NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5165 8.3293 118.3606 59.1403 28.7906 173.3086 11 P 4.4196 0.0000 0.0000 63.4201 32.6504 174.1964 12 L 4.9457 8.2667 123.4762 53.9002 45.1118 176.1233 13 M 5.0797 9.2748 125.4276 53.5068 36.6294 174.5049 14 V 4.9113 8.5168 120.6818 61.0438 35.1313 174.2561 15 K 5.0269 9.0960 127.8339 54.6659 35.8683 174.8426 16 V 4.8144 9.0865 126.5559 61.0836 34.6678 174.0898 17 L 5.1281 8.7917 126.8124 52.9175 45.8220 174.9910 18 D 5.1380 9.1198 122.1891 52.7211 42.1198 176.7753 19 A 4.2133 9.2036 129.1510 54.4800 18.5608 179.0387 20 V 3.7906 8.5735 114.8282 65.8696 31.8592 177.2245 21 R 4.2603 8.6928 116.1890 55.8070 30.9425 176.1455 22 G 3.8110 8.5002 105.6503 45.9144 0.0000 172.6731 23 S 4.8684 7.4247 111.7456 55.5128 67.3667 172.7442 24 P 4.5504 0.0000 0.0000 63.1426 31.5657 175.8983 25 A 4.3148 8.7381 124.5891 51.0465 19.4986 176.3526 26 I 4.2084 8.3417 122.5065 61.2384 39.0506 175.4453 27 N 4.1767 8.4180 122.1371 54.6413 37.8874 173.8378 28 V 4.1147 7.8107 116.7729 61.2925 32.9815 174.8950 29 A 4.5913 8.5670 129.9195 51.9048 20.0371 176.1054 30 V 4.7718 8.8092 121.3671 61.4046 35.0845 173.8670 31 H 5.1499 9.3651 124.8955 53.8597 32.0394 172.8235 32 V 4.8155 8.9376 123.4120 61.1208 34.0930 174.3444 33 F 5.5608 9.3960 125.5212 55.7331 43.1686 173.8338 34 R 4.7501 8.8198 121.5298 54.0431 32.9889 174.7639 35 K 4.1244 8.7296 127.4639 56.3217 32.7007 176.3515 36 A 4.5828 8.8832 129.1656 50.4089 20.6771 178.0332 37 A 3.9184 8.6653 121.8630 54.1758 18.0500 178.1344 38 D 4.6907 7.9000 115.1344 52.5705 39.7556 176.0951 39 D 4.2597 8.0429 116.9564 56.1173 40.3534 173.0366 40 T 4.5048 6.9640 105.9340 58.9387 72.2839 172.6664 41 W 5.0683 8.4835 122.8996 55.9550 30.3874 175.4729 42 E 4.9312 9.0953 122.9504 53.6305 31.6357 173.6969 43 P 4.5520 0.0000 0.0000 63.8020 31.5944 175.2796 44 F 4.7618 8.7101 122.9299 59.4815 41.9993 174.6497 45 A 4.4704 7.7402 116.4349 51.5629 22.0887 175.0893 46 S 4.6713 7.7687 113.3297 57.5459 66.2082 173.3741 47 G 3.9362 7.6606 106.0896 46.3639 0.0000 171.8390 48 K 5.2560 8.4404 118.3918 54.1822 35.3420 177.0029 49 T 4.2069 8.6313 114.8238 61.8560 70.1758 174.6893 50 S 4.6516 8.7970 119.0998 57.3101 64.5489 174.6363 51 E 3.9159 8.6889 119.2001 59.2038 29.0478 178.2947 52 S 4.3984 8.0038 111.3815 57.6983 63.6732 174.7911 53 G 3.8494 8.4840 109.9378 45.5278 0.0000 172.7128 54 E 5.0879 7.7345 118.0061 54.0464 33.2705 174.8496 55 L 4.7964 8.8854 124.2028 53.8886 44.9180 175.1144 56 H 4.9515 8.6278 122.4539 54.2096 32.3671 174.0250 57 G 3.8787 8.7326 104.4763 46.6691 0.0000 175.1777 58 L 4.0260 8.0145 121.3276 57.2219 41.7631 177.1534 59 T 4.5834 7.3344 109.5749 60.6566 70.7642 172.3263 60 T 4.5670 8.0189 114.4412 59.5976 71.0316 175.3584 61 E 4.0833 8.6970 122.7401 59.2418 30.0445 177.4115 62 E 4.1202 8.5058 118.7148 59.3001 29.5218 177.4911 63 E 4.2473 7.8622 116.6773 57.8770 30.4121 176.7363 64 F 4.9597 7.6779 122.8236 57.0696 37.6752 174.8356 65 V 4.0100 7.3371 116.6964 59.9319 33.1231 176.1360 66 E 4.4469 8.0289 120.3845 55.8208 29.9709 177.2989 67 G 3.7805 7.8772 109.4547 46.6563 0.0000 170.5135 68 I 4.8399 7.1719 120.0511 59.7565 39.1738 174.9763 69 Y 5.1044 8.8711 124.4666 55.8568 41.8251 174.4985 70 K 4.7551 9.0617 123.2107 54.5540 35.4486 174.7816 71 V 4.7649 9.1811 127.8667 61.2585 33.7386 173.5919 72 E 4.9770 9.5362 130.0085 54.4921 31.9507 174.3502 73 I 4.6281 8.8544 128.1735 59.4370 39.9612 175.4727 74 D 4.9299 8.8995 129.0909 53.5897 38.0729 176.4912 75 T 3.9211 7.8249 114.8256 63.9222 69.3365 176.5885 76 K 4.1164 8.1419 122.0912 59.7098 32.4778 178.7444 77 S 4.1398 8.4697 115.3758 61.5853 62.4510 175.9437 78 Y 3.9295 7.3183 120.6869 60.7219 38.7878 178.2157 79 W 4.3672 8.0217 119.5818 59.6923 29.1999 178.8199 80 K 4.1817 8.5099 118.4250 59.3673 31.2458 179.1675 81 A 4.0680 7.7699 119.7246 54.1464 18.3544 178.5682 82 L 4.3684 7.5410 115.6306 54.2549 42.0662 177.1920 83 