NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 C 4.6103 8.4544 115.4503 55.1712 42.8085 176.7792 45 S 4.2541 8.5796 114.2105 55.6254 62.2873 171.4351 46 R 4.0985 8.2762 126.1777 57.7481 31.3928 176.5831 47 I 4.1020 6.7750 109.6954 60.0478 37.9025 176.9654 48 L 3.9352 8.0659 122.5010 59.0895 41.7982 178.4349 49 R 3.6449 7.4310 116.1195 56.1847 30.6729 175.5780 *51 Q 4.2982 8.4985 119.5099 55.4888 30.6342 176.1988 52 G 4.1939 7.8693 103.4075 45.7378 0.0000 173.2655 53 T 4.6751 9.0701 117.9286 61.2168 70.7596 174.2552 54 R 3.2658 8.2655 127.4987 56.2806 30.9482 176.7674 55 R 4.5073 8.4971 126.7122 54.9299 31.1351 173.7294 56 E 3.8867 8.2964 124.9342 56.7857 31.1483 176.6173 57 G 3.4674 8.8958 111.0619 44.3522 0.0000 171.1226 58 Y 4.7956 7.8716 116.5186 57.2539 38.4671 174.7224 59 T 4.6848 8.7968 119.6930 59.8080 70.7490 173.3740 60 E 4.1660 8.3795 117.9745 57.4261 30.3061 176.0868 61 F 5.4811 7.5704 118.4219 56.0023 41.8153 175.0778 62 S 4.8926 9.1073 118.4873 56.7328 66.7486 172.5363 63 L 5.1506 9.2176 128.1890 53.7394 43.5053 175.5910 64 R 4.6090 8.6278 121.4124 55.6752 33.4434 173.0567 65 V 4.9011 8.1223 117.5772 60.9887 34.5225 175.2713 66 E 4.2504 8.9063 128.1190 58.0583 29.8009 177.2085 67 G 3.9339 8.7505 111.7236 44.2280 0.0000 172.7348 68 D 4.3522 7.6824 116.3564 54.6810 39.5239 170.9816 69 P 4.5823 0.0000 0.0000 62.1244 32.9920 177.0815 70 D 4.6344 8.5551 119.9689 56.1474 41.4614 176.5973 71 F 5.3111 7.4636 111.6753 55.1004 41.1068 174.0563 72 Y 4.7381 8.7289 118.7666 55.8333 40.3276 175.1425 73 K 4.7662 9.2974 120.2479 54.0833 34.7988 174.0161 74 P 4.6749 0.0000 0.0000 63.6298 31.8607 175.9448 75 G 4.1326 8.5902 111.4118 45.8209 0.0000 174.4487 76 T 3.9478 7.8232 117.1823 63.4665 69.4163 173.8698 77 S 4.8810 8.2343 120.8775 57.3702 64.7784 172.9904 78 Y 4.8698 9.4350 120.9066 56.1769 41.8247 174.8519 79 R 4.7865 8.8619 123.2138 55.5016 31.5245 174.9905 80 V 4.8308 9.2292 128.4406 62.1120 33.2398 174.7762 81 T 5.0855 9.0235 117.8029 59.7122 72.2794 172.4018 82 L 5.1798 8.7979 126.1106 53.3577 44.8372 175.2837 83 S 5.3714 9.1188 119.3788 57.0056 67.1512 172.4339 84 A 5.2587 8.9686 122.9345 49.7688 21.0434 176.4834 85 A 3.9490 8.9608 124.6455 52.6612 19.3644 178.1541 86 P 3.9291 0.0000 0.0000 65.1253 32.1891 176.1185 87 P 4.3703 0.0000 0.0000 65.6735 31.5212 177.6866 88 S 4.2759 7.4420 112.2470 58.7735 63.1457 172.4579 89 Y 5.3048 7.5561 119.4226 56.0630 41.5075 173.2027 90 F 5.2586 9.4739 113.5480 55.9977 41.7566 175.0893 91 R 4.9674 8.6753 116.2920 55.3733 32.5296 175.8748 92 G 4.6319 8.3689 104.4231 46.0084 0.0000 172.0618 93 F 5.4077 9.0109 115.3664 56.1764 41.9466 172.7486 94 T 4.5600 8.5946 108.4632 60.0345 72.6783 172.6658 95 L 5.2428 8.4964 123.8093 53.9395 45.8239 174.5388 96 I 5.3508 9.0178 118.4967 59.2367 41.8803 173.6119 97 A 5.1971 9.0150 123.7367 50.2638 21.2148 175.3017 98 L 4.9830 8.8296 121.3950 52.8077 46.2268 176.2545 99 R 4.1072 8.6426 123.2899 55.6850 31.1625 175.9764 100 E 3.9977 9.0327 125.4770 57.4016 30.1659 178.0475 101 N 4.3443 8.7287 119.3943 53.9144 37.3366 174.5740 102 R 4.3257 7.6238 117.8283 55.1803 31.0678 176.4247 103 E 3.9784 8.8037 123.6585 57.4723 29.9175 177.2094 104 G 4.2237 8.4367 107.5302 46.7362 0.0000 175.0301 105 D 4.5742 8.1482 121.9397 53.8562 37.7099 179.2086 106 K 3.9066 8.2370 131.0775 55.9853 29.4764 175.6226 107 E 4.8543 8.1390 113.8147 54.7971 33.2988 177.4958 108 E 4.6800 8.4851 112.5427 57.7042 29.9343 176.9738 109 D 4.7309 7.9529 117.8634 54.4610 39.2309 175.3779 110 H 4.9399 8.3996 117.9242 54.3808 28.4706 175.2644 111 A 4.0613 8.5538 128.2787 52.7614 19.0158 178.8277 112 G 3.9935 8.8815 110.8465 44.4988 0.0000 172.4997 113 T 4.7498 7.2260 106.5159 60.1179 72.0919 173.4951 114 F 5.3282 9.1148 122.6120 57.2184 40.8007 174.7385 115 Q 4.9119 9.3648 121.3465 54.6140 32.7219 174.2848 116 I 4.3162 8.5911 125.8518 60.9816 38.4357 175.3448 117 I 4.1613 8.4316 124.6789 62.7537 38.3748 176.1162 118 D 4.8867 7.5780 124.6944 