NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5075 8.3349 116.7986 58.4594 64.9330 173.5822 4 T 4.5172 7.0122 112.9949 60.6962 72.3320 171.3129 5 S 4.5903 7.6771 115.7751 58.1889 65.6189 175.8820 6 D 4.5873 8.6668 120.6834 51.9596 40.9583 174.6320 7 L 4.7898 8.1679 123.5081 52.2950 44.4373 176.5087 8 I 3.9295 8.1263 122.2712 60.3645 37.6584 174.5188 9 P 4.2027 0.0000 0.0000 62.8607 31.7259 176.1057 10 A 3.5092 8.3121 124.9318 51.0944 19.0142 175.6712 11 P 4.3414 0.0000 0.0000 61.0819 32.5927 174.3590 12 P 4.3431 0.0000 0.0000 62.1987 32.1643 177.4073 13 L 3.7270 8.5478 121.4223 57.7652 41.7650 179.6521 14 S 4.1298 7.9304 112.0785 60.9974 62.8379 175.1060 15 K 4.0807 7.9807 118.4877 56.3969 31.8241 176.7724 16 V 4.1674 7.4636 120.1505 60.0107 31.7138 173.4005 17 P 4.4043 0.0000 0.0000 62.6294 31.8974 175.0271 18 L 4.8834 7.8755 120.5429 52.9513 44.8374 175.7023 19 Q 4.0885 8.7357 128.1862 56.4290 29.2884 176.1004 20 Q 4.2004 8.8492 125.4215 55.7478 29.9576 175.2646 21 N 4.1682 8.7764 116.0876 53.6544 36.4269 175.0318 22 F 4.1971 8.3801 118.3479 58.9405 39.8773 174.0701 23 Q 4.3348 8.9069 127.9532 53.7695 28.7751 175.9947 24 D 4.9966 8.7601 123.9847 55.7063 40.2722 178.8204 25 N 4.5202 8.2677 117.1828 55.8658 37.4980 177.0312 26 Q 4.0961 7.2865 116.3419 57.6231 28.7864 176.8651 27 F 4.7969 7.8810 117.6815 59.2716 39.8161 175.1859 28 H 4.6841 8.0004 115.2746 56.5455 29.2130 174.8800 29 G 3.4971 9.3571 106.2792 43.7698 0.0000 172.3579 30 K 4.6338 7.7390 119.1968 55.6792 33.4838 177.1930 31 W 5.0222 8.5871 124.4822 55.3139 33.8870 173.5845 32 Y 4.8434 9.1763 121.8495 56.8505 39.8098 175.1238 33 Q 4.7500 9.0758 125.8893 55.5987 27.5727 175.3494 34 V 4.0517 8.4064 119.8412 62.6133 33.4763 176.1076 35 G 3.6138 8.2542 107.3578 44.0612 0.0000 171.9478 36 R 5.2857 8.6085 123.2523 54.6596 33.8463 173.5664 37 A 5.5106 8.9469 127.5442 49.4466 22.4664 174.8143 38 G 4.1202 8.1529 105.6208 45.5345 0.0000 173.8132 39 N 4.2074 7.8602 117.1220 52.9497 37.8231 175.1945 40 A 4.2600 7.0280 122.0035 51.6350 19.0194 176.9342 41 A 4.0280 9.0835 121.8180 54.2080 20.0132 177.7411 42 L 2.6707 8.0896 115.2466 53.6906 42.8739 176.4704 *48 P 4.2052 0.0000 0.0000 62.7883 33.2954 177.0051 49 Q 4.1687 8.3636 119.2991 56.1598 29.6006 175.6501 50 K 4.7286 8.6043 123.5812 55.5996 33.4042 176.5689 51 M 4.3571 8.7942 124.3413 56.2880 32.9323 175.2978 52 T 5.0017 8.6302 113.4234 59.8841 73.0886 172.0635 53 A 5.2958 8.7076 122.6408 50.2826 23.2420 175.2159 54 Q 4.9466 9.3571 117.8132 54.3678 32.8079 174.4988 55 I 4.8424 8.6876 125.8267 60.1392 39.2319 174.2979 56 Y 4.9161 9.3920 125.6085 56.4222 40.2290 174.6418 57 E 5.1184 8.8940 123.3036 54.4249 33.4334 174.6463 58 L 4.5145 8.8448 127.0313 54.2881 42.9032 176.7823 59 K 4.4078 8.8297 126.4228 55.4232 33.1968 177.9903 60 E 3.9489 8.7492 119.7594 59.8593 29.3255 178.3265 61 D 4.5910 8.0886 114.5630 53.0622 39.2254 176.1122 62 K 3.8168 7.9864 116.7622 57.6423 30.4200 175.1331 63 S 4.9728 8.1736 113.4188 57.2145 66.1314 172.3959 64 Y 5.2728 9.1312 118.7477 56.7929 40.3259 174.6562 65 N 4.7717 9.0565 122.1511 52.2486 40.6910 173.2824 66 V 4.1432 8.3663 127.7538 61.2894 33.7022 174.4360 67 T 5.0524 8.4243 124.2346 61.7346 71.2091 173.1320 68 A 4.9602 9.3081 129.4818 50.9831 21.0219 176.4021 69 V 4.6520 8.6273 120.5350 59.9520 34.6559 174.7375 70 R 4.8569 8.4498 120.3838 54.3097 33.5654 174.2858 71 F 5.3376 8.8463 123.0522 57.0637 39.6639 174.5706 72 R 4.2613 8.5148 126.3765 55.2925 32.8205 175.5103 73 K 3.6624 9.1859 123.0553 57.6417 29.5712 175.7626 74 K 3.8662 7.5117 112.7465 56.7523 30.2317 175.9206 75 K 4.8120 7.7804 118.0362 54.6847 35.8278 174.2337 76 C 5.0982 8.7676 117.9777 56.0716 35.5070 172.6852 77 D 4.9526 8.6929 124.6066 