NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 E 4.4061 8.4449 120.2325 55.6871 29.9460 174.9740 32 P 4.1885 0.0000 0.0000 63.9938 31.9615 173.9657 33 E 4.2978 8.7197 119.0920 55.4402 31.3481 175.1371 34 N 4.8738 8.5436 122.9627 53.0378 39.4176 174.1500 35 F 5.0131 8.6542 116.0417 56.0232 42.2658 173.2040 36 L 4.5472 8.3810 119.2958 54.5823 44.4426 173.5184 37 E 4.8967 9.3317 126.8012 54.7346 32.4187 175.0743 38 I 5.1044 8.1657 122.1088 60.0241 41.5093 173.2703 39 E 5.0017 9.1888 126.6645 55.0785 33.6519 173.7583 40 V 5.0609 8.8196 125.3766 61.8407 33.7504 174.2065 41 H 4.6709 9.4937 123.4652 56.0170 31.6647 171.5646 42 N 4.2176 8.6448 111.4926 54.6776 36.6446 172.9145 43 P 4.4344 0.0000 0.0000 62.4558 32.9862 176.6639 44 K 4.5280 8.2740 120.0240 55.1691 36.7338 175.1397 45 T 4.7561 8.2832 120.6971 62.1174 70.3651 173.5567 46 H 4.7105 8.7710 122.8767 54.0805 32.5789 173.3954 47 I 4.5543 7.9472 121.6472 58.3150 37.3416 174.2367 48 P 4.2485 0.0000 0.0000 65.8198 31.1150 177.8223 49 N 4.5847 8.3322 114.6190 51.4062 37.4888 177.0182 50 G 3.9295 8.1298 106.1770 47.1398 0.0000 174.6509 51 M 4.2975 8.5800 118.1260 56.4309 33.0386 175.3740 52 D 4.9944 8.7396 115.1215 51.0147 42.7143 175.5581 53 S 4.1906 8.3745 111.5245 58.8667 63.3058 173.6903 54 K 4.0360 8.1646 123.9487 58.5071 31.8752 176.4587 55 G 3.9796 9.0359 114.1702 45.6218 0.0000 172.2774 56 M 4.4496 7.9376 120.1654 55.6961 32.5925 175.5213 57 F 5.5671 8.6255 120.1912 56.1270 42.0957 172.9355 58 T 5.0838 8.9888 109.3736 59.9592 71.6222 172.4198 59 D 5.4628 8.7713 122.4014 51.9891 43.6477 173.6528 60 Y 5.0071 9.2646 114.9448 56.2424 42.7007 174.4006 61 E 4.9480 9.1752 123.3976 55.3903 31.7792 174.8264 62 I 5.0306 8.9716 127.9733 59.7158 39.7523 174.1632 63 I 4.9894 8.7900 128.2403 59.3235 40.4193 173.8445 64 C 5.3139 9.1200 128.6160 57.8436 35.4645 172.5574 65 R 5.1597 8.9153 124.1860 54.8537 33.2537 174.5600 66 T 4.0636 8.7826 117.4581 60.9778 71.4392 173.1942 67 N 4.8997 7.2848 117.3953 51.7319 38.8907 174.7073 68 L 4.0209 7.6348 120.3933 54.4382 42.0838 176.5974 69 P 4.3660 0.0000 0.0000 65.1663 31.2523 177.2414 70 S 4.3249 8.0568 111.8968 58.9968 63.7155 174.0587 71 F 4.3744 7.8639 119.4953 56.9062 40.0102 175.2668 72 H 4.8883 9.8809 118.7911 55.6911 29.6646 174.8362 73 K 4.6745 7.7299 116.9863 55.2347 35.5386 176.0797 74 R 4.4864 8.7663 120.5206 58.6809 30.9873 176.0488 75 V 4.9635 7.7574 116.8914 61.1038 33.8922 174.6237 76 S 4.8697 9.1568 123.1818 56.6642 66.8880 173.2946 77 K 4.9329 8.5743 124.0193 55.3158 34.6213 175.2304 78 V 4.6567 8.7628 119.9641 59.7527 36.5950 174.5601 79 R 5.2616 8.4300 119.6816 54.8319 32.9277 176.0339 80 R 4.9965 9.3575 121.4613 54.8848 35.0186 174.9829 81 R 5.1086 9.4013 120.3454 55.2273 32.0281 176.7425 82 Y 4.1999 9.3779 120.1282 61.2673 38.6108 178.5678 83 S 4.5471 8.3587 115.2132 60.6556 62.9141 176.0235 84 D 4.6204 8.4900 123.4298 57.4381 40.6546 178.4709 85 F 3.8192 8.2110 117.8389 60.4414 38.3690 177.3937 86 E 3.7785 8.1721 118.2487 59.3637 29.0579 179.2341 87 F 4.3934 8.1093 119.4529 61.2581 39.5518 176.5139 88 F 4.4088 8.3502 119.6306 61.2565 39.3239 176.7341 89 R 3.7781 7.8315 118.2149 59.1361 29.8019 179.0153 90 K 3.9376 7.3751 114.0830 57.2679 31.6351 178.3321 *92 L 4.0014 7.7856 122.5864 55.1411 43.6258 178.9679 93 I 3.6138 7.9159 119.5711 64.1848 36.9857 178.4359 94 K 3.9288 8.4216 121.0201 59.2808 31.8114 178.5440 95 E 3.9226 7.9928 118.3230 59.2753 29.7595 178.2104 96 I 3.8406 8.0033 120.4207 64.5041 36.6267 178.5552 97 S 4.1744 7.8377 115.1206 61.4863 62.7439 175.6375 98 M 4.4198 7.8060 118.9816 55.8167 31.8354 176.5940 99 L 4.4956 7.1926 118.4402 53.7129 42.5975 175.9320 100 N 4.0671 7.6617 116.6394 53.9108 37.4843 174.7589 101 H 4.8620 7.2993 119.6070 54.2016 31.1108 173.4103 102 P 4.4196 0.0000 