7.7724 112.9038 54.5275 41.0325 172.6450 *67 N 4.8999 8.2727 118.2241 52.9266 39.1210 173.2642 68 P 3.9839 0.0000 0.0000 65.8482 31.4126 179.8665 69 K 4.0008 8.2324 121.8704 57.8845 32.1920 183.6441 70 K 4.1118 10.7800 119.7755 56.5974 32.0597 179.1029 71 D 4.4422 8.0288 120.4939 54.4481 40.7379 176.7747 72 R 4.6826 8.6145 123.0172 55.0899 31.4119 174.6814 73 Y 4.8963 7.6150 116.1760 56.3303 40.5683 172.9035 74 S 5.1243 10.7700 115.3251 56.7412 64.9951 172.2491 75 Y 5.1349 8.2292 122.7196 55.9274 41.0983 173.7184 76 S 4.6682 9.7868 116.2366 56.5888 65.6670 172.7225 77 W 5.4414 8.6179 132.6513 55.2712 29.7851 172.5539 78 K 4.1904 8.6707 123.3287 55.3215 33.2881 176.2184 79 D 3.9988 8.9493 126.8437 56.1020 38.4739 173.4121 80 K 2.0000 6.8541 110.4223 56.4878 30.2143 176.3187 81 T 4.4665 6.0123 113.2589 61.8459 73.4478 174.6336 82 I 4.5793 8.7727 127.5933 61.5976 37.8980 175.8172 83 V 4.2553 9.4455 129.7444 60.9838 33.0064 174.2210 84 C 4.6489 8.9358 126.6897 57.5188 39.8254 174.0872 85 G 3.6944 8.5702 111.3463 47.5478 0.0000 174.0240 86 E 4.1627 8.5222 121.5575 57.7945 29.9474 177.0837 *87 N 4.7742 8.4717 117.3455 52.7372 40.0167 174.9132 88 N 4.2203 7.9693 116.2330 53.8653 39.0073 172.5821 *90 P 4.4227 0.0000 0.0000 62.4157 34.0892 178.8356 91 C 4.0765 8.1809 116.5410 60.2684 41.8507 176.2415 92 L 3.8182 7.8710 119.6017 57.4696 41.2453 179.2496 93 K 3.7558 8.3966 119.9252 59.5129 32.1843 178.4133 94 E 3.8654 8.6857 119.1353 59.4156 29.3649 179.0429 95 L 3.9120 8.4094 120.4033 58.3795 42.0536 177.9227 96 C 3.5362 7.9057 119.7256 58.9207 39.2391 175.3175 97 E 3.7896 8.4552 120.1324 59.6586 29.0163 178.7386 98 C 4.2616 8.5425 116.7185 60.3813 41.5578 176.0741 99 D 4.3510 8.5783 120.6652 57.0260 40.2878 178.7648 100 K 3.7850 8.7063 120.4679 59.4673 32.2396 178.5678 101 A 3.9740 8.5046 121.5859 55.2328 18.1626 180.0447 102 V 3.4422 7.8255 117.3666 64.7046 31.4894 178.4045 103 A 3.8034 7.9531 121.5480 54.8108 18.1312 179.6438 104 I 3.5898 7.9380 118.4570 64.6655 37.2407 177.7313 105 C 4.5109 8.4362 120.7920 59.0744 43.2085 175.3790 106 L 3.7436 8.1979 120.2375 57.8102 41.3984 179.1315 107 R 4.0139 7.9311 118.2881 59.8038 29.9175 178.2088 108 E 3.9863 8.4809 118.4180 58.8973 29.3399 178.2684 109 N 4.9895 7.7953 114.3572 53.1149 39.0855 176.7262 110 L 4.2805 8.1616 124.1302 57.6862 41.3493 179.6539 111 G 3.7017 8.2343 107.2370 47.8707 0.0000 174.2125 112 T 4.5722 7.7104 108.0552 61.1594 69.2212 173.5913 113 Y 4.0915 7.9140 124.1027 58.1291 39.3719 174.3125 114 N 5.2332 9.2060 125.9852 51.4310 40.7312 175.1335 115 K 4.1328 8.7662 125.9300 59.2241 32.3358 178.6838 116 L 4.0865 7.9322 117.3114 56.3012 41.6289 177.1113 117 Y 4.4327 7.3105 116.2994 58.0005 38.4890 175.9819 118 R 4.1039 7.3168 119.8262 57.4426 30.4717 175.9200 119 Y 3.7450 8.4274 119.0651 59.2162 36.0641 170.3349 120 H 4.3506 8.1550 118.1022 55.7063 30.8105 174.5375 121 L 3.9931 7.7736 126.4525 54.1739 42.4126 177.1542 122 K 4.1166 8.6365 124.2534 59.1344 32.5162 176.8459 123 P 4.2064 0.0000 0.0000 65.8630 31.2556 178.0352 *125 F 4.9260 7.7260 112.6298 57.2501 40.2551 174.7246 126 C 5.1111 8.4449 118.9566 54.7276 41.0922 174.3629 127 K 4.0072 8.7186 123.4656 56.7601 33.0151 175.8311 *129 K 4.4134 8.4912 123.8948 56.2156 33.0195 175.2713 130 A 4.4137 8.6691 129.9764 51.7355 19.2935 176.9261 131 D 4.6209 8.6297 121.3053 53.7174 41.6611 176.3700 132 D 4.4561 8.5123 121.6004 53.4726 39.9331 177.2250 133 C 4.3370 8.8260 117.7313 57.7490 41.1864 173.8063 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 S 8.09 5.14 0.00 4.30 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 0.00 2 L 8.05 3.85 0.00 1.79 1.87 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.83 4.43 0.00 3.03 3.02 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 0.00 0.00 0.00 0.00 4 E 7.96 3.55 0.00 1.71 1.80 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 1.47 2.17 0.00 5 L 7.97 3.96 0.00 1.87 1.92 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.74 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 0.00 0.00 0.00 7 K 7.98 3.65 0.00 1.47 1.90 0.00 1.13 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.32 7.81 8 M 8.42 3.83 0.00 1.85 2.11 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.77 0.00 9 I 7.90 3.56 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.89 0.00 0.00 10 L 8.06 4.12 0.00 1.73 1.75 0.82 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.01 3.52 0.00 1.