52.8532 42.5150 174.6494 78 Y 5.2835 8.7740 122.7104 56.3303 41.2806 175.1259 79 A 4.6640 8.8221 123.4259 50.8957 22.8879 175.0385 80 T 4.9507 8.6790 119.3627 62.1488 70.7860 173.7829 81 M 4.8354 9.1591 125.7680 53.7991 36.2734 174.8558 82 T 5.0299 8.2969 115.5804 62.0555 71.9356 173.2431 83 F 5.5181 9.3410 126.7302 56.5509 40.8732 175.0145 84 V 4.7690 9.6995 125.6248 60.4435 33.3084 173.2528 85 P 4.1176 0.0000 0.0000 63.4556 30.1867 176.4787 86 G 4.1113 8.4277 115.8640 45.7787 0.0000 175.6140 87 S 4.4352 8.7832 115.5049 60.8644 63.7466 174.5987 88 Q 4.5035 7.4640 115.3824 53.4829 31.3441 171.9550 89 P 4.1476 0.0000 0.0000 64.8456 31.8582 176.7817 90 G 2.7319 8.5552 110.6086 44.2383 0.0000 171.8172 91 E 4.9716 7.0612 120.3704 54.3169 32.5857 174.6753 92 F 5.4066 9.6328 124.1139 56.3700 44.1495 173.1372 93 T 5.2647 9.2199 114.2305 58.9991 71.2057 172.3238 94 L 4.8169 8.6298 127.7152 54.5928 42.7338 176.7625 95 G 3.7966 9.4150 114.0914 45.3790 0.0000 172.8180 96 N 4.2477 8.4943 116.9805 54.4960 37.4261 175.2643 97 I 3.8223 7.4238 120.7005 63.9948 38.8823 177.3602 98 K 4.2048 8.1127 118.3919 58.3388 31.9341 177.4565 99 S 4.3142 7.9093 112.3907 58.7426 63.4761 173.7370 100 Y 4.3287 8.0583 120.6811 55.4664 37.6927 173.1067 101 P 4.1844 0.0000 0.0000 64.1919 31.8230 176.8310 102 G 3.8561 9.0703 110.5375 46.0222 0.0000 171.9684 103 L 4.9820 7.8079 121.8596 53.4292 42.8656 175.9894 104 T 4.7088 8.4606 116.4775 61.6503 70.0837 174.6224 105 S 4.7265 7.8419 114.9691 58.0377 66.2495 173.8324 106 Y 4.9780 8.3600 123.2710 56.7132 41.9262 172.7846 107 L 5.0505 9.4588 130.0495 53.1876 45.6140 175.1149 108 V 4.3990 8.6425 124.4046 60.9937 34.9092 174.1523 109 R 4.7120 8.5804 127.5567 54.3004 33.2910 174.1875 110 V 3.6384 8.6682 128.4826 63.1888 31.7545 176.8010 111 V 3.7452 9.1629 129.7498 65.0537 31.8167 176.2529 112 S 4.8255 7.3124 112.5221 57.9784 65.8577 173.3840 113 T 4.9524 8.7341 112.5780 62.5714 70.4059 172.6367 114 N 4.7230 8.5944 123.8839 52.2051 37.9220 175.5072 115 Y 4.3948 8.0958 122.5453 59.2816 37.5855 170.2357 116 N 4.8587 8.1830 112.8203 52.6832 38.1973 174.2943 117 Q 4.7653 8.2036 116.6637 57.6564 34.8521 174.0846 118 H 5.8513 9.2198 112.8187 54.7236 32.7876 171.7851 119 A 4.9953 8.8149 119.0415 51.2316 23.2185 175.2422 120 M 5.1689 9.1558 119.4957 53.5656 35.6039 174.8640 121 V 4.6756 8.7505 123.7941 60.8878 34.9230 173.7430 122 F 5.3626 8.9262 130.0530 56.5972 41.4544 174.1163 123 F 4.9793 8.9243 124.7456 55.3924 42.0141 174.2960 124 K 5.0584 8.3476 123.4747 54.7575 35.9009 174.9535 125 K 4.7694 9.1584 124.6640 55.8809 36.8006 174.7895 126 V 4.8207 9.0032 121.7916 61.3966 33.8351 174.2708 127 S 5.0180 8.8118 123.3578 56.7547 65.1690 174.0326 128 Q 3.2614 10.0854 128.2965 57.3271 26.5307 174.6431 129 N 4.3337 8.4046 111.4917 53.6450 37.1681 174.5932 130 R 4.2932 7.7498 118.6700 54.3267 31.5951 174.7182 131 E 4.7332 8.4332 124.1419 55.5382 30.2440 174.6171 132 Y 5.1792 8.8260 125.4427 56.4348 40.8845 174.9726 133 F 5.4924 8.8003 116.5760 55.9083 42.2218 173.2214 134 S 4.7424 8.4774 111.8087 57.9728 66.5849 174.3848 135 I 5.5249 9.1283 122.2612 59.8967 40.9779 174.5612 136 T 5.0555 9.1823 116.0753 59.9289 72.0158 172.5923 137 L 4.6858 8.4866 127.9216 53.7212 43.3982 174.7884 138 L 5.2685 9.0360 127.5334 53.1085 44.1787 176.0578 139 G 4.6825 9.1059 109.5056 44.3504 0.0000 173.8117 140 R 3.8788 9.6537 123.9745 58.0671 30.7573 176.6038 141 T 4.8938 7.8636 107.9282 59.2318 71.6425 174.9085 142 K 3.7515 8.1928 121.8568 58.4562 32.2482 176.9725 143 E 4.8413 7.4533 115.7398 54.4009 32.4378 175.1588 144 L 4.8193 8.0828 119.5056 52.5390 46.1718 176.3151 145 A 4.1474 8.4809 123.8111 52.1655 19.1884 178.8945 146 S 4.1162 8.8653 116.8151 61.8777 62.7058 