0.0000 64.2284 31.5145 177.4986 103 K 4.4329 7.7877 116.6685 56.1222 33.0883 175.7199 104 V 3.8522 7.7686 120.5011 62.2953 31.7914 174.9572 105 M 4.4364 8.4263 127.0126 53.5378 33.5457 175.3705 106 V 4.0992 8.0903 123.5900 59.9850 32.7564 173.6668 107 P 4.4651 0.0000 0.0000 62.9760 31.6766 175.7861 108 H 4.7148 8.5065 115.3519 55.0972 29.5747 175.0874 109 L 3.9068 8.1391 120.5465 53.2070 42.2935 175.4109 110 P 4.1861 0.0000 0.0000 65.8630 31.0440 176.3346 111 G 4.1852 7.8599 104.1904 43.5399 0.0000 173.7831 112 K 3.9579 8.2998 119.6274 56.0423 32.8288 176.7500 113 I 4.6071 7.5008 120.5354 58.7698 40.5868 175.6266 114 L 4.0028 8.2231 123.1272 55.6886 40.7257 177.2418 115 L 3.8682 8.5298 123.5949 58.7983 42.0938 181.0339 116 S 4.6454 7.8069 111.0400 57.9544 62.4330 174.2729 117 N 4.9691 9.0367 119.3196 54.6775 42.3841 175.9602 118 R 3.8944 7.4350 112.4419 57.8324 29.4401 177.0605 119 F 4.8772 7.6227 115.8853 57.3410 39.8462 176.0944 120 S 4.3963 7.7745 115.9801 57.6523 64.1095 173.8680 121 N 4.2655 8.7362 125.7916 57.1749 38.6904 176.8233 122 E 3.9469 8.2213 119.1423 59.5366 29.5273 179.6085 123 V 3.5470 7.6948 117.4407 66.0869 31.6785 177.8913 124 I 3.7810 7.8737 119.5620 64.4048 36.8807 178.0377 125 E 3.9820 8.4341 120.1387 59.4238 29.5018 178.2042 126 E 3.9150 8.4569 118.8486 59.7749 29.5846 179.2684 127 R 3.7799 8.2333 118.1628 59.4883 30.0933 178.4274 128 R 3.6648 8.3707 118.6761 59.7028 30.1141 178.3866 129 Q 4.1207 8.3644 117.9140 58.9716 28.6136 179.2098 130 G 3.6078 8.1741 106.6548 47.8505 0.0000 175.8254 131 L 3.7811 8.2410 121.9247 57.1519 41.5951 179.0874 132 N 4.3745 8.4950 117.5413 57.0143 38.9085 177.1470 133 T 3.8955 8.0130 117.0294 66.3258 68.5977 176.3372 134 W 4.1160 8.4611 130.5577 60.9715 30.6849 177.6730 135 M 4.3127 8.8634 118.2921 58.8795 31.4814 178.1978 136 Q 4.0523 7.9360 117.0562 58.7329 28.9054 178.4881 137 S 4.2293 7.8236 116.0610 61.1451 62.7861 176.7332 138 V 3.2431 7.3225 121.0519 65.8819 31.2263 177.6532 139 A 4.2484 8.0142 119.9051 53.6007 18.3455 178.1417 140 G 3.7869 7.3789 103.7413 46.2604 0.0000 174.3289 141 H 4.2142 7.8607 121.1104 55.4041 30.4234 173.4751 142 P 4.1798 0.0000 0.0000 66.1279 31.2157 178.4883 143 L 4.0162 7.5121 116.8480 57.5000 41.5580 179.3156 144 L 4.0553 7.9269 118.7136 57.7112 41.4424 179.1899 145 Q 4.1217 8.1621 117.6233 58.7314 28.7707 178.3813 146 S 4.6250 7.8603 113.5413 59.0308 63.8178 174.9730 147 G 3.9166 8.0810 108.7535 44.9512 0.0000 172.8014 148 S 4.7380 8.2548 116.3707 57.1681 62.7557 174.7537 149 K 3.9548 9.4257 129.4227 59.3050 31.8977 179.4552 150 V 3.7622 7.8685 117.2261 66.0649 31.3748 177.7617 151 L 4.2603 8.0467 119.8813 58.2467 41.8733 179.0990 152 V 3.0282 7.2132 117.5489 65.9103 31.4193 177.8930 153 R 3.9355 7.9664 118.3987 59.5527 29.7018 178.2473 154 F 3.5442 8.1143 119.3889 60.7042 39.1590 176.7050 155 I 3.8712 7.2669 118.3445 63.3668 37.2914 177.3357 156 E 4.2850 8.2937 118.1407 57.3610 30.4279 177.2232 157 A 4.1166 7.3242 120.8663 51.9502 19.0621 177.1122 158 E 4.0266 8.9129 123.0866 58.1804 29.9948 177.1614 159 K 4.5671 7.6706 118.4934 54.1730 34.8212 175.1557 160 F 4.6850 9.1480 128.7859 61.7624 39.5472 177.1042 161 V 3.8624 7.6808 112.0270 61.3957 31.5379 176.4134 162 G 3.7341 8.0178 114.1032 45.9518 0.0000 174.2155 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 31 E 8.44 4.41 0.00 2.06 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 0.00 2.26 2.40 0.00 32 P 0.00 4.19 0.00 2.14 2.12 0.00 3.69 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 2.03 2.14 0.00 33 E 8.72 4.30 0.00 1.94 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 0.00 2.32 2.47 0.00 34 N 8.54 4.87 0.00 2.75 2.68 0.00 0.00 6.77 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 35 F 8.65 5.01 0.00 3.07 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 36 L 8.38 4.55 0.00 1.39 1.47 0.66 0.82 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 37 E 9.33 4.90 0.00 1.99 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 2.26 2.41 0.00 38 I 8.17 5.10 1.89 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 1.32 0.93 0.97 0.00 0.00 39 E 9.19 5.00 0.00 2.06 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 2.24 2.48 0.00 40 V 8.82 5.