NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.9072 8.1676 115.9299 57.2658 40.3396 177.0633 11 H 3.5241 7.4232 116.9740 56.9541 28.7665 173.7212 12 E 3.7310 8.5264 122.0318 58.9864 30.3696 178.3484 13 M 4.4915 7.2285 116.2994 55.4988 32.3336 177.0842 14 R 4.4634 7.7421 114.2958 55.5024 34.0325 175.1508 15 E 3.8674 7.7084 118.4399 56.0675 29.9885 175.3104 16 P 4.2683 0.0000 0.0000 62.6298 31.7547 176.1581 17 R 4.4857 9.0669 122.0924 53.9822 32.9230 175.2785 18 I 4.2124 8.3421 122.0016 61.2478 36.9600 175.4180 19 E 4.2844 9.0871 130.1115 58.6212 30.1333 176.9228 20 K 4.8681 7.7123 116.4359 55.6320 36.4054 175.1098 21 V 4.7011 8.8174 121.7825 61.4236 34.5328 174.5507 22 V 5.1744 8.2386 129.6223 60.8157 32.7749 174.8887 23 V 4.4038 7.8785 121.9738 60.8353 33.4287 174.8506 24 H 5.1074 9.1753 123.3640 55.5065 33.7299 172.1673 25 M 4.7401 8.7071 124.4190 52.9934 33.2496 173.4185 26 G 3.4365 7.8746 108.4096 46.4084 0.0000 170.2723 27 I 3.9867 8.9553 129.4984 59.1389 37.6864 176.0929 28 G 3.7107 6.5280 124.3120 46.4207 0.0000 173.5756 29 H 4.6211 7.4421 111.3417 56.0053 32.1213 174.0579 *35 A 4.2390 7.6960 123.2590 52.3309 19.9859 177.4203 36 N 4.5094 8.5521 119.7828 53.9198 38.4362 176.7592 37 A 4.1590 7.9665 123.0189 54.4184 17.9178 178.5616 38 E 3.8880 8.0032 117.8108 59.2776 29.6375 178.8803 39 D 4.4423 7.9878 118.9262 57.3106 41.1022 178.4211 40 I 3.8909 7.5574 113.8236 63.9332 37.5842 178.3180 41 L 4.2687 7.9729 120.4644 57.4413 41.2032 179.4573 42 G 3.6248 7.6322 102.5909 46.8048 0.0000 175.7179 43 E 4.1645 7.4677 119.0174 59.1887 29.7478 178.5936 44 I 4.0025 8.1683 118.2420 63.7426 38.1673 177.3677 45 T 4.4155 8.8063 109.9988 64.3585 69.2975 174.2730 46 G 3.5653 6.8596 116.2100 44.7648 0.0000 173.8950 47 Q 4.2714 7.1478 117.1122 54.8612 29.9696 174.0825 48 M 4.3124 8.2311 117.7955 54.1564 33.0188 173.6490 49 P 4.6520 0.0000 0.0000 62.5864 32.9972 175.6356 50 V 4.5045 8.1891 114.4412 59.6695 34.8160 175.7797 51 R 5.1385 8.3289 121.6880 55.7856 31.7026 175.7506 52 T 4.6085 8.2636 115.8231 62.0759 71.7117 174.0282 53 K 5.2296 8.8444 124.9270 53.8176 35.5620 174.1273 54 A 4.8964 8.4082 121.2482 50.5153 22.5200 175.8754 55 K 4.4638 7.9324 116.9306 55.8168 35.6975 173.9274 56 R 3.9862 8.9625 129.7535 55.3876 30.1443 176.2673 57 T 4.0502 8.4771 118.3401 63.7806 69.0185 173.8238 58 V 4.4149 8.9100 126.9072 60.6396 33.5374 176.8942 59 G 3.6965 8.6818 115.4106 48.1277 0.0000 173.9873 60 E 4.2861 8.0158 119.6901 56.6932 28.3143 175.7545 61 F 4.1570 7.9520 114.3521 60.0901 39.2844 174.5040 62 D 4.9003 7.7051 112.1232 52.6813 41.1019 176.4728 63 I 3.6387 7.5362 116.0550 63.6791 38.6956 177.0103 64 R 3.7901 7.8326 121.7307 55.7459 30.6577 174.6662 65 E 3.8032 9.0603 127.9692 58.1232 28.8706 177.6396 66 G 3.9033 8.7894 113.8372 46.7924 0.0000 173.3486 67 D 4.7527 8.4512 124.2875 50.8517 42.6417 173.1300 68 P 4.3765 0.0000 0.0000 64.1826 31.4437 175.5588 69 I 4.3282 9.5654 123.3661 62.5586 40.8589 174.2657 70 G 4.0994 7.5881 110.1465 45.8723 0.0000 171.2402 71 A 5.0393 7.9808 120.9797 51.1320 23.3148 176.1424 72 K 5.0606 9.3379 119.7568 55.2211 37.0992 175.8193 73 V 4.2108 8.7285 120.6756 61.4664 34.2419 174.5460 74 T 4.3703 8.4963 119.7393 61.0918 69.1142 173.9035 75 L 4.4516 8.9865 128.7771 53.7488 43.0041 176.2602 76 R 4.8250 8.3619 122.5678 54.1901 33.4488 175.9558 77 D 4.3558 8.9688 121.9294 55.6564 39.7837 175.7935 78 E 3.9613 9.1076 127.4515 61.0587 28.7931 178.0609 79 M 4.0254 8.2969 117.6680 58.2909 31.8321 178.7332 80 A 4.0140 7.7612 120.4071 55.1512 18.9932 179.4429 81 E 4.0364 8.1940 116.5700 59.6896 29.3741 179.3274 82 E 4.0261 8.2368 117.7649 59.3801 29.6981 178.9084 83 F 4.2310 7.8814 120.5015 61.1718 39.6118 177.2769 84 L 4.1583 8.3997 118.5694 57.4316 41.2411 179.1473 85 Q 4.1295 8.0384 117.4594 57.8563 28.5596 177.4872 86 T 4.2899 7.4337 108.6055 63.0147 70.6757 175.7618 87 A 3.9962 7.7240 123.8985 54.7904 18.5368 179.2587 88 L 3.7724 7.8122 116.5342 57.8083 41.6446 178.3749 89 P 4.3394 