NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3342 8.4401 120.2335 56.2915 30.8363 174.5662 8 A 4.7267 8.4080 125.4307 49.5109 21.5061 174.7692 9 S 4.4492 9.4214 117.7095 58.7223 64.4161 172.4347 10 R 4.7451 9.0027 121.4617 54.4433 33.9091 174.3814 11 V 4.6195 8.5407 123.0011 61.3989 33.3601 175.1831 12 L 4.7665 9.2887 128.9557 52.8670 43.0014 175.7517 13 R 4.5452 8.4044 122.8355 55.8932 31.6488 174.8321 14 E 4.4640 8.7558 124.0381 54.1181 31.6245 175.5276 15 R 4.2442 8.2703 122.4903 55.6200 32.3440 174.9873 16 D 4.2365 9.2918 122.5933 55.6899 38.4505 172.8612 17 Y 3.1689 8.1901 109.7334 59.0926 36.2892 170.6499 18 R 4.7334 7.3888 118.1904 54.2198 32.9084 174.8603 19 W 4.8484 9.0398 123.2656 54.7641 30.3694 175.5251 20 E 4.0512 9.1260 125.3061 58.1155 29.2647 177.0790 21 G 4.0245 9.2817 114.4494 45.3176 0.0000 172.6942 22 T 4.6399 7.4066 108.6076 59.5755 71.1464 173.2789 23 E 4.4939 8.4611 123.2679 54.6785 31.3061 175.4142 24 E 4.4510 8.6468 125.0020 55.0468 29.6291 175.2086 25 E 4.6186 8.4079 121.9220 54.1993 31.8989 177.3343 26 A 4.1527 8.1689 125.2783 51.9728 15.7158 176.4731 *38 R 4.6351 7.0413 121.5286 53.6543 32.1159 174.0081 39 R 4.5470 7.8411 119.5269 54.4113 33.0781 175.3036 40 Q 4.4269 8.7940 124.9328 54.2734 31.8184 174.9909 41 T 4.3174 8.3830 122.1493 63.3476 68.4212 175.0605 42 L 4.2109 8.8786 127.8423 57.0496 42.4262 177.9267 43 V 4.4727 8.4776 117.6080 60.0396 35.1737 175.4948 44 G 3.9042 8.6038 114.1895 44.5779 0.0000 172.7131 45 R 3.9328 8.3830 118.1894 59.0917 29.9461 177.5780 46 P 4.2173 0.0000 0.0000 64.7882 31.3617 176.9207 47 A 4.3779 7.7405 118.4967 51.7536 19.3589 177.1983 48 G 3.9815 8.0983 104.7539 45.1519 0.0000 173.7325 49 Q 4.4577 8.0440 118.9582 54.1300 29.6856 175.4079 50 E 4.2419 8.6017 122.3970 57.1942 30.5211 177.9926 51 A 4.0765 7.9095 121.4521 54.4677 18.6999 176.5411 52 P 4.1805 0.0000 0.0000 62.6123 31.9739 176.0572 53 A 4.6105 8.5291 121.9805 52.3866 19.4265 176.6349 54 F 5.4407 7.3446 110.1622 55.4540 41.5189 173.4987 55 E 4.8471 9.5528 121.4851 54.8275 32.5085 174.7091 56 T 4.8951 9.1782 122.7184 62.0465 71.5593 173.2710 57 R 5.0340 9.0460 125.0323 54.3411 34.5587 173.8780 58 Y 5.0716 8.8014 122.4930 55.8420 41.6610 174.3387 59 F 4.6822 7.9694 124.6570 55.3007 42.5090 173.7897 60 E 4.8792 9.1101 123.1768 54.2797 32.8859 174.5682 61 V 4.5168 8.8786 126.2172 60.7815 34.7559 174.6366 62 E 4.3956 8.8857 127.1175 55.6384 30.7432 174.8466 63 P 4.3703 0.0000 0.0000 64.4847 31.8269 177.0126 64 G 4.0030 9.3084 111.9842 45.1440 0.0000 173.7586 65 G 4.0693 8.0916 107.7736 46.0790 0.0000 172.1049 66 Y 5.4405 7.4241 116.3297 55.9880 40.6255 174.5427 67 T 4.3887 8.5058 112.3690 60.9997 70.8334 174.0912 68 T 4.2087 8.2272 118.4708 62.8293 69.1238 174.5443 69 L 4.4906 8.4884 129.0705 55.2996 42.7553 175.5012 70 E 5.3188 8.7894 122.8586 55.9978 33.5840 173.8940 71 R 4.8503 8.7796 115.9896 55.2183 33.4327 173.3291 72 H 4.6816 7.7493 113.0879 55.1009 31.0794 174.6120 73 E 3.4961 10.0745 121.2909 59.1817 29.6941 176.8405 74 H 4.6228 8.3776 113.7773 55.8390 29.1941 175.6933 75 T 4.4636 8.3894 110.9089 61.3787 70.9005 173.2027 76 H 5.1862 8.7087 118.2883 53.9419 32.7378 173.2497 77 V 4.9250 8.7246 121.9158 61.3153 33.9709 174.2137 78 V 5.0913 8.8644 128.3876 61.3100 34.4771 173.8671 79 M 5.2649 8.9444 126.6481 53.5883 35.3068 174.5004 80 V 4.4111 8.7982 127.2621 63.3385 32.3046 176.4658 81 V 4.6311 9.1301 120.1459 61.2591 33.8544 175.8262 82 R 4.4801 7.9313 120.8898 56.0217 33.4752 175.9995 83 G 3.7606 8.8788 114.0785 45.3903 0.0000 171.6616 84 H 5.2403 8.6713 114.9008 54.0013 32.5133 172.9360 85 A 5.3551 9.1036 122.8502 50.2199 23.1790 174.5842 86 E 5.1138 9.0071 118.5424 54.4640 33.1013 175.3983 87 V 4.6940 8.8381 124.8726 59.8785 34.0999 175.1284 88 V 4.2838 8.7793 126.1730 62.4887 32.8222 174.6716 89 L 4.9653 9.2582 128.3853 54.0269 44.2214 179.5186 90 D 4.3797 9.2337 127.2751 55.7069 40.8494 174.7863 91 D 4.8559 9.3210 121.7634 53.7802 40.2803 176.3182 92 R 4.7216 8.0380 118.4537 54.7372 34.1881 174.3398 93 V 4.7421 8.4403 122.1828 61.1948 33.7687 174.3460 94 E 4.8135 9.1730 128.1641 53.6618 32.2311 173.7406 