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 12 E 8.16 4.21 0.00 1.91 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 0.00 2.48 2.36 0.00 13 T 8.48 4.07 4.30 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 0.00 0.00 1.17 0.00 0.00 *15 G 7.75 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 0.00 0.00 0.00 0.00 16 K 7.76 4.20 0.00 1.83 1.55 0.00 1.52 0.00 0.00 1.36 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.31 7.81 17 N 8.53 4.35 0.00 2.73 2.69 0.00 0.00 7.00 7.71 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 18 P 0.00 4.35 0.00 2.23 2.16 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 19 A 8.02 4.03 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 20 K 9.03 3.95 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.74 7.81 21 S 7.90 4.73 0.00 2.97 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 22 Y 7.72 4.90 0.00 3.05 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 23 G 8.42 3.78 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 0.00 0.00 0.00 24 A 7.49 4.98 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 25 Y 9.38 4.86 0.00 3.02 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 26 G 7.94 3.59 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 0.00 0.00 0.00 27 C 9.17 4.87 0.00 2.96 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 28 N 8.50 4.93 0.00 3.00 2.88 0.00 0.00 6.94 6.96 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 29 C 8.37 4.66 0.00 3.51 3.42 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 30 G 7.28 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 31 V 8.29 3.92 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 0.79 0.00 0.00 0.97 0.00 0.00 32 L 7.74 4.44 0.00 1.66 1.64 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.29 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 34 R 8.35 4.85 0.00 1.51 1.51 0.00 2.47 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.00 35 G 9.31 4.33 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 0.00 36 K 8.70 4.08 0.00 1.63 1.75 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.65 1.58 7.81 37 P 0.00 4.55 0.00 1.85 1.88 0.00 3.37 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.88 0.00 38 K 8.96 3.92 0.00 0.79 0.74 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 0.95 7.81 39 D 7.20 4.43 0.00 2.83 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 40 A 8.75 3.90 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 41 T 8.05 3.79 4.46 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 0.00 0.00 0.00 0.80 0.00 0.00 42 D 8.96 4.56 0.00 2.96 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 43 R 8.44 3.87 0.00 1.94 1.97 0.00 3.09 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.41 0.00 44 C 8.38 4.12 0.00 3.07 3.04 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 0.00 45 C 7.89 4.13 0.00 3.18 3.27 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 46 Y 7.96 4.09 0.00 3.18 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 47 V 8.38 3.71 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 0.96 0.00 0.00 1.04 0.00 0.00 48 H 8.57 3.79 0.00 3.11 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.46 3.68 0.00 1.73 1.71 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.55 7.81 50 C 8.06 4.18 0.00 3.08 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 51 C 8.42 4.30 0.00 3.02 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 52 Y 7.81 4.42 0.00 3.23 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 53 K 7.80 3.77 0.00 1.98 1.90 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 *57 K 7.86 4.33 0.00 2.02 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 58 L 8.08 4.18 0.00 1.62 1.56 0.76 0.85 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 59 T 8.70 4.40 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 1.20 0.00 0.00 60 G 8.67 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 61 C 7.77 4.61 0.00 3.28 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 *67 N 8.27 4.90 0.00 2.74 2.94 0.00 0.00 7.68 7.71 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 68 P 0.00 3.98 0.00 1.43 0.49 0.00 3.47 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 69 K 8.23 4.00 0.00 1.68 1.80 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.00 7.81 70 K 10.78 4.11 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.27 7.81 71 D 8.03 4.44 0.00 2.89 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 72 R 8.61 4.68 0.00 1.81 1.96 0.00 3.26 0.00 0.00 2.