G 3.8995 8.0915 107.1266 46.0023 0.0000 173.2318 84 I 4.3783 7.7306 119.2864 59.0056 39.4700 175.4283 85 S 4.3918 8.6727 120.6647 56.5999 61.5816 171.7100 86 P 4.3538 0.0000 0.0000 61.3560 32.9204 176.2402 87 F 3.9090 8.3119 120.9163 61.0527 39.3452 175.6702 88 H 4.5294 7.8352 115.7168 54.9273 29.5919 175.4515 89 E 4.0319 8.6548 122.3704 59.6534 29.5456 176.1274 90 H 4.7012 7.4829 110.8120 55.8432 31.3291 172.9692 91 A 4.5049 8.5133 120.1193 49.9746 21.2004 175.2360 92 E 5.0656 8.8769 121.4408 54.3851 32.8538 175.5859 93 V 4.5010 9.1216 124.0049 61.1001 34.3094 174.1830 94 V 5.1369 8.6151 127.7235 61.1329 33.9048 174.3620 95 F 5.1408 8.8564 121.3610 56.1203 41.6019 173.1550 96 T 4.8160 8.7483 117.1401 63.0061 69.9030 174.0805 97 A 4.5950 8.9801 128.6927 50.8701 20.0082 177.1272 98 N 4.7584 8.5361 119.0490 54.4938 39.5526 176.8961 99 D 4.2768 7.9010 114.1791 54.3677 36.9916 172.9671 100 S 4.2780 8.0768 112.0486 58.4786 64.1106 175.0353 101 G 3.4819 8.5529 116.7338 45.5713 0.0000 170.6179 *104 R 4.2533 7.4977 119.5089 56.6076 32.5501 174.2552 105 Y 5.0358 9.0285 121.3432 56.4593 40.9585 174.6682 106 T 4.9189 9.0153 121.4630 61.8220 71.5216 173.1656 107 I 4.7021 8.8310 128.0976 59.6857 39.2052 174.5300 108 A 5.2710 8.8682 129.1766 50.0242 21.9909 174.9599 109 A 5.2372 8.9265 122.1914 49.9907 22.9251 174.6940 110 L 5.1143 9.1177 124.0155 53.2509 44.8004 175.0442 111 L 5.3776 9.0378 126.2586 53.3753 44.8621 175.7570 112 S 5.0850 9.5148 117.8694 56.1903 67.5216 173.4080 113 P 3.1749 0.0000 0.0000 65.1224 31.0642 177.8661 114 Y 4.6069 7.6876 112.2947 57.2754 38.5354 175.2083 115 S 4.7492 8.0050 114.4789 57.9409 67.2959 173.2228 116 Y 5.4919 7.7715 120.1362 55.9123 41.0455 173.7780 117 S 4.9122 9.3140 114.5988 56.9663 66.1366 172.5670 118 T 5.2310 8.4367 118.0527 60.9303 70.5678 172.5232 119 T 4.8371 8.9251 120.4881 60.3800 71.6799 171.9129 120 A 5.0700 8.5580 126.8204 50.0245 21.5862 175.7810 121 V 4.1670 8.7907 123.0993 61.0698 33.8545 174.5985 122 V 4.6435 8.3459 128.4302 61.1621 33.4255 175.2412 123 T 4.2280 8.3296 117.8832 61.8089 68.3829 173.8310 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 C 8.33 4.52 0.00 2.92 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 11 P 0.00 4.42 0.00 2.27 2.44 0.00 3.68 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 1.94 2.10 0.00 12 L 8.27 4.95 0.00 0.62 1.03 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.27 5.08 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 14 V 8.52 4.91 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 1.04 0.00 0.00 0.91 0.00 0.00 15 K 9.10 5.03 0.00 1.79 1.54 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.47 7.81 16 V 9.09 4.81 1.90 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 0.76 0.00 0.00 0.82 0.00 0.00 17 L 8.79 5.13 0.00 1.61 1.51 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.12 5.14 0.00 2.64 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 19 A 9.20 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.57 3.79 2.56 0.00 0.00 0.00 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 1.04 0.00 0.00 21 R 8.69 4.26 0.00 1.93 2.03 0.00 3.37 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 22 G 8.50 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 23 S 7.42 4.87 0.00 3.87 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 24 P 0.00 4.55 0.00 2.11 2.17 0.00 3.76 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 1.98 1.97 0.00 25 A 8.74 4.31 0.57 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 0.00 0.00 26 I 8.34 4.21 1.90 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 1.47 0.79 0.90 0.00 0.00 27 N 8.42 4.18 0.00 2.85 2.90 0.00 0.00 7.08 7.85 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 28 V 7.81 4.11 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 0.79 0.00 0.00 0.60 0.00 0.00 29 A 8.57 4.59 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 30 V 8.81 4.77 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 0.93 0.00 0.00 0.87 0.00 0.00 31 H 9.37 5.15 0.00 3.03 2.71 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.94 4.82 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 1.15 0.00 0.00 0.95 0.00 0.00 33 F 9.40 5.56 0.00 2.79 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 34 R 8.82 4.75 0.00 1.33 1.63 0.00 2.69 0.00 0.00 2.