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.22 0.00 0.00 41 H 9.49 4.67 0.00 3.30 3.44 0.00 5.48 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.64 4.22 0.00 2.52 2.65 0.00 0.00 6.88 7.69 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 43 P 0.00 4.43 0.00 2.00 1.68 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 44 K 8.27 4.53 0.00 1.70 1.36 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.49 7.81 45 T 8.28 4.76 4.09 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 0.00 0.00 0.99 0.00 0.00 46 H 8.77 4.71 0.00 2.23 2.92 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.95 4.55 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 0.97 0.00 0.00 48 P 0.00 4.25 0.00 2.27 2.46 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 49 N 8.33 4.58 0.00 2.98 3.10 0.00 0.00 6.03 6.92 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 50 G 8.13 3.93 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 0.00 0.00 0.00 51 M 8.58 4.30 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.44 0.00 52 D 8.74 4.99 0.00 2.66 2.62 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 53 S 8.37 4.19 0.00 3.96 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 54 K 8.16 4.04 0.00 1.77 1.93 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.42 7.81 55 G 9.04 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 56 M 7.94 4.45 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 1.69 0.00 57 F 8.63 5.57 0.00 3.30 3.22 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 58 T 8.99 5.08 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 1.52 0.00 0.00 59 D 8.77 5.46 0.00 3.05 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 60 Y 9.26 5.01 0.00 3.13 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 61 E 9.18 4.95 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 2.32 2.31 0.00 62 I 8.97 5.03 1.79 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 1.05 0.74 0.95 0.00 0.00 63 I 8.79 4.99 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.78 0.97 0.00 0.00 64 C 9.12 5.31 0.00 3.00 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 65 R 8.92 5.16 0.00 1.90 1.97 0.00 3.24 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 66 T 8.78 4.06 3.65 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 0.45 0.00 0.00 67 N 7.28 4.90 0.00 2.70 2.49 0.00 0.00 6.99 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 68 L 7.63 4.02 0.00 1.71 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.37 0.00 2.18 2.19 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 70 S 8.06 4.32 0.00 3.87 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 71 F 7.86 4.37 0.00 3.08 3.16 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 72 H 9.88 4.89 0.00 3.09 3.35 0.00 5.85 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 73 K 7.73 4.67 0.00 1.84 1.77 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.49 7.81 74 R 8.77 4.49 0.00 1.94 1.98 0.00 3.22 0.00 0.00 3.27 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 75 V 7.76 4.96 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 0.90 0.00 0.00 0.96 0.00 0.00 76 S 9.16 4.87 0.00 3.79 3.86 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 77 K 8.57 4.93 0.00 1.72 1.66 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.65 7.81 78 V 8.76 4.66 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.75 0.00 