52.5150 40.5093 176.5810 119 E 4.3636 8.6105 122.7329 57.3870 29.7253 177.7065 120 E 4.4516 7.9860 115.9040 56.5321 30.9105 176.2109 121 E 4.7685 8.1770 118.4951 56.7970 32.8040 175.8280 122 T 5.3212 8.3146 108.0377 60.0844 71.9699 173.5093 123 Q 4.5632 8.8150 119.9790 54.7777 32.5041 173.6988 124 F 4.7388 8.5041 119.0276 57.5814 39.9940 174.9996 125 M 4.2271 8.9398 123.2645 55.1192 32.5092 177.5824 126 S 4.2390 8.6615 121.1429 61.0819 63.6638 175.2744 127 N 4.4071 8.0780 117.7120 55.7063 38.6055 175.5617 128 C 4.6542 7.8556 118.7905 54.5342 44.5742 172.1853 129 P 4.1888 0.0000 0.0000 65.3362 31.1575 178.0515 130 V 4.0412 7.8047 115.6427 61.6249 31.6817 175.0853 131 A 5.0214 7.9295 122.7464 50.4622 22.4053 175.6193 132 V 4.3995 8.4529 122.0156 61.8541 33.2193 174.8745 133 T 4.1362 8.6966 121.8439 58.2512 71.4174 172.3957 134 E 4.8193 7.8346 121.6093 56.3089 30.2724 176.5024 135 S 4.6351 8.5967 114.5775 59.2676 64.8381 174.9103 136 T 4.6238 7.7184 115.3227 60.9195 72.0839 172.7137 137 P 5.3691 0.0000 0.0000 61.6355 30.3950 174.1922 138 R 4.6867 7.1687 120.4126 54.4709 34.5202 175.4928 139 R 4.3360 8.4279 120.8400 56.7759 30.3180 176.6490 140 R 4.7463 9.0757 122.5852 54.6027 34.6554 175.7733 141 T 4.7223 8.2557 108.7568 61.6302 70.7860 173.4279 142 R 5.2199 7.5189 121.1737 55.6114 33.0570 173.6279 143 I 4.8778 9.2819 119.7548 59.1397 41.4072 174.1543 144 Q 5.1064 8.3737 120.0001 54.7496 31.6857 174.3739 145 V 4.5608 8.9682 120.5674 60.1219 35.5249 174.1595 146 F 5.2979 8.7934 121.2038 57.3372 40.5705 174.2824 147 W 5.0975 10.0140 132.8188 55.7174 33.8699 173.8049 148 I 4.4242 8.0727 128.3524 59.4335 38.4933 175.3566 149 A 2.9510 8.1293 129.6327 50.5754 19.5742 175.2348 150 P 4.5975 0.0000 0.0000 61.2873 33.3320 173.9707 151 P 4.4810 0.0000 0.0000 62.0305 31.7530 176.1697 152 A 3.9570 8.4389 122.4005 54.1283 18.4008 177.7959 153 G 3.8007 8.8669 112.7647 47.2229 0.0000 174.4145 154 T 4.2211 8.1478 116.0952 64.2357 70.1772 176.0547 155 G 4.1382 7.8942 105.8620 44.4573 0.0000 172.6317 156 C 5.2667 8.8270 120.6110 55.2280 39.6803 172.3498 157 V 4.8702 9.1411 122.3297 61.1412 34.3843 174.1959 158 I 4.8603 9.6270 128.4388 59.5038 39.7147 174.6137 159 L 4.7005 8.7842 128.6994 53.9870 43.1856 176.1830 160 K 5.1564 9.2022 122.8466 54.4804 35.3520 175.0649 161 A 5.4459 8.9391 126.3741 50.0871 22.0526 175.3373 162 S 5.0412 8.6814 114.4722 56.6478 66.8840 173.0563 163 I 4.9658 8.7268 121.0449 59.4260 41.1820 174.6628 164 V 4.9165 9.1010 125.9099 58.9775 34.0846 174.4251 165 Q 4.5937 8.4043 125.3019 54.0991 31.1826 175.1870 166 K 3.9472 9.1160 128.5365 57.9413 30.0997 178.1771 167 R 4.0500 8.8837 123.8180 60.1355 30.0884 176.7964 168 I 3.8963 7.4981 118.8380 60.4731 38.0680 174.6783 169 I 4.4042 8.0100 126.1425 60.6520 38.2175 174.6595 170 Y 5.5626 9.3352 125.9705 56.8615 39.8788 174.7189 171 F 5.2920 8.1681 115.5471 56.8440 41.3393 172.0413 172 Q 4.5904 8.5612 116.4232 56.4017 30.4683 173.2600 173 D 4.8716 10.3443 119.1454 54.6363 43.0251 177.0988 174 E 4.6004 8.5754 116.9226 54.8832 33.5638 174.6474 175 G 3.3577 8.6631 106.3886 44.7876 0.0000 174.2274 176 S 4.4348 8.7865 113.2443 60.8131 63.4591 174.9161 177 L 4.7236 7.8939 120.6050 54.8959 42.6708 175.8117 178 T 5.0197 8.0952 115.9861 61.7376 72.0000 173.2191 179 K 4.5260 8.9276 127.9859 54.4872 34.8946 174.6360 180 K 5.0256 8.6880 127.0265 55.1295 33.7240 176.0505 181 L 4.9076 9.2499 124.5184 53.2575 45.8928 175.0840 182 C 5.6927 8.8690 121.5057 54.7430 44.0044 175.5170 183 E 2.8842 8.6098 118.0899 58.8567 29.7407 177.0867 *184 Q 4.0326 7.7547 120.2566 55.2400 28.8516 178.0269 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 44 C 8.45 4.61 0.00 3.09 2.27 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 45 S 8.58 4.25 0.00 3.84 3.74 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 46 R 8.28 4.10 0.00 1.84 1.94 0.00 3.40 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 47 I 6.77 4.10 1.80 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 