176.7610 147 E 4.0744 8.1873 122.0820 59.0864 29.3870 178.6784 148 L 4.0889 8.0487 119.1276 57.4999 41.7635 179.5142 149 K 4.3742 8.0717 118.0545 59.6210 32.0296 179.0126 150 E 4.0948 8.8067 119.2857 59.6084 29.4903 179.0177 151 N 4.4070 8.3294 116.6788 56.1298 38.9678 176.9218 152 F 4.4280 8.4170 122.5666 61.3724 39.5581 177.1781 153 I 3.4756 8.4842 119.8214 64.3993 36.8590 178.6805 154 R 3.9171 8.3413 119.1063 59.1025 29.6930 178.7267 155 F 4.2501 7.9263 119.0296 61.6383 39.5964 176.7827 156 S 4.0335 7.9546 114.4370 61.7958 62.5702 176.7248 157 K 4.3248 8.2239 122.2205 58.9626 31.7240 179.1729 158 S 4.2327 8.0573 112.4088 60.0847 62.7379 175.3084 159 L 4.4737 8.1902 122.5528 54.2438 42.0241 177.1733 160 G 3.9409 8.3377 107.5593 45.1969 0.0000 173.8522 161 L 4.3669 7.5470 120.7611 52.8103 42.8468 174.7740 162 P 4.7787 0.0000 0.0000 61.7869 32.6515 176.5747 163 E 3.8844 8.8986 120.3651 59.6095 29.4720 178.1629 164 N 4.9004 8.1582 112.3632 53.6405 37.4730 174.6749 165 H 4.6553 8.6450 114.4179 55.5901 29.8492 172.8773 166 I 4.4546 7.8725 120.8778 59.7864 38.8524 175.1883 167 V 4.5155 8.4493 120.5432 59.4913 34.9422 175.5451 168 F 4.7640 8.6924 121.7515 53.9622 39.9799 173.1619 169 P 4.5044 0.0000 0.0000 63.0843 32.1493 176.1961 170 V 3.9319 8.6755 123.8659 61.7884 32.5451 173.6624 171 P 4.6840 0.0000 0.0000 62.9671 31.8890 175.4612 172 I 4.7096 8.1323 115.4714 59.5541 40.8714 174.2616 173 D 4.7012 8.2442 118.1037 55.4057 42.5177 177.4510 174 Q 3.7901 7.5322 116.9845 57.1409 29.2159 176.7377 175 C 4.3653 8.8254 124.5097 57.7599 38.9366 174.3013 176 I 3.9790 7.5501 108.4979 60.3015 37.9206 172.7977 177 D 4.8842 8.6021 126.0757 54.6860 41.1972 174.5956 178 G 4.4379 8.2476 110.4558 45.2319 0.0000 172.1058 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 3 S 8.33 4.51 0.00 3.89 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 4 T 7.01 4.52 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 1.22 0.00 0.00 5 S 7.68 4.59 0.00 3.95 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 6 D 8.67 4.59 0.00 2.73 2.66 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 7 L 8.17 4.79 0.00 1.56 1.56 0.33 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.13 3.93 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.41 1.01 0.00 0.00 9 P 0.00 4.20 0.00 2.00 1.99 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 10 A 8.31 3.51 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 11 P 0.00 4.34 0.00 1.87 1.67 0.00 2.86 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 1.58 1.46 0.00 12 P 0.00 4.34 0.00 2.15 2.12 0.00 3.55 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 1.94 1.89 0.00 13 L 8.55 3.73 0.00 1.69 1.68 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.93 4.13 0.00 3.91 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 15 K 7.98 4.08 0.00 1.72 1.73 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.26 7.81 16 V 7.46 4.17 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 0.45 0.00 0.00 -0.04 0.00 0.00 17 P 0.00 4.40 0.00 2.10 1.92 0.00 3.74 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 2.11 2.10 0.00 18 L 7.88 4.88 0.00 1.50 1.43 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.74 4.09 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 20 Q 8.85 4.20 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 21 N 8.78 4.17 0.00 2.87 2.88 0.00 0.00 6.88 7.45 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 22 F 8.38 4.20 0.00 3.18 3.05 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 23 Q 8.91 4.33 0.00 1.25 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 24 D 8.76 5.00 0.00 3.11 3.43 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 25 N 8.27 4.52 0.00 2.90 3.13 0.00 0.00 6.29 6.99 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 26 Q 7.29 4.10 0.00 1.