0.0000 0.0000 65.2062 31.2804 178.3366 90 L 4.1339 7.8102 117.1915 55.9377 41.8809 177.1172 91 A 4.7970 7.3152 119.5687 49.8517 22.0965 175.3414 92 E 4.0917 8.6751 121.0770 56.1614 30.1087 177.4933 93 L 4.3681 8.2683 123.5301 54.3906 43.1467 174.5270 94 A 4.4792 8.1088 120.9341 52.5635 22.1979 175.8835 95 T 4.3852 8.6001 113.6440 66.0906 69.3518 178.0998 96 S 4.9098 7.8530 114.0827 59.0440 62.9417 173.9877 97 Q 4.6631 8.3518 117.6231 56.7280 30.1669 173.5091 98 F 5.0834 7.9174 112.8768 55.3259 42.3545 174.2377 99 D 4.9302 9.4625 123.7014 52.7550 42.3834 177.3638 100 D 4.6478 8.7792 124.2768 57.4479 40.9166 177.8233 101 T 4.2200 7.7428 114.1049 63.8251 69.0331 175.1079 102 G 4.1817 8.7992 110.6456 46.4453 0.0000 172.4513 103 N 5.3476 8.0244 114.9874 51.2672 42.6785 173.3199 104 F 5.0286 8.1012 111.1982 56.9006 41.2137 173.1251 105 S 4.9123 8.6485 116.1256 56.3855 65.1940 172.9053 106 F 4.8573 9.2289 120.9260 54.4454 41.1579 175.3207 107 G 3.7257 8.5908 107.6420 45.3706 0.0000 170.7395 *128 L 4.0811 7.8655 122.1530 55.0755 43.1927 177.2733 129 D 4.9122 8.8060 124.5826 52.4297 45.1561 175.0260 130 V 4.5337 7.9136 120.8717 61.4804 34.6873 174.2215 131 T 4.8909 8.3275 123.7330 61.5596 72.2239 173.1241 132 V 4.8124 8.1007 124.0655 61.1588 34.9254 173.8099 133 N 5.0063 9.3120 127.2568 52.0987 39.9597 173.8351 134 L 4.9432 8.3432 126.2090 54.1444 43.5446 176.1303 135 V 4.0173 7.9450 119.0731 61.6165 35.0656 171.4367 136 R 4.6082 7.8782 119.6867 54.1169 31.9474 176.2334 137 P 4.1515 0.0000 0.0000 64.3786 32.4226 177.5191 138 G 4.2759 8.4417 107.1064 44.5846 0.0000 173.1620 139 Y 4.3695 7.9235 120.4357 59.3463 40.1157 176.8307 140 R 4.1353 8.1921 119.7042 58.9298 30.3980 178.2944 141 V 3.5054 7.9034 116.9475 65.0843 31.6603 176.6112 142 A 5.2180 7.8282 120.5229 50.7918 18.9223 177.1705 143 K 4.4426 7.5121 117.3811 57.3839 34.7413 177.3596 144 R 4.2095 7.8020 114.3820 55.9968 30.3649 174.0593 145 D 4.6923 8.1825 113.6401 56.2391 42.8756 176.3995 146 K 3.9074 7.8926 117.7304 57.8550 32.4900 176.4905 147 A 3.8371 8.8971 125.1618 52.5455 16.3544 176.6577 148 S 4.3510 7.4246 112.4444 60.8773 63.4079 173.8915 149 R 4.6754 8.9204 122.4277 54.5986 33.7914 174.1061 150 S 4.5847 8.5556 118.7212 57.6580 63.7046 173.6277 151 I 3.9292 8.1225 125.6914 60.2343 37.3756 174.6572 152 P 4.4399 0.0000 0.0000 62.6158 31.8137 177.3941 153 T 3.9106 8.5189 110.6550 64.8071 68.8189 175.9664 154 K 4.0972 8.1151 120.7348 59.7424 32.1848 177.6859 155 H 4.3222 8.1123 115.1688 57.5058 30.1540 175.4453 156 R 4.2294 7.3670 117.8656 56.1491 30.5620 176.1414 157 L 4.1596 8.2218 122.1923 55.0532 43.1402 176.5282 158 N 5.0142 8.2179 120.9571 50.8521 42.1712 174.6129 159 P 4.2059 0.0000 0.0000 65.7792 31.5292 179.0379 160 A 3.7687 7.7563 118.9584 55.2196 18.2857 179.0656 161 D 4.2258 8.0387 115.5207 56.7811 41.2285 178.2159 162 A 4.0931 7.7095 121.5431 54.9917 18.6248 179.3210 163 V 3.0799 7.6800 116.9743 66.1057 31.4166 177.7805 164 A 3.8760 7.9349 120.1174 55.2023 18.0060 179.0083 165 F 4.0648 7.6314 117.4779 61.6551 39.7445 177.1435 166 I 3.2152 7.6131 118.8897 64.3169 36.7541 178.1321 167 E 4.4362 7.9455 119.8818 58.4099 29.4023 178.0252 168 S 4.4731 7.4761 110.2719 58.5995 62.9886 174.4286 169 T 3.9243 7.1319 116.9037 63.2178 69.7928 172.9299 170 Y 3.5480 7.6777 127.8445 58.1286 35.1007 168.5389 171 D 4.3512 6.7713 117.5253 53.6298 41.6764 174.9447 172 V 4.6142 8.0617 118.0467 60.7563 34.5365 175.9202 173 E 4.2139 8.5373 122.7466 56.9210 31.5928 176.8877 174 V 3.6308 8.4107 118.0390 64.0772 32.5816 173.4100 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 F 8.17 4.91 0.00 3.30 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 11 H 7.42 3.52 0.00 3.07 2.64 0.00 5.47 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.53 3.73 0.00 1.75 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 2.33 2.27 0.00 13 M 7.23 4.49 0.00 2.21 2.08 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 2.61 2.65 0.00 14 R 7.74 4.46 0.00 1.85 