1.26 0.50 0.86 0.00 0.00 48 L 8.07 3.94 0.00 1.50 1.72 0.83 0.93 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 49 R 7.43 3.64 0.00 1.12 1.59 0.00 3.34 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 *51 Q 8.50 4.30 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 52 G 7.87 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 53 T 9.07 4.68 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 1.17 0.00 0.00 54 R 8.27 3.27 0.00 1.27 1.57 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.00 55 R 8.50 4.51 0.00 1.90 1.80 0.00 3.27 0.00 0.00 2.96 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 56 E 8.30 3.89 0.00 1.91 1.74 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 2.22 2.41 0.00 57 G 8.90 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.87 4.80 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.80 4.68 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 1.36 0.00 0.00 60 E 8.38 4.17 0.00 1.67 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 1.47 1.47 0.00 61 F 7.57 5.48 0.00 2.87 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 62 S 9.11 4.89 0.00 3.73 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 63 L 9.22 5.15 0.00 1.53 1.67 0.94 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.63 4.61 0.00 1.88 2.01 0.00 2.76 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 65 V 8.12 4.90 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 1.22 0.00 0.00 0.91 0.00 0.00 66 E 8.91 4.25 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 67 G 8.75 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 68 D 7.68 4.35 0.00 2.76 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 69 P 0.00 4.58 0.00 2.28 2.08 0.00 3.83 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 1.88 2.10 0.00 70 D 8.56 4.63 0.00 2.96 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 71 F 7.46 5.31 0.00 3.01 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 72 Y 8.73 4.74 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.30 4.77 0.00 1.85 1.88 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.53 7.81 74 P 0.00 4.67 0.00 2.11 2.24 0.00 3.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.48 0.00 75 G 8.59 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 0.00 0.00 0.00 0.00 76 T 7.82 3.95 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 0.48 0.00 0.00 77 S 8.23 4.88 0.00 3.53 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 9.43 4.87 0.00 3.32 3.10 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 79 R 8.86 4.79 0.00 2.04 1.91 0.00 3.12 0.00 0.00 3.58 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 80 V 9.23 4.83 2.36 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 0.97 0.00 0.00 1.22 0.00 0.00 81 T 9.02 5.09 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 82 L 8.80 5.18 0.00 1.47 1.20 0.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.12 5.37 0.00 4.04 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 84 A 8.97 5.26 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.96 3.95 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 86 P 0.00 3.93 0.00 2.06 2.04 0.00 3.65 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 1.99 2.15 0.00 87 P 0.00 4.37 0.00 2.01 2.10 0.00 3.66 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 1.98 2.08 0.00 88 S 7.44 4.28 0.00 3.58 3.42 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 89 Y 7.56 5.30 0.00 3.11 2.97 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 90 F 9.47 5.26 0.00 3.22 3.02 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 91 R 8.68 4.97 0.00 1.86 2.04 0.00 3.26 0.00 0.00 3.35 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 92 G 8.37 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.01 5.41 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.59 4.56 4.15 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 1.08 0.00 0.00 95 L 8.50 5.24 0.00 1.92 1.54 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.02 