95 P 4.9389 0.0000 0.0000 62.8043 32.3873 175.7380 96 L 5.2544 9.4087 122.3878 53.3853 46.2004 175.4365 97 T 5.0999 8.8717 110.6054 59.1901 72.9245 171.2473 98 P 4.8037 0.0000 0.0000 62.0394 31.9475 177.2891 99 L 5.5807 8.1379 123.6686 53.1916 42.1172 176.9344 100 D 4.7711 8.4779 119.6315 54.9375 42.5864 176.7466 101 C 5.4661 9.5484 122.8904 57.6812 34.6821 172.5968 102 V 4.8300 8.8427 125.0166 61.3060 34.5328 173.3886 103 Y 4.9752 9.1665 130.1674 56.7059 40.2359 174.2795 104 I 4.2325 8.5548 129.3480 59.5093 38.4197 175.7737 105 A 3.8123 8.1075 129.6374 50.3764 19.8501 174.8696 106 P 4.1341 0.0000 0.0000 63.7067 31.7307 176.9055 107 H 3.8149 8.7070 118.1187 55.9896 27.0371 174.6989 108 A 4.2322 7.2880 122.4361 51.1485 18.9873 178.2005 109 W 4.6894 8.9220 123.4022 57.3147 30.4560 175.1349 110 H 5.9806 9.1878 118.6492 54.2073 32.1032 172.1231 111 Q 4.7661 8.4682 119.0410 55.3267 32.6264 172.5164 112 I 4.8229 8.8393 127.5311 59.8554 40.0166 174.1828 113 H 5.3504 9.0476 123.2249 53.8472 32.1612 173.0938 114 A 4.9134 9.1567 125.7705 51.7992 19.0059 177.4956 115 T 4.4695 8.6315 111.8087 61.9847 69.7329 175.2736 116 G 3.8121 8.0975 111.0272 45.1527 0.0000 174.2450 117 A 4.1524 8.5282 122.2006 54.7614 18.5683 178.7011 118 N 4.8800 7.9119 108.8760 53.2812 41.3098 174.6326 119 E 4.2696 8.1425 119.0192 54.6013 30.3138 174.2113 120 P 4.5992 0.0000 0.0000 62.4998 32.5223 175.7447 121 L 4.4818 8.9516 125.6306 55.0425 43.3652 175.8679 122 G 4.6948 9.7038 113.3528 43.3293 0.0000 171.5015 123 F 5.6248 8.2228 118.2357 54.9394 41.9713 173.5038 124 L 4.8057 9.3943 124.3589 55.3813 43.6338 175.1031 125 C 5.5203 9.7247 125.7326 57.9165 34.9035 172.3221 126 I 5.2551 9.2183 127.6465 59.8420 39.4245 175.3148 127 V 4.8984 8.6475 118.8316 59.2100 36.4372 174.6865 128 D 4.8793 8.7645 121.8926 54.9758 40.7659 177.1109 129 S 4.2431 9.1524 119.4800 61.1686 63.5999 174.4764 130 D 4.7858 8.0262 119.9696 52.5952 41.3066 175.7734 131 R 4.6076 8.0182 119.7494 54.3970 32.3060 174.4718 132 D 4.7051 8.3732 119.4132 52.4729 40.9585 175.7909 133 R 4.3814 8.1083 117.9316 54.7726 31.0539 175.1033 134 P 4.7406 0.0000 0.0000 62.8288 32.4194 175.4001 135 Q 4.7286 9.4463 124.1445 54.4626 31.6265 174.8786 136 R 4.9118 8.7066 125.1444 54.5658 31.5986 174.6776 137 P 4.4849 0.0000 0.0000 62.6954 32.2938 176.4363 138 D 4.8589 8.6945 120.7693 52.0600 43.0479 176.7353 139 A 3.9336 8.3415 119.5883 55.8729 18.2951 179.6225 140 D 4.2735 8.0792 116.8688 57.3272 41.0362 178.4015 141 D 4.3308 8.6128 119.7165 57.3875 40.8396 179.0134 142 L 3.6688 8.0794 119.3655 57.6026 41.4150 179.3564 143 A 3.9388 7.9057 119.6213 55.2261 18.4848 179.5591 144 R 4.0057 8.0475 116.7636 59.6527 30.2726 179.2096 145 M 4.0960 7.8980 116.2652 57.7997 31.1539 177.3186 146 C 4.4516 7.7879 115.4277 60.0884 28.5730 174.8856 147 A 4.1299 7.5899 123.4313 53.1447 18.3447 177.0213 148 D 4.6474 7.2826 117.3356 52.3852 42.4795 175.5099 149 P 4.2694 0.0000 0.0000 65.8632 31.2450 178.5478 150 A 3.9644 7.9874 120.1802 54.8206 18.3231 179.6548 151 V 3.4511 7.9361 116.2051 66.0961 31.4300 178.0614 152 A 3.8864 7.7557 119.2796 55.2626 18.2303 179.2990 153 R 3.9706 7.7532 116.0687 58.9191 30.1946 178.0330 154 R 4.0465 7.4775 117.8287 57.2451 30.9090 177.0190 155 I 3.9230 7.1845 111.2006 60.9605 37.9959 175.5189 156 R 4.4857 8.5664 121.5552 54.6612 32.4350 174.7110 157 T 4.7707 8.1662 113.1166 59.2808 71.7576 173.6025 158 E 4.1323 8.8246 118.3550 58.6127 29.8518 177.7680 159 G 3.7948 8.0028 106.1658 45.6721 0.0000 172.6144 160 H 4.5895 8.1979 120.5025 54.4668 31.3172 171.7133 161 H 5.1428 7.9704 122.8496 53.3250 31.4538 172.5537 162 H 4.0513 8.3250 114.2458 57.4431 28.5598 174.7591 163 H 4.3866 8.7216 115.4109 56.2213 29.1842 174.5622 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 7 E 8.44 4.33 0.00 2.04 2.15 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 2.26 2.33 0.00 8 A 8.41 4.73 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 9 S 9.42 4.45 0.00 3.74 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 10 R 9.00 4.75 0.00 1.90 1.86 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 11 V 8.54 4.62 