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 27 F 7.88 4.80 0.00 3.38 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 28 H 8.00 4.68 0.00 3.60 3.73 0.00 5.57 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 29 G 9.36 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.63 0.00 1.58 1.39 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.84 1.16 7.81 31 W 8.59 5.02 0.00 3.37 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 32 Y 9.18 4.84 0.00 3.08 2.87 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 33 Q 9.08 4.75 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 34 V 8.41 4.05 2.20 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 0.99 0.00 0.00 1.05 0.00 0.00 35 G 8.25 3.61 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 0.00 0.00 0.00 36 R 8.61 5.29 0.00 1.84 1.69 0.00 3.00 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 37 A 8.95 5.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.15 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 39 N 7.86 4.21 0.00 2.83 2.46 0.00 0.00 6.88 8.52 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 40 A 7.03 4.26 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 41 A 9.08 4.03 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 42 L 8.09 2.67 0.00 1.66 1.47 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 *48 P 0.00 4.21 0.00 2.23 2.11 0.00 3.77 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 1.90 2.01 0.00 49 Q 8.36 4.17 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.08 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 50 K 8.60 4.73 0.00 1.70 1.82 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.47 7.81 51 M 8.79 4.36 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.64 0.00 52 T 8.63 5.00 4.41 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 1.27 0.00 0.00 53 A 8.71 5.30 1.15 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 0.00 0.00 54 Q 9.36 4.95 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 55 I 8.69 4.84 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 64 Y 9.13 5.27 0.00 2.98 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 65 N 9.06 4.77 0.00 2.81 2.70 0.00 0.00 6.71 7.04 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 66 V 8.37 4.14 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 0.16 0.00 0.00 -0.57 0.00 0.00 67 T 8.42 5.05 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 1.35 0.00 0.00 68 A 9.31 4.96 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 69 V 8.63 4.65 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 0.79 0.00 0.00 0.65 0.00 0.00 70 R 8.45 4.86 0.00 1.85 1.98 0.00 2.71 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 71 F 8.85 5.34 0.00 2.92 3.05 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 72 R 8.51 4.26 0.00 1.74 1.61 0.00 3.23 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 73 K 9.19 3.66 0.00 1.81 1.75 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.34 7.81 74 K 7.51 3.87 0.00 1.90 2.00 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 75 K 7.78 4.81 0.00 1.88 1.70 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.39 7.81 76 C 8.77 5.10 0.00 2.98 2.74 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 77 D 8.69 4.95 0.00 2.71 2.44 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 78 Y 8.77 5.28 0.00 2.81 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 A 8.82 4.66 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 80 T 8.68 4.95 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 81 M 9.16 4.84 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 82 T 8.30 5.03 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 