NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3072 0.0000 0.0000 62.6204 32.4324 173.7157 5 G 3.9634 7.2865 105.9762 44.8176 0.0000 168.6131 6 Y 4.3416 9.2455 117.3604 55.8089 41.1566 173.8479 7 Y 4.4492 7.9933 118.8027 58.8375 38.6414 176.9582 8 E 4.9160 8.7681 120.5622 56.2668 30.2193 178.0248 9 L 4.0000 7.8527 121.8161 59.1893 40.3767 178.4679 10 Y 4.5030 7.8318 116.0738 60.0617 37.6419 177.8379 11 R 4.2833 8.2357 118.4555 58.1063 30.3505 177.8206 12 R 4.3724 8.0120 116.7326 55.7090 30.7820 176.4644 13 S 4.6218 7.6371 114.8698 57.4910 64.8155 175.4520 14 T 3.8607 8.6155 116.7321 67.0055 68.1288 176.7156 15 I 3.9004 7.8870 120.0686 63.9029 38.1954 177.9860 16 G 3.1230 8.1862 106.3935 47.3979 0.0000 175.3622 17 N 4.3306 8.5737 119.7835 56.5148 38.8844 177.2965 18 S 4.1339 7.9974 116.5430 61.2415 62.8341 176.3743 19 L 3.8384 7.6125 122.7688 58.0248 41.7998 179.1630 20 V 3.5444 7.5375 118.0356 65.9001 31.4946 177.7105 21 D 4.2809 8.0017 118.3726 57.3847 40.6176 178.4921 22 A 3.9856 8.0985 121.2153 55.3624 18.3626 179.6778 23 L 3.9404 8.3128 117.7594 58.0690 41.5715 179.5573 24 D 4.4181 8.2131 119.1776 57.3058 40.7222 178.8839 25 T 3.8818 7.8852 110.3789 64.7654 68.8157 176.7829 26 L 4.0577 7.7830 121.8898 57.3080 41.6017 179.5698 27 I 3.9085 7.5372 119.9282 64.4035 36.8919 178.6276 28 S 4.2079 8.1185 113.9112 61.1345 62.9347 175.4729 29 D 4.6076 7.9255 120.6285 54.0962 40.8049 176.8084 30 G 3.8995 7.7640 107.3638 46.6054 0.0000 175.0985 31 R 4.2267 8.4499 120.4435 57.1779 30.5478 176.4801 32 I 4.6003 7.1867 109.0674 58.5146 40.7902 174.3823 33 E 4.4744 8.4119 119.9613 55.1261 32.0387 177.3964 34 A 4.0398 8.4979 123.3703 55.3940 18.4488 180.3091 35 S 4.0555 8.0563 112.3304 61.6901 62.9705 176.4703 36 L 3.9656 7.8166 123.2252 57.5638 41.9025 178.5971 37 A 3.9698 7.8467 120.5995 55.5092 18.3509 179.5273 38 M 4.0431 8.3596 117.5497 58.5682 32.0688 179.0430 39 R 4.2311 8.0934 120.2231 58.7529 30.1150 178.8137 40 V 3.6535 7.7609 118.3632 65.8803 31.5459 178.0200 41 L 4.0480 8.0393 118.8244 57.9362 41.6115 179.3699 42 E 4.4294 8.2910 119.7903 58.8660 29.2852 179.4641 43 T 4.0090 7.7910 115.7215 66.1670 68.4728 176.5218 44 F 4.0431 8.5348 122.9755 61.5260 39.2231 176.6988 45 D 4.3188 8.2488 118.3255 57.3373 40.6640 179.0107 46 K 2.5457 7.2166 118.4807 59.1093 32.0990 178.9528 47 V 3.3927 7.6129 118.7857 65.9524 31.2224 178.1865 48 V 3.1540 7.5218 118.0050 65.6909 30.7599 177.8704 49 A 3.8458 7.3867 120.4135 55.1643 18.2130 179.4481 50 E 3.9899 8.0869 116.9951 59.5900 29.5855 179.5607 51 T 3.8569 8.0948 116.2799 66.5541 68.2820 176.8865 52 L 3.9547 7.8318 120.1128 57.1945 41.6332 178.9775 53 K 4.1426 7.4858 118.4292 58.4914 32.3340 177.5962 54 D 4.8830 8.0764 116.4649 54.0437 41.8273 176.4624 55 N 5.0487 8.2287 116.6234 52.9666 39.8061 173.6931 56 T 4.6321 8.0098 111.8053 60.3378 69.7780 173.1424 57 Q 4.3728 8.5302 126.5538 57.0942 31.5242 175.8242 58 S 4.2291 7.9835 111.9808 59.0316 63.3220 174.5084 59 K 4.3173 8.2631 121.6280 55.4126 34.0391 175.7755 60 L 4.9723 8.2760 124.4181 54.3672 43.3048 175.6359 61 T 4.7487 8.5801 108.2183 60.0108 72.4232 172.8710 62 V 4.8953 8.3897 122.9796 61.1269 34.3099 174.6782 63 K 4.4886 8.5553 126.0018 54.8757 35.6822 176.2604 64 G 3.7945 7.9844 111.5324 45.9967 0.0000 170.6705 65 N 4.8161 7.7999 117.8339 51.3675 40.5195 174.4888 66 L 4.2690 8.5409 126.6424 55.2777 41.8977 175.8096 67 D 4.6534 9.3090 128.3720 57.2500 41.9230 176.6351 68 T 4.9470 7.7978 112.9641 62.3190 73.1725 172.4856 69 Y 5.8914 7.3417 121.2972 54.8616 41.9284 174.3416 70 G 4.1614 8.5508 103.1123 45.6163 0.0000 172.5508 71 F 5.0431 8.5299 