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 0.83 0.00 0.00 0.95 0.00 0.00 12 L 9.29 4.77 0.00 1.83 1.82 1.04 0.85 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 13 R 8.40 4.55 0.00 1.74 1.78 0.00 3.08 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 14 E 8.76 4.46 0.00 1.16 1.22 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 1.47 1.47 0.00 15 R 8.27 4.24 0.00 1.82 1.81 0.00 2.89 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 16 D 9.29 4.24 0.00 2.77 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 17 Y 8.19 3.17 0.00 3.13 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 18 R 7.39 4.73 0.00 1.91 1.84 0.00 3.47 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 19 W 9.04 4.85 0.00 3.43 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 20 E 9.13 4.05 0.00 1.91 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 2.35 2.35 0.00 21 G 9.28 4.02 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 0.00 0.00 0.00 22 T 7.41 4.64 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 1.31 0.00 0.00 23 E 8.46 4.49 0.00 1.95 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 2.23 2.32 0.00 24 E 8.65 4.45 0.00 2.02 1.94 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 2.33 2.35 0.00 25 E 8.41 4.62 0.00 2.05 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 2.18 2.27 0.00 26 A 8.17 4.15 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 *38 R 7.04 4.64 0.00 2.00 1.84 0.00 3.42 0.00 0.00 3.47 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 39 R 7.84 4.55 0.00 1.71 1.67 0.00 3.11 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.00 40 Q 8.79 4.43 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 41 T 8.38 4.32 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 1.18 0.00 0.00 42 L 8.88 4.21 0.00 1.62 1.71 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.48 4.47 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 44 G 8.60 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 45 R 8.38 3.93 0.00 1.85 1.99 0.00 3.11 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 46 P 0.00 4.22 0.00 2.01 2.10 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 47 A 7.74 4.38 1.29 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 0.00 0.00 48 G 8.10 3.98 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 0.00 0.00 0.00 49 Q 8.04 4.46 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 50 E 8.60 4.24 0.00 1.92 1.96 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 2.23 2.21 0.00 51 A 7.91 4.08 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 52 P 0.00 4.18 0.00 1.54 0.83 0.00 3.49 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 53 A 8.53 4.61 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 54 F 7.34 5.44 0.00 3.11 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 55 E 9.55 4.85 0.00 2.01 1.86 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 2.22 2.24 0.00 56 T 9.18 4.90 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 1.32 0.00 0.00 57 R 9.05 5.03 0.00 1.87 1.29 0.00 3.39 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 58 Y 8.80 5.07 0.00 2.91 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 4.68 0.00 1.51 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 60 E 9.11 4.88 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 2.23 2.45 0.00 61 V 8.88 4.52 2.19 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 1.01 0.00 0.00 1.08 0.00 0.00 62 E 8.89 4.40 0.00 1.93 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 2.41 2.30 0.00 63 P 0.00 4.37 0.00 2.06 2.28 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 64 G 9.