1.37 0.00 0.00 83 F 9.34 5.52 0.00 2.97 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 84 V 9.70 4.77 2.31 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 1.04 0.00 0.00 1.06 0.00 0.00 85 P 0.00 4.12 0.00 1.97 1.93 0.00 3.83 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 2.12 2.40 0.00 86 G 8.43 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 0.00 0.00 0.00 0.00 87 S 8.78 4.44 0.00 3.94 3.97 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 88 Q 7.46 4.50 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.89 0.00 0.00 0.00 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0.00 0.00 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 Y 8.36 4.98 0.00 2.95 2.74 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 0.00 107 L 9.46 5.05 0.00 1.61 1.51 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.64 4.40 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 0.53 0.00 0.00 0.53 0.00 0.00 109 R 8.58 4.71 0.00 1.85 1.81 0.00 3.04 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 110 V 8.67 3.64 1.65 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 0.71 0.00 0.00 0.32 0.00 0.00 111 V 9.16 3.75 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 0.27 0.00 0.00 0.98 0.00 0.00 112 S 7.31 4.83 0.00 3.83 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 0.00 113 T 8.73 4.95 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 0.60 0.00 0.00 114 N 8.59 4.72 0.00 2.89 2.85 0.00 0.00 6.15 7.55 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 0.00 115 Y 8.10 4.39 0.00 3.25 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 0.00 116 N 8.18 4.86 0.00 2.77 2.91 0.00 0.00 5.78 7.39 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 0.00 117 Q 8.20 4.77 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 118 H 9.22 5.85 0.00 3.20 3.48 0.00 5.29 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 0.00 119 A 8.81 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 M 9.16 5.17 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 121 V 8.75 4.68 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 0.28 0.00 0.00 0.89 0.00 0.00 122 F 8.93 5.36 0.00 3.23 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 0.00 123 F 8.92 4.98 0.00 2.65 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 0.00 124 K 8.35 5.06 0.00 1.68 1.56 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.59 7.81 125 K 9.16 4.77 0.00 2.08 1.68 0.00 1.46 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.56 7.81 126 V 9.00 4.82 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 1.04 0.00 0.00 0.96 0.00 0.00 127 S 8.81 5.02 0.00 4.06 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 0.00 128 Q 10.09 3.26 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.72 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 129 N 8.40 4.33 0.00 2.89 2.97 0.00 0.00 7.10 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 0.00 130 R 7.75 4.29 0.00 1.76 1.50 0.00 3.18 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 131 E 8.43 4.73 0.00 1.94 1.83 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 2.29 2.47 0.00 132 Y 8.83 5.18 0.00 2.96 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 0.00 133 F 8.80 5.49 0.00 2.92 3.05 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 0.00 134 S 8.48 4.74 0.00 3.95 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 0.00 135 I 9.13 5.52 2.30 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.04 1.55 0.00 0.00 136 T 9.18 5.06 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 0.00 137 L 8.49 4.69 0.00 0.46 0.66 0.98 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.04 5.27 0.00 1.18 1.66 0.50 0.78 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 