0.00 79 R 8.43 5.26 0.00 1.69 2.01 0.00 3.23 0.00 0.00 3.60 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 80 R 9.36 5.00 0.00 1.57 1.56 0.00 2.75 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.00 81 R 9.40 5.11 0.00 2.20 2.49 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 82 Y 9.38 4.20 0.00 3.14 3.16 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 83 S 8.36 4.55 0.00 4.18 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 0.00 84 D 8.49 4.62 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 85 F 8.21 3.82 0.00 2.84 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 86 E 8.17 3.78 0.00 2.18 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 2.06 1.95 0.00 87 F 8.11 4.39 0.00 3.15 3.49 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 88 F 8.35 4.41 0.00 2.06 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 89 R 7.83 3.78 0.00 1.87 1.96 0.00 3.15 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 90 K 7.38 3.94 0.00 1.80 1.74 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.60 7.81 *92 L 7.79 4.00 0.00 0.97 1.43 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.92 3.61 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.87 0.00 0.00 94 K 8.42 3.93 0.00 1.73 1.73 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 95 E 7.99 3.92 0.00 1.97 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 2.28 2.39 0.00 96 I 8.00 3.84 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.15 0.89 0.00 0.00 97 S 7.84 4.17 0.00 3.99 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 98 M 7.81 4.42 0.00 2.04 2.14 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 2.75 2.56 0.00 99 L 7.19 4.50 0.00 1.73 1.70 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.66 4.07 0.00 2.81 2.72 0.00 0.00 6.89 7.77 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 0.00 101 H 7.30 4.86 0.00 3.19 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.42 0.00 2.17 2.16 0.00 3.69 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 1.98 1.98 0.00 103 K 7.79 4.43 0.00 1.74 1.83 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 104 V 7.77 3.85 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 0.62 0.00 0.00 0.97 0.00 0.00 105 M 8.43 4.44 0.00 2.01 1.92 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 2.50 2.59 0.00 106 V 8.09 4.10 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 0.85 0.00 0.00 0.81 0.00 0.00 107 P 0.00 4.47 0.00 2.27 2.01 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 108 H 8.51 4.71 0.00 3.34 3.38 0.00 5.52 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 0.00 109 L 8.14 3.91 0.00 1.44 1.33 0.32 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.19 0.00 2.13 2.20 0.00 3.44 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.91 0.00 111 G 7.86 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 0.00 0.00 0.00 0.00 112 K 8.30 3.96 0.00 1.72 1.69 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 113 I 7.50 4.61 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 0.80 0.00 0.00 114 L 8.22 4.00 0.00 1.79 1.77 0.90 0.12 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 0.00 115 L 8.53 3.87 0.00 1.75 1.71 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 116 S 7.81 4.65 0.00 4.05 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 0.00 117 N 9.04 4.97 0.00 2.64 2.82 0.00 0.00 7.01 6.10 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 0.00 118 R 7.43 3.89 0.00 1.50 1.74 0.00 2.84 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.50 0.00 119 F 7.62 4.88 0.00 3.07 3.04 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 0.00 0.00 0.00 120 S 7.77 4.40 0.00 3.93 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 0.00 121 N 8.74 4.27 0.00 2.88 2.82 0.00 0.00 7.06 7.65 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 