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 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 0.00 0.00 0.00 0.00 66 Y 7.42 5.44 0.00 2.69 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 67 T 8.51 4.39 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 68 T 8.23 4.21 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 1.26 0.00 0.00 69 L 8.49 4.49 0.00 1.58 1.54 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.79 5.32 0.00 2.12 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 2.32 2.02 0.00 71 R 8.78 4.85 0.00 1.28 1.07 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.12 0.00 72 H 7.75 4.68 0.00 3.45 3.53 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 10.07 3.50 0.00 2.03 1.96 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 2.21 2.18 0.00 74 H 8.38 4.62 0.00 3.15 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.39 4.46 4.35 0.00 0.00 0.00 0.00 0.00 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 76 H 8.71 5.19 0.00 2.98 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.72 4.92 2.14 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 0.94 0.00 0.00 1.07 0.00 0.00 78 V 8.86 5.09 2.07 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 0.92 0.00 0.00 0.92 0.00 0.00 79 M 8.94 5.26 0.00 2.25 1.97 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.63 0.00 80 V 8.80 4.41 2.15 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 1.01 0.00 0.00 0.95 0.00 0.00 81 V 9.13 4.63 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 0.88 0.00 0.00 1.26 0.00 0.00 82 R 7.93 4.48 0.00 2.00 1.98 0.00 3.41 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 83 G 8.88 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 0.00 0.00 0.00 84 H 8.67 5.24 0.00 3.14 3.19 0.00 5.56 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 85 A 9.10 5.36 1.16 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 86 E 9.01 5.11 0.00 1.90 1.81 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 2.20 2.22 0.00 87 V 8.84 4.69 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 0.89 0.00 0.00 0.93 0.00 0.00 88 V 8.78 4.28 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 0.92 0.00 0.00 0.92 0.00 0.00 89 L 9.26 4.97 0.00 1.54 1.56 0.91 1.01 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 90 D 9.23 4.38 0.00 2.81 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 0.00 0.00 0.00 0.00 91 D 9.32 4.86 0.00 2.78 2.77 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 0.00 0.00 0.00 92 R 8.04 4.72 0.00 1.90 1.81 0.00 3.08 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 93 V 8.44 4.74 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 0.78 0.00 0.00 0.94 0.00 0.00 94 E 9.17 4.81 0.00 1.84 1.81 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 2.20 2.36 0.00 95 P 0.00 4.94 0.00 2.08 2.05 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 96 L 9.41 5.25 0.00 1.51 1.53 0.86 0.75 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 97 T 8.87 5.10 4.11 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 1.06 0.00 0.00 98 P 0.00 4.80 0.00 1.95 2.15 0.00 3.57 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 2.04 2.18 0.00 99 L 8.14 5.58 0.00 1.67 1.96 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.48 4.77 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.55 5.47 0.00 3.11 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 0.00 102 V 8.84 4.83 2.07 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 0.98 0.00 0.00 0.94 0.00 0.00 103 Y 9.17 4.98 0.00 3.04 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 0.00 104 I 8.55 4.23 1.69 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.71 0.66 0.00 0.00 105 A 8.11 3.81 1.13 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 0.00 106 P 0.00 4.13 0.00 1.98 2.01 0.00 3.83 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 107 H 8.71 3.81 0.00 3.16 3.17 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.29 4.23 1.22 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 0.00 0.00 0.00 109 W 8.92 4.69 0.00 3.31 3.01 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 0.00 110 H 9.19 5.98 0.00 3.10 3.29 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.47 4.77 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.12 2.51 0.00 112 I 8.84 4.82 1.64 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 0.55 0.00 0.00 113 H 9.05 5.35 0.00 3.15 3.21 0.00 5.61 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 0.00 114 A 9.16 4.91 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 0.00 115 T 8.63 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 1.30 0.00 0.00 116 G 8.10 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 