5.35 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 1.00 0.00 0.00 97 A 9.02 5.20 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 98 L 8.83 4.98 0.00 1.68 1.47 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.64 4.11 0.00 2.01 1.84 0.00 3.30 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 100 E 9.03 4.00 0.00 2.18 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 2.32 2.30 0.00 101 N 8.73 4.34 0.00 2.91 2.95 0.00 0.00 6.99 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 0.00 102 R 7.62 4.33 0.00 1.99 2.06 0.00 3.34 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 103 E 8.80 3.98 0.00 1.93 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 0.00 2.29 2.31 0.00 104 G 8.44 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 0.00 0.00 0.00 0.00 105 D 8.15 4.57 0.00 2.71 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 0.00 106 K 8.24 3.91 0.00 1.90 1.75 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 0.98 7.81 107 E 8.14 4.85 0.00 1.94 1.73 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 2.11 1.82 0.00 108 E 8.49 4.68 0.00 2.13 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 0.00 2.33 2.25 0.00 109 D 7.95 4.73 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.40 4.94 0.00 3.22 3.46 0.00 5.62 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 0.00 111 A 8.55 4.06 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 0.00 112 G 8.88 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 0.00 0.00 0.00 113 T 7.23 4.75 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 1.18 0.00 0.00 114 F 9.11 5.33 0.00 3.36 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 0.00 115 Q 9.36 4.91 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 116 I 8.59 4.32 1.89 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.89 0.00 0.00 117 I 8.43 4.16 1.75 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.39 0.80 0.00 0.00 118 D 7.58 4.89 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.36 0.00 1.97 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 0.00 2.33 2.32 0.00 120 E 7.99 4.45 0.00 2.06 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 2.20 2.25 0.00 121 E 8.18 4.77 0.00 1.90 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 0.00 2.27 2.19 0.00 122 T 8.31 5.32 4.30 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 1.35 0.00 0.00 123 Q 8.81 4.56 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 124 F 8.50 4.74 0.00 2.99 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 0.00 125 M 8.94 4.23 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 126 S 8.66 4.24 0.00 4.02 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 0.00 127 N 8.08 4.41 0.00 2.69 2.90 0.00 0.00 6.62 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 0.00 128 C 7.86 4.65 0.00 2.83 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 0.00 129 P 0.00 4.19 0.00 2.11 2.11 0.00 3.80 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 1.95 1.92 0.00 130 V 7.80 4.04 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 0.56 0.00 0.00 0.95 0.00 0.00 131 A 7.93 5.02 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 0.00 132 V 8.45 4.40 1.66 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 0.94 0.00 0.00 0.51 0.00 0.00 133 T 8.70 4.14 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 1.13 0.00 0.00 134 E 7.83 4.82 0.00 2.16 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 0.00 2.26 2.56 0.00 135 S 8.60 4.64 0.00 3.90 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 0.00 136 T 7.72 4.62 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 0.00 137 P 0.00 5.37 0.00 2.20 2.11 0.00 3.32 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 138 R 7.17 4.69 0.00 1.86 1.75 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 139 R 8.43 4.34 0.00 1.53 1.58 0.00 2.53 0.00 0.00 2.