124.8999 55.6855 41.8406 173.2046 72 C 4.1216 7.4102 125.1698 58.8324 34.4729 173.0166 73 D 3.9099 8.9433 123.3049 55.4794 36.6340 173.2384 74 D 4.3417 7.2631 112.9480 55.0509 39.8782 172.1060 75 V 4.6467 6.7283 116.2097 60.2219 34.8034 173.9412 76 W 5.1543 8.9909 127.3398 55.3420 31.7952 175.1529 77 T 5.0208 8.6133 120.3439 61.7650 71.7525 173.0309 78 F 5.6260 9.6216 124.1419 55.8924 43.7280 173.9438 79 I 4.7597 9.1258 123.9934 59.8213 39.4688 174.5246 80 V 4.7092 9.0080 128.8187 61.3052 33.1597 174.8793 81 K 4.8422 9.0010 127.2871 54.8923 35.0847 175.4363 82 N 4.2892 8.0901 118.3137 54.7548 36.4177 172.5965 83 C 5.1132 8.3299 113.7595 56.5456 34.6077 174.6658 84 Q 4.9310 9.2260 118.5999 54.3553 30.2834 175.0113 85 V 4.7920 9.1861 126.1371 61.4245 33.5524 174.4075 86 T 4.6345 8.6936 118.6888 60.2196 71.0695 174.2732 87 V 4.3484 8.2066 125.9643 62.2565 33.9670 173.6711 88 E 4.0680 8.9621 123.0336 56.6613 27.3602 174.9416 *105 V 3.9863 7.3880 115.2702 62.6706 32.5326 174.3312 106 I 4.6404 9.4789 127.9095 59.5979 40.6272 174.5512 107 S 4.9687 8.6977 122.6555 57.4245 64.2821 173.7625 108 V 4.4223 8.6701 124.7258 60.8988 34.0138 175.7186 109 D 4.4933 8.9614 127.9888 56.3717 40.3326 176.1888 110 K 5.0769 7.7663 117.2750 55.0078 35.6430 175.2560 111 L 4.5351 9.0443 128.6748 53.9532 45.5088 174.2327 112 R 4.9285 8.7289 127.4301 55.4587 31.5036 175.2170 113 I 4.6196 9.3349 127.5149 59.5092 40.2188 174.5267 114 V 4.8757 8.6110 126.6152 61.0289 33.5907 174.3879 115 A 4.8034 9.2917 129.3652 50.4217 22.6210 174.4821 116 C 4.7795 8.2491 117.1145 57.3823 31.1184 173.2396 117 N 4.7260 7.7677 118.4383 53.8431 38.5841 175.5239 118 S 4.4644 9.0810 119.9747 59.6028 63.8324 173.9476 119 K 4.6396 7.7627 119.4668 54.6743 34.9169 175.9385 120 K 4.1327 8.4604 119.4904 56.7851 32.1544 176.5284 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 4 P 0.00 4.31 0.00 2.17 2.14 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 5 G 7.29 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 6 Y 9.25 4.34 0.00 2.91 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 7 Y 7.99 4.45 0.00 3.08 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 8 E 8.77 4.92 0.00 2.07 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 2.65 2.44 0.00 9 L 7.85 4.00 0.00 1.72 1.79 0.61 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.83 4.50 0.00 3.25 3.10 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 0.00 0.00 0.00 0.00 11 R 8.24 4.28 0.00 1.95 2.01 0.00 3.24 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.13 0.00 12 R 8.01 4.37 0.00 1.91 1.99 0.00 3.15 0.00 0.00 3.38 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 13 S 7.64 4.62 0.00 4.19 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 0.00 14 T 8.62 3.86 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 15 I 7.89 3.90 1.96 0.00 0.00 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 1.76 1.42 1.14 0.00 0.00 16 G 8.19 3.12 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 17 N 8.57 4.33 0.00 2.98 2.81 0.00 0.00 7.18 7.21 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 18 S 8.00 4.13 0.00 4.07 3.87 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 0.00 0.00 0.00 19 L 7.61 3.84 0.00 1.63 1.45 0.64 0.88 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 20 V 7.54 3.54 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 0.99 0.00 0.00 nan 0.00 0.00 21 D 8.00 4.28 0.00 2.97 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 22 A 8.10 3.99 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 23 L 8.31 3.94 0.00 2.00 1.70 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.21 