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 35 K 8.73 4.12 0.00 1.58 1.34 0.00 1.24 0.00 0.00 1.34 0.00 0.00 2.59 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.59 0.21 7.81 36 A 8.88 4.58 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 37 A 8.67 3.92 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 38 D 7.90 4.69 0.00 2.80 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 39 D 8.04 4.26 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.96 4.50 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 1.22 0.00 0.00 41 W 8.48 5.07 0.00 2.98 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 42 E 9.10 4.93 0.00 2.15 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 0.00 2.25 2.53 0.00 43 P 0.00 4.55 0.00 2.04 2.10 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 44 F 8.71 4.76 0.00 3.07 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 45 A 7.74 4.47 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 0.00 0.00 0.00 0.00 0.00 46 S 7.77 4.67 0.00 3.61 3.57 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 47 G 7.66 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 5.26 0.00 1.56 1.64 0.00 1.74 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 T 8.63 4.21 4.05 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 0.00 0.00 1.16 0.00 0.00 50 S 8.80 4.65 0.00 3.95 4.05 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 0.00 0.00 0.00 51 E 8.69 3.92 0.00 1.96 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 2.31 2.30 0.00 52 S 8.00 4.40 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 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 54 E 7.73 5.09 0.00 1.78 1.72 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 2.28 2.42 0.00 55 L 8.89 4.80 0.00 1.62 1.42 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.63 4.95 0.00 3.00 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.73 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.01 4.03 0.00 1.57 1.71 0.88 0.75 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 59 T 7.33 4.58 4.34 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 0.98 0.00 0.00 60 T 8.02 4.57 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 1.21 0.00 0.00 61 E 8.70 4.08 0.00 2.01 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 0.00 2.36 2.43 0.00 62 E 8.51 4.12 0.00 1.98 2.03 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 2.33 2.43 0.00 63 E 7.86 4.25 0.00 2.04 2.10 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 2.59 2.33 0.00 64 F 7.68 4.96 0.00 3.11 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 65 V 7.34 4.01 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 0.96 0.00 0.00 66 E 8.03 4.45 0.00 1.81 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 2.43 2.15 0.00 67 G 7.88 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 68 I 7.17 4.84 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 1.04 0.00 0.00 69 Y 8.87 5.10 0.00 1.74 2.47 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 70 K 9.06 4.76 0.00 0.79 0.77 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.08 1.01 7.81 71 V 9.18 4.76 2.22 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 0.91 0.00 0.00 1.17 0.00 0.00 72 E 9.54 4.98 0.00 2.06 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 2.13 2.08 0.00 73 I 8.85 4.63 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.79 0.00 0.00 74 D 8.90 4.93 0.00 2.80 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 75 T 7.82 3.92 4.48 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 1.16 0.00 