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.51 0.00 140 R 9.08 4.75 0.00 0.86 1.49 0.00 2.94 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.00 141 T 8.26 4.72 4.31 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 1.35 0.00 0.00 142 R 7.52 5.22 0.00 1.83 1.80 0.00 3.18 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 143 I 9.28 4.88 1.74 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.61 0.93 0.00 0.00 144 Q 8.37 5.11 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 145 V 8.97 4.56 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 0.85 0.00 0.00 1.00 0.00 0.00 146 F 8.79 5.30 0.00 3.36 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 0.00 147 W 10.01 5.10 0.00 3.41 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 0.00 148 I 8.07 4.42 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.99 0.71 0.00 0.00 149 A 8.13 2.95 1.06 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 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.60 0.00 2.10 2.21 0.00 2.93 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 151 P 0.00 4.48 0.00 2.08 2.07 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 152 A 8.44 3.96 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 0.00 153 G 8.87 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.15 4.22 4.45 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 1.27 0.00 0.00 155 G 7.89 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 0.00 0.00 0.00 156 C 8.83 5.27 0.00 3.00 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 0.00 157 V 9.14 4.87 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 0.69 0.00 0.00 0.94 0.00 0.00 158 I 9.63 4.86 1.85 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 1.22 0.50 0.89 0.00 0.00 159 L 8.78 4.70 0.00 1.47 1.53 0.71 -0.39 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 K 9.20 5.16 0.00 1.68 1.70 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 161 A 8.94 5.45 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 0.00 162 S 8.68 5.04 0.00 4.18 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 0.00 163 I 8.73 4.97 1.47 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.26 -0.22 0.00 0.00 164 V 9.10 4.92 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 1.07 0.00 0.00 1.02 0.00 0.00 165 Q 8.40 4.59 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.00 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 166 K 9.12 3.95 0.00 2.03 1.44 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.56 7.81 167 R 8.88 4.05 0.00 1.80 1.97 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 168 I 7.50 3.90 1.52 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.11 0.43 0.00 0.00 169 I 8.01 4.40 1.86 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 1.32 0.89 0.98 0.00 0.00 170 Y 9.34 5.56 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 F 8.17 5.29 0.00 3.03 3.10 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 0.00 172 Q 8.56 4.59 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 173 D 10.34 4.87 0.00 2.65 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 0.00 174 E 8.58 4.60 0.00 1.89 1.66 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 2.24 2.23 0.00 175 G 8.66 3.36 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 0.00 176 S 8.79 4.43 0.00 4.18 4.51 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 0.00 177 L 7.89 4.72 0.00 1.63 1.87 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.10 5.02 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 1.27 0.00 0.00 179 K 8.93 4.53 0.00 1.82 1.55 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.35 7.81 180 K 8.69 5.03 0.00 1.68 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.45 7.81 181 L 9.25 4.91 0.00 1.42 1.70 0.70 0.81 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 0.00 182 C 8.87 5.69 0.00 2.85 2.97 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 0.00 183 E 8.61 2.88 0.00 1.99 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 2.23 1.87 0.00 *184 Q 7.75 4.03 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.