1.77 0.00 3.21 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 15 E 7.71 3.87 0.00 1.74 1.88 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 2.50 2.40 0.00 16 P 0.00 4.27 0.00 1.00 1.58 0.00 3.47 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 17 R 9.07 4.49 0.00 1.76 1.90 0.00 2.75 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 18 I 8.34 4.21 2.02 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 1.03 0.00 0.00 19 E 9.09 4.28 0.00 1.86 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 0.00 2.32 2.27 0.00 20 K 7.71 4.87 0.00 1.81 1.83 0.00 1.49 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.42 7.81 21 V 8.82 4.70 2.02 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 0.91 0.00 0.00 1.04 0.00 0.00 22 V 8.24 5.17 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 0.97 0.00 0.00 0.88 0.00 0.00 23 V 7.88 4.40 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 -0.07 0.00 0.00 0.71 0.00 0.00 24 H 9.18 5.11 0.00 3.14 2.99 0.00 5.52 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 25 M 8.71 4.74 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 26 G 7.87 3.44 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 27 I 8.96 3.99 2.06 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 0.77 0.95 0.00 0.00 28 G 6.53 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.44 4.62 0.00 3.17 3.37 0.00 5.76 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 *35 A 7.70 4.24 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 36 N 8.55 4.51 0.00 2.89 2.96 0.00 0.00 5.95 7.26 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 37 A 7.97 4.16 1.32 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 0.00 0.00 38 E 8.00 3.89 0.00 2.12 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 2.30 2.36 0.00 39 D 7.99 4.44 0.00 2.73 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 40 I 7.56 3.89 1.88 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 1.71 1.02 0.91 0.00 0.00 41 L 7.97 4.27 0.00 1.69 1.72 0.88 0.89 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 42 G 7.63 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.47 4.16 0.00 2.26 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 2.35 2.48 0.00 44 I 8.17 4.00 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.80 1.15 0.00 0.00 45 T 8.81 4.42 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 1.01 0.00 0.00 46 G 6.86 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 0.00 0.00 0.00 47 Q 7.15 4.27 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 48 M 8.23 4.31 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 49 P 0.00 4.65 0.00 2.09 2.00 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 50 V 8.19 4.50 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 0.71 0.00 0.00 0.99 0.00 0.00 51 R 8.33 5.14 0.00 1.68 1.87 0.00 3.44 0.00 0.00 3.91 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 52 T 8.26 4.61 4.37 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 1.21 0.00 0.00 53 K 8.84 5.23 0.00 1.59 1.72 0.00 1.72 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.23 7.81 54 A 8.41 4.90 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 55 K 7.93 4.46 0.00 1.57 1.66 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81 56 R 8.96 3.99 0.00 1.96 1.96 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 57 T 8.48 4.05 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 58 V 8.91 4.41 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 0.98 0.00 0.00 0.99 0.00 0.00 59 G 8.68 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 60 E 8.02 4.29 0.00 2.14 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 2.29 2.32 0.00 61 F 7.95 4.16 0.00 3.00 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 62 D 7.71 4.90 0.00 2.86 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.54 3.64 1.86 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 1.19 0.63 0.94 0.00 0.00 64 R 7.83 3.79 0.00 1.68 2.03 0.00 3.17 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 