0.00 117 A 8.53 4.15 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 0.00 118 N 7.91 4.88 0.00 2.67 2.83 0.00 0.00 6.84 7.66 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 0.00 119 E 8.14 4.27 0.00 1.95 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 2.34 2.45 0.00 120 P 0.00 4.60 0.00 2.05 2.02 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 121 L 8.95 4.48 0.00 2.01 1.78 1.08 0.97 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 0.00 122 G 9.70 4.69 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 0.00 123 F 8.22 5.62 0.00 3.28 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 0.00 124 L 9.39 4.81 0.00 1.96 1.74 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 125 C 9.72 5.52 0.00 3.45 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 0.00 126 I 9.22 5.26 1.93 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 1.33 0.70 1.00 0.00 0.00 127 V 8.65 4.90 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 1.01 0.00 0.00 128 D 8.76 4.88 0.00 2.63 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 0.00 129 S 9.15 4.24 0.00 3.70 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 0.00 130 D 8.03 4.79 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.61 0.00 1.47 1.69 0.00 2.53 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 132 D 8.37 4.71 0.00 2.84 2.76 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 0.00 133 R 8.11 4.38 0.00 1.85 1.93 0.00 3.39 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 134 P 0.00 4.74 0.00 2.00 2.24 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 135 Q 9.45 4.73 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 136 R 8.71 4.91 0.00 1.79 1.88 0.00 3.48 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 137 P 0.00 4.48 0.00 1.70 0.76 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 138 D 8.69 4.86 0.00 2.96 2.89 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 0.00 139 A 8.34 3.93 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 0.00 140 D 8.08 4.27 0.00 2.82 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 0.00 141 D 8.61 4.33 0.00 2.73 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 0.00 0.00 0.00 0.00 142 L 8.08 3.67 0.00 1.70 1.57 0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.91 3.94 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 0.00 144 R 8.05 4.01 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 145 M 7.90 4.10 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 146 C 7.79 4.45 0.00 2.97 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 0.00 147 A 7.59 4.13 1.29 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 0.00 0.00 148 D 7.28 4.65 0.00 2.80 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 0.00 149 P 0.00 4.27 0.00 2.29 2.27 0.00 3.73 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 2.06 2.02 0.00 150 A 7.99 3.96 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 0.00 151 V 7.94 3.45 2.13 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 1.05 0.00 0.00 1.02 0.00 0.00 152 A 7.76 3.89 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 0.00 153 R 7.75 3.97 0.00 2.05 1.94 0.00 3.30 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 154 R 7.48 4.05 0.00 1.67 1.82 0.00 2.77 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 155 I 7.18 3.92 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.42 0.79 0.00 0.00 156 R 8.57 4.49 0.00 0.67 1.05 0.00 3.09 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.00 157 T 8.17 4.77 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 1.11 0.00 0.00 158 E 8.82 4.13 0.00 2.13 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 2.29 2.32 0.00 159 G 8.00 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 0.00 160 H 8.20 4.59 0.00 3.14 3.06 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 H 7.97 5.14 0.00 3.04 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 H 8.33 4.05 0.00 3.22 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.72 4.39 0.00 3.43 3.41 0.00 5.56 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 * Residues marked with a * may have inaccurate shift predictions.