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 73 Y 7.62 4.90 0.00 3.36 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 74 S 10.77 5.12 0.00 3.98 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 0.00 75 Y 8.23 5.13 0.00 3.17 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 76 S 9.79 4.67 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 77 W 8.62 5.44 0.00 3.42 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 78 K 8.67 4.19 0.00 1.79 1.59 0.00 1.78 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.50 7.81 79 D 8.95 4.00 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.85 2.00 0.00 1.57 1.64 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.26 7.81 81 T 6.01 4.47 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 1.16 0.00 0.00 82 I 8.77 4.58 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.97 0.64 0.00 0.00 83 V 9.45 4.26 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 1.00 0.00 0.00 0.99 0.00 0.00 84 C 8.94 4.65 0.00 3.03 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 85 G 8.57 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 0.00 0.00 0.00 86 E 8.52 4.16 0.00 1.92 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 2.39 2.44 0.00 *87 N 8.47 4.77 0.00 2.72 2.70 0.00 0.00 6.67 7.99 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 88 N 7.97 4.22 0.00 2.80 2.75 0.00 0.00 7.21 7.71 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 *90 P 0.00 4.42 0.00 2.23 2.02 0.00 3.89 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 2.00 2.07 0.00 91 C 8.18 4.08 0.00 2.97 3.09 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 92 L 7.87 3.82 0.00 1.73 1.73 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.40 3.76 0.00 1.95 2.08 0.00 1.48 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 E 8.69 3.87 0.00 2.27 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 0.00 2.32 2.31 0.00 95 L 8.41 3.91 0.00 1.64 1.87 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.91 3.54 0.00 1.76 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 97 E 8.46 3.79 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 2.50 2.47 0.00 98 C 8.54 4.26 0.00 3.38 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 99 D 8.58 4.35 0.00 2.95 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 0.00 100 K 8.71 3.78 0.00 1.69 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.43 7.81 101 A 8.50 3.97 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 0.00 102 V 7.83 3.44 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 0.58 0.00 0.00 0.68 0.00 0.00 103 A 7.95 3.80 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 0.00 104 I 7.94 3.59 2.04 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 1.56 0.81 0.94 0.00 0.00 105 C 8.44 4.51 0.00 2.97 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 0.00 106 L 8.20 3.74 0.00 1.41 1.13 -0.23 0.46 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 0.00 107 R 7.93 4.01 0.00 1.85 2.11 0.00 3.14 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 108 E 8.48 3.99 0.00 2.16 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 2.33 2.66 0.00 109 N 7.80 4.99 0.00 2.74 2.83 0.00 0.00 6.91 6.78 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 0.00 110 L 8.16 4.28 0.00 1.89 1.74 0.95 0.81 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 0.00 111 G 8.23 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 0.00 0.00 0.00 112 T 7.71 4.57 4.33 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 1.26 0.00 0.00 113 Y 7.91 4.09 0.00 3.05 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 0.00 114 N 9.21 5.23 0.00 2.71 2.33 0.00 0.00 6.84 6.15 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 0.00 115 K 8.77 4.13 0.00 1.89 1.93 0.00 1.85 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.87 1.60 7.81 116 L 7.93 4.09 0.00 1.28 1.43 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.31 4.43 0.00 1.58 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 0.00 0.00 0.00 0.00 118 R 7.32 4.10 0.00 1.50 0.66 0.00 3.31 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 119 Y 8.43 3.75 0.00 3.11 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 0.00 120 H 8.15 4.35 0.00 3.32 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.77 3.99 0.00 0.44 0.84 0.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.64 4.12 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.49 7.81 123 P 0.00 4.21 0.00 2.42 2.28 0.00 3.39 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 2.16 0.00 *125 F 7.73 4.93 0.00 3.00 3.04 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 0.00 126 C 8.44 5.11 0.00 3.09 3.04 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 0.00 127 K 8.72 4.01 0.00 1.77 1.75 0.00 1.60 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.53 7.81 *129 K 8.49 4.41 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 130 A 8.67 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.63 4.62 0.00 2.80 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 0.00 132 D 8.51 4.46 0.00 2.79 2.69 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 0.00 133 C 8.83 4.34 0.00 2.94 3.04 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 0.00 * Residues marked with a * may have inaccurate shift predictions.