65 E 9.06 3.80 0.00 1.95 1.70 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 2.27 2.30 0.00 66 G 8.79 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 67 D 8.45 4.75 0.00 2.64 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 68 P 0.00 4.38 0.00 1.94 2.06 0.00 3.59 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 2.02 2.14 0.00 69 I 9.57 4.33 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.26 0.91 0.00 0.00 70 G 7.59 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 0.00 0.00 0.00 71 A 7.98 5.04 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 72 K 9.34 5.06 0.00 1.69 1.86 0.00 1.21 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.31 7.81 73 V 8.73 4.21 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 0.98 0.00 0.00 0.87 0.00 0.00 74 T 8.50 4.37 4.21 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 1.18 0.00 0.00 75 L 8.99 4.45 0.00 1.62 1.57 0.54 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.36 4.82 0.00 1.65 1.81 0.00 3.35 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 1.72 1.61 0.00 77 D 8.97 4.36 0.00 2.89 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 0.00 0.00 0.00 78 E 9.11 3.96 0.00 2.03 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 2.43 2.44 0.00 79 M 8.30 4.03 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 80 A 7.76 4.01 1.42 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 0.00 0.00 81 E 8.19 4.04 0.00 2.09 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 0.00 2.51 2.49 0.00 82 E 8.24 4.03 0.00 2.02 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 2.37 2.48 0.00 83 F 7.88 4.23 0.00 3.28 3.28 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 84 L 8.40 4.16 0.00 2.00 1.85 1.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.04 4.13 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 86 T 7.43 4.29 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 1.12 0.00 0.00 87 A 7.72 4.00 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 88 L 7.81 3.77 0.00 1.82 1.72 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.34 0.00 2.09 2.10 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 90 L 7.81 4.13 0.00 1.92 1.78 0.85 0.49 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 91 A 7.32 4.80 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 92 E 8.68 4.09 0.00 1.99 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 2.32 2.34 0.00 93 L 8.27 4.37 0.00 1.67 1.74 0.89 0.72 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 94 A 8.11 4.48 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 95 T 8.60 4.39 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 1.20 0.00 0.00 96 S 7.85 4.91 0.00 4.03 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 97 Q 8.35 4.66 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 98 F 7.92 5.08 0.00 3.28 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 99 D 9.46 4.93 0.00 2.71 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 0.00 100 D 8.78 4.65 0.00 2.73 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 0.00 101 T 7.74 4.22 4.38 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 1.26 0.00 0.00 102 G 8.80 4.18 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 0.00 103 N 8.02 5.35 0.00 2.83 2.80 0.00 0.00 6.54 8.13 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 0.00 104 F 8.10 5.03 0.00 2.51 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 0.00 105 S 8.65 4.91 0.00 3.76 3.67 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 0.00 106 F 9.23 4.86 0.00 3.07 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 0.00 107 G 8.59 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.08 0.00 1.67 1.59 0.95 1.04 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 0.00 129 D 8.81 4.91 0.00 2.73 2.40 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 0.00 0.00 0.00 0.00 130 V 7.91 4.53 1.00 0.00 0.00 0.00 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 0.91 0.00 0.00 131 T 8.33 4.89 4.13 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 1.17 0.00 0.00 132 V 8.10 4.81 2.58 0.00 0.00 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 1.11 0.00 0.00 133 N 9.31 5.01 0.00 2.75 2.66 0.00 0.00 6.89 6.27 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 0.00 134 L 8.34 4.94 0.00 1.55 1.46 1.