4.42 0.00 2.82 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 25 T 7.89 3.88 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 1.27 0.00 0.00 26 L 7.78 4.06 0.00 1.79 1.75 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.54 3.91 2.01 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 1.57 1.15 0.91 0.00 0.00 28 S 8.12 4.21 0.00 4.01 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 29 D 7.93 4.61 0.00 2.89 2.75 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 0.00 0.00 0.00 30 G 7.76 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 0.00 0.00 0.00 31 R 8.45 4.23 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 32 I 7.19 4.60 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 1.41 0.45 0.91 0.00 0.00 33 E 8.41 4.47 0.00 2.00 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 2.35 2.30 0.00 34 A 8.50 4.04 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 35 S 8.06 4.06 0.00 4.06 4.15 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 0.00 0.00 0.00 0.00 36 L 7.82 3.97 0.00 1.78 1.88 0.93 1.21 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 37 A 7.85 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 38 M 8.36 4.04 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 39 R 8.09 4.23 0.00 2.05 2.04 0.00 3.31 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 40 V 7.76 3.65 2.25 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 1.08 0.00 0.00 0.96 0.00 0.00 41 L 8.04 4.05 0.00 2.10 1.76 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.29 4.43 0.00 2.19 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 0.00 2.39 2.58 0.00 43 T 7.79 4.01 4.43 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 1.19 0.00 0.00 44 F 8.53 4.04 0.00 3.19 3.24 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 45 D 8.25 4.32 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.22 2.55 0.00 0.95 1.56 0.00 1.51 0.00 0.00 1.40 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.02 0.40 7.81 47 V 7.61 3.39 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 0.90 0.00 0.00 0.84 0.00 0.00 48 V 7.52 3.15 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 0.23 0.00 0.00 -0.44 0.00 0.00 49 A 7.39 3.85 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.99 0.00 1.94 1.95 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 2.31 2.41 0.00 51 T 8.09 3.86 4.10 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 0.00 0.00 0.00 1.15 0.00 0.00 52 L 7.83 3.95 0.00 1.52 1.68 0.44 1.12 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 53 K 7.49 4.14 0.00 1.88 2.01 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 54 D 8.08 4.88 0.00 2.66 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 55 N 8.23 5.05 0.00 2.71 2.74 0.00 0.00 6.68 7.11 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 56 T 8.01 4.63 4.36 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 1.27 0.00 0.00 57 Q 8.53 4.37 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 58 S 7.98 4.23 0.00 3.90 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 59 K 8.26 4.32 0.00 1.68 1.70 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.62 7.81 60 L 8.28 4.97 0.00 1.87 1.67 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.58 4.75 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 1.20 0.00 0.00 62 V 8.39 4.90 2.04 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 0.83 0.00 0.00 0.93 0.00 0.00 63 K 8.56 4.49 0.00 1.71 1.61 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.33 7.81 64 G 7.98 3.79 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 0.00 0.00 0.00 65 N 7.80 4.82 0.00 2.76 2.76 