0.00 76 K 8.14 4.12 0.00 2.17 1.90 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.59 7.81 77 S 8.47 4.14 0.00 3.99 3.92 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 78 Y 7.32 3.93 0.00 2.83 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 79 W 8.02 4.37 0.00 3.54 3.32 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 80 K 8.51 4.18 0.00 1.89 1.89 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.66 7.81 81 A 7.77 4.07 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 0.00 0.00 82 L 7.54 4.37 0.00 1.83 1.72 0.30 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.09 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 84 I 7.73 4.38 2.28 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.82 0.00 0.00 85 S 8.67 4.39 0.00 3.86 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 86 P 0.00 4.35 0.00 2.24 2.03 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 87 F 8.31 3.91 0.00 1.81 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 88 H 7.84 4.53 0.00 3.31 3.48 0.00 5.95 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 89 E 8.65 4.03 0.00 1.76 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 2.18 2.15 0.00 90 H 7.48 4.70 0.00 3.23 3.25 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.51 4.50 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 5.07 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 2.19 2.40 0.00 93 V 9.12 4.50 2.22 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 0.92 0.00 0.00 0.98 0.00 0.00 94 V 8.62 5.14 2.21 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 1.18 0.00 0.00 0.91 0.00 0.00 95 F 8.86 5.14 0.00 3.20 3.15 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 96 T 8.75 4.82 4.34 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 1.29 0.00 0.00 97 A 8.98 4.60 0.84 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 0.00 0.00 98 N 8.54 4.76 0.00 2.77 2.89 0.00 0.00 7.27 7.95 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 99 D 7.90 4.28 0.00 2.75 3.08 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 0.00 100 S 8.08 4.28 0.00 3.93 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 0.00 101 G 8.55 3.48 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 0.00 *104 R 7.50 4.25 0.00 1.90 1.91 0.00 3.07 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 105 Y 9.03 5.04 0.00 2.93 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 0.00 106 T 9.02 4.92 4.20 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 1.19 0.00 0.00 107 I 8.83 4.70 1.84 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.91 0.89 0.00 0.00 108 A 8.87 5.27 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 0.00 109 A 8.93 5.24 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 0.00 110 L 9.12 5.11 0.00 1.78 1.58 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.04 5.38 0.00 1.86 2.04 0.61 0.93 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 0.00 112 S 9.51 5.08 0.00 3.85 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 0.00 113 P 0.00 3.17 0.00 2.06 1.62 0.00 3.22 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.65 0.00 114 Y 7.69 4.61 0.00 2.76 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 0.00 115 S 8.01 4.75 0.00 3.90 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 Y 7.77 5.49 0.00 3.07 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 0.00 117 S 9.31 4.91 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.44 5.23 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 1.33 0.00 0.00 119 T 8.93 4.84 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 0.00 120 A 8.56 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.79 4.17 2.03 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 0.93 0.00 0.00 0.90 0.00 0.00 122 V 8.35 4.64 1.85 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 0.17 0.00 0.00 0.64 0.00 0.00 123 T 8.33 4.23 4.20 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.