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.94 4.02 1.57 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 0.44 0.00 0.00 0.51 0.00 0.00 136 R 7.88 4.61 0.00 1.76 1.80 0.00 3.14 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 137 P 0.00 4.15 0.00 2.05 2.13 0.00 3.66 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 2.13 2.15 0.00 138 G 8.44 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 0.00 0.00 0.00 0.00 139 Y 7.92 4.37 0.00 2.98 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 0.00 140 R 8.19 4.14 0.00 1.91 1.94 0.00 3.24 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 141 V 7.90 3.51 2.02 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 0.95 0.00 0.00 0.95 0.00 0.00 142 A 7.83 5.22 0.95 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 0.00 0.00 143 K 7.51 4.44 0.00 1.61 1.76 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.92 1.37 7.81 144 R 7.80 4.21 0.00 1.91 2.01 0.00 3.01 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 145 D 8.18 4.69 0.00 2.72 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 0.00 146 K 7.89 3.91 0.00 1.73 1.75 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 147 A 8.90 3.84 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 0.00 148 S 7.42 4.35 0.00 3.81 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 0.00 149 R 8.92 4.68 0.00 1.85 1.70 0.00 3.12 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 150 S 8.56 4.58 0.00 3.89 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 0.00 151 I 8.12 3.93 1.96 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 1.34 1.11 1.03 0.00 0.00 152 P 0.00 4.44 0.00 2.20 2.00 0.00 3.63 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.52 3.91 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 1.23 0.00 0.00 154 K 8.12 4.10 0.00 1.79 1.93 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 155 H 8.11 4.32 0.00 3.11 3.37 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.37 4.23 0.00 2.07 1.88 0.00 3.45 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 157 L 8.22 4.16 0.00 1.53 1.85 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.22 5.01 0.00 2.80 2.67 0.00 0.00 7.01 8.03 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 0.00 159 P 0.00 4.21 0.00 2.09 2.10 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 160 A 7.76 3.77 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 0.00 161 D 8.04 4.23 0.00 2.68 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 0.00 162 A 7.71 4.09 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.68 3.08 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 0.87 0.00 0.00 -0.11 0.00 0.00 164 A 7.93 3.88 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 0.00 165 F 7.63 4.06 0.00 2.94 3.33 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 0.00 166 I 7.61 3.22 1.72 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.73 0.00 0.00 167 E 7.95 4.44 0.00 1.93 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 0.00 2.24 2.18 0.00 168 S 7.48 4.47 0.00 3.94 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 0.00 169 T 7.13 3.92 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 1.01 0.00 0.00 170 Y 7.68 3.55 0.00 3.11 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 0.00 171 D 6.77 4.35 0.00 2.85 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 0.00 172 V 8.06 4.61 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 0.86 0.00 0.00 0.91 0.00 0.00 173 E 8.54 4.21 0.00 2.05 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 2.43 2.25 0.00 174 V 8.41 3.63 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 0.74 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.