0.00 122 E 8.22 3.95 0.00 2.05 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 2.41 2.39 0.00 123 V 7.69 3.55 2.23 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 1.11 0.00 0.00 0.93 0.00 0.00 124 I 7.87 3.78 2.06 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 1.72 0.80 1.00 0.00 0.00 125 E 8.43 3.98 0.00 2.11 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 0.00 2.33 2.58 0.00 126 E 8.46 3.91 0.00 2.19 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 2.33 2.47 0.00 127 R 8.23 3.78 0.00 1.77 2.17 0.00 3.15 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 1.29 1.49 0.00 128 R 8.37 3.66 0.00 2.22 2.17 0.00 3.30 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 129 Q 8.36 4.12 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 130 G 8.17 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 0.00 131 L 8.24 3.78 0.00 1.42 1.05 -0.13 -0.59 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 0.00 132 N 8.49 4.37 0.00 3.07 3.02 0.00 0.00 7.18 6.80 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 0.00 133 T 8.01 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 134 W 8.46 4.12 0.00 3.45 3.34 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 0.00 135 M 8.86 4.31 0.00 2.40 2.63 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.93 0.00 136 Q 7.94 4.05 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 137 S 7.82 4.23 0.00 3.78 3.75 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 0.00 138 V 7.32 3.24 1.64 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 0.80 0.00 0.00 -0.50 0.00 0.00 139 A 8.01 4.25 1.43 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 0.00 0.00 140 G 7.38 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 0.00 141 H 7.86 4.21 0.00 3.17 3.26 0.00 5.82 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 0.00 142 P 0.00 4.18 0.00 2.06 2.05 0.00 3.34 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 143 L 7.51 4.02 0.00 1.70 1.62 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.93 4.06 0.00 1.85 1.73 0.87 1.11 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 0.00 145 Q 8.16 4.12 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 146 S 7.86 4.62 0.00 3.97 3.99 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 0.00 147 G 8.08 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 0.00 0.00 0.00 148 S 8.25 4.74 0.00 3.86 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 0.00 149 K 9.43 3.95 0.00 1.93 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 150 V 7.87 3.76 2.38 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 1.30 0.00 0.00 0.99 0.00 0.00 151 L 8.05 4.26 0.00 2.00 1.89 1.16 1.06 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 0.00 152 V 7.21 3.03 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 0.74 0.00 0.00 0.16 0.00 0.00 153 R 7.97 3.94 0.00 2.05 2.33 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.78 0.00 154 F 8.11 3.54 0.00 1.97 2.38 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 0.00 155 I 7.27 3.87 2.24 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.24 1.06 0.00 0.00 156 E 8.29 4.29 0.00 2.02 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 2.45 2.57 0.00 157 A 7.32 4.12 1.45 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 0.00 158 E 8.91 4.03 0.00 1.94 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 2.30 2.30 0.00 159 K 7.67 4.57 0.00 1.71 1.64 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81 160 F 9.15 4.69 0.00 2.90 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 0.00 161 V 7.68 3.86 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 0.62 0.00 0.00 0.89 0.00 0.00 162 G 8.02 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 * Residues marked with a * may have inaccurate shift predictions.