0.00 0.00 7.09 6.89 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 66 L 8.54 4.27 0.00 1.66 1.68 1.10 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 D 9.31 4.65 0.00 2.71 2.84 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 68 T 7.80 4.95 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 1.15 0.00 0.00 69 Y 7.34 5.89 0.00 3.42 3.30 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 0.00 70 G 8.55 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 71 F 8.53 5.04 0.00 1.51 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 0.00 0.00 0.00 72 C 7.41 4.12 0.00 2.68 2.41 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 73 D 8.94 3.91 0.00 2.62 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 74 D 7.26 4.34 0.00 2.87 2.65 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 75 V 6.73 4.65 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 0.82 0.00 0.00 0.80 0.00 0.00 76 W 8.99 5.15 0.00 3.31 2.51 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 0.00 0.00 0.00 0.00 77 T 8.61 5.02 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 1.19 0.00 0.00 78 F 9.62 5.63 0.00 2.96 2.84 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 79 I 9.13 4.76 1.95 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 0.81 0.96 0.00 0.00 80 V 9.01 4.71 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 1.04 0.00 0.00 0.94 0.00 0.00 81 K 9.00 4.84 0.00 1.74 1.68 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 82 N 8.09 4.29 0.00 2.82 2.81 0.00 0.00 6.74 7.07 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 83 C 8.33 5.11 0.00 3.06 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 84 Q 9.23 4.93 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 85 V 9.19 4.79 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 0.99 0.00 0.00 0.94 0.00 0.00 86 T 8.69 4.63 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 87 V 8.21 4.35 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 0.83 0.00 0.00 0.94 0.00 0.00 88 E 8.96 4.07 0.00 2.19 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 0.00 2.18 2.28 0.00 *105 V 7.39 3.99 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 0.80 0.00 0.00 0.93 0.00 0.00 106 I 9.48 4.64 1.95 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 0.81 0.92 0.00 0.00 107 S 8.70 4.97 0.00 3.75 3.80 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 0.00 108 V 8.67 4.42 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 1.02 0.00 0.00 0.94 0.00 0.00 109 D 8.96 4.49 0.00 2.77 2.92 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 0.00 0.00 0.00 110 K 7.77 5.08 0.00 1.76 1.68 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.46 7.81 111 L 9.04 4.54 0.00 1.69 1.48 0.96 1.16 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 0.00 112 R 8.73 4.93 0.00 1.89 1.84 0.00 3.24 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 113 I 9.33 4.62 2.19 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 1.20 0.69 1.09 0.00 0.00 114 V 8.61 4.88 2.04 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 0.72 0.00 0.00 0.92 0.00 0.00 115 A 9.29 4.80 1.30 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 0.00 0.00 0.00 116 C 8.25 4.78 0.00 1.88 1.28 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 0.00 117 N 7.77 4.73 0.00 3.02 3.01 0.00 0.00 7.20 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 0.00 118 S 9.08 4.46 0.00 4.10 4.06 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 0.00 119 K 7.76 4.64 0.00 1.90 1.87 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.45 7.81 120 K 8.46 4.13 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.