0.00 139 G 9.11 4.68 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 0.00 0.00 0.00 140 R 9.65 3.88 0.00 1.84 1.88 0.00 2.21 0.00 0.00 2.71 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 141 T 7.86 4.89 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 1.23 0.00 0.00 142 K 8.19 3.75 0.00 1.50 1.66 0.00 1.42 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.39 7.81 143 E 7.45 4.84 0.00 1.94 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 2.16 2.32 0.00 144 L 8.08 4.82 0.00 1.63 1.56 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.48 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 0.00 146 S 8.87 4.12 0.00 4.03 4.14 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 0.00 147 E 8.19 4.07 0.00 2.07 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 2.40 2.42 0.00 148 L 8.05 4.09 0.00 1.93 1.72 0.92 0.44 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 0.00 149 K 8.07 4.37 0.00 1.96 1.96 0.00 1.33 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.74 1.79 7.81 150 E 8.81 4.09 0.00 2.15 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 2.60 2.49 0.00 151 N 8.33 4.41 0.00 3.00 3.04 0.00 0.00 6.88 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 0.00 152 F 8.42 4.43 0.00 3.17 3.38 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 0.00 153 I 8.48 3.48 2.13 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 1.75 1.00 0.95 0.00 0.00 154 R 8.34 3.92 0.00 1.91 2.03 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 155 F 7.93 4.25 0.00 3.11 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 0.00 156 S 7.95 4.03 0.00 3.80 3.72 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 0.00 157 K 8.22 4.32 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.39 7.81 158 S 8.06 4.23 0.00 3.96 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 0.00 159 L 8.19 4.47 0.00 1.70 1.60 0.59 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.34 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 0.00 161 L 7.55 4.37 0.00 1.69 1.56 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.78 0.00 2.35 2.17 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.95 0.00 163 E 8.90 3.88 0.00 2.04 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 0.00 2.44 2.39 0.00 164 N 8.16 4.90 0.00 2.88 2.92 0.00 0.00 5.80 7.90 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 0.00 165 H 8.64 4.66 0.00 3.37 3.33 0.00 5.55 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.87 4.45 2.00 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 1.09 0.75 0.76 0.00 0.00 167 V 8.45 4.52 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 0.85 0.00 0.00 0.95 0.00 0.00 168 F 8.69 4.76 0.00 2.93 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 0.00 169 P 0.00 4.50 0.00 1.98 2.05 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 170 V 8.68 3.93 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 1.03 0.00 0.00 0.97 0.00 0.00 171 P 0.00 4.68 0.00 1.93 1.88 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 172 I 8.13 4.71 2.01 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 1.45 0.65 1.02 0.00 0.00 173 D 8.24 4.70 0.00 2.62 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 0.00 174 Q 7.53 3.79 0.00 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.00 0.00 0.00 0.00 0.00 0.00 1.76 2.11 0.00 175 C 8.83 4.37 0.00 3.09 3.17 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 0.00 176 I 7.55 3.98 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.68 1.00 0.00 0.00 177 D 8.60 4.88 0.00 2.97 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 0.00 178 G 8.25 4.44 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 0.00 * Residues marked with a * may have inaccurate shift predictions.