NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4576 8.3044 120.3354 54.9928 34.1165 175.5881 5 V 4.1969 7.8159 116.6193 60.6443 31.6532 173.7163 6 S 4.6235 8.5641 114.4061 56.4147 65.1946 171.5114 7 P 2.9700 0.0000 0.0000 60.8151 31.4540 174.9099 8 P 4.2538 0.0000 0.0000 61.6999 31.7708 174.6219 9 P 4.2210 0.0000 0.0000 61.9480 31.7003 174.0372 10 P 4.1424 0.0000 0.0000 62.9704 31.9159 175.3867 11 I 4.4378 8.0251 121.3033 58.9923 39.5086 175.1442 12 A 4.0218 8.2624 127.5005 53.6496 18.6741 177.3007 13 D 4.8536 9.8196 121.3972 53.8033 40.1265 173.8452 14 E 4.6910 7.4939 113.2632 54.5457 32.5645 173.5774 15 P 4.4911 0.0000 0.0000 62.3299 33.5841 176.2111 16 L 4.4032 8.1589 121.9209 54.5860 41.1882 174.8210 17 T 4.5882 8.2093 120.3700 62.8522 69.8519 173.8170 18 V 4.7277 9.1245 126.6138 61.2833 33.9050 174.1177 19 N 5.3757 9.2869 126.9569 53.0606 39.9713 174.6861 20 T 5.7579 8.3654 112.3318 59.2813 72.8139 172.8939 21 G 4.9909 8.4919 107.6017 46.3071 0.0000 171.6393 22 I 5.3551 8.6963 121.4642 59.4626 41.2541 173.5752 23 Y 5.0231 9.3468 128.6738 55.7303 40.9623 174.5094 24 L 4.2599 8.4381 128.3515 55.0358 42.3276 177.8198 25 I 4.0787 8.6134 125.4153 63.2271 38.3698 176.0680 26 E 4.7207 7.7632 120.3254 55.2866 32.8776 173.3856 27 C 5.5518 8.3932 123.7659 58.5021 30.9099 172.4347 28 Y 4.4457 8.7317 118.6197 56.5836 41.4263 173.2916 29 S 3.8374 8.7510 111.2213 58.6335 60.3899 171.7838 30 L 4.1245 7.9459 120.6213 55.4804 42.4811 176.1867 31 D 4.7543 8.6843 125.6623 52.3643 40.5778 176.9896 32 D 4.3481 8.5793 118.5128 56.8060 40.7569 177.7258 33 K 4.2627 8.2128 115.6954 55.2939 32.8266 175.7904 34 A 3.8163 8.0476 121.8413 53.5424 16.6233 178.8643 35 E 4.6339 8.9515 121.4539 58.7661 32.1387 177.0995 36 T 5.3018 8.3637 106.7608 59.7844 72.8196 173.0208 37 F 5.2951 7.8599 115.3293 55.9962 41.2383 173.1985 38 K 4.6157 8.7296 120.1987 55.5905 34.0735 175.9821 39 V 4.8998 8.5732 122.1355 61.1656 35.0996 173.5503 40 N 5.2490 9.5615 126.2614 51.8176 41.4482 173.1053 41 A 4.7116 7.7635 126.1654 51.1792 23.6708 174.3044 42 F 5.3526 9.1781 117.9156 56.1297 41.5486 175.2219 43 L 5.4061 9.3043 124.6169 53.6735 44.6248 175.0728 44 S 5.5282 9.2944 122.6651 57.1601 65.4061 173.3114 45 L 5.5749 9.5046 123.0489 53.3401 46.2285 175.4893 46 S 5.6308 9.7135 116.2189 55.9815 66.3112 172.6835 47 W 5.3964 7.9367 121.6161 55.7748 31.3625 172.5181 48 K 4.7619 8.8220 121.9113 55.3306 33.2429 175.4694 49 D 4.8480 9.2528 126.6397 52.3651 43.2229 176.0409 50 R 3.9868 8.7221 123.5764 58.5220 29.8344 178.9942 51 R 4.1192 7.9074 116.8613 58.0949 30.1120 176.8752 52 L 4.7287 7.8664 116.2765 54.2182 42.6156 176.9309 53 A 4.4508 7.5494 121.3478 52.8661 18.7889 176.9263 54 F 4.9655 8.2431 114.5742 55.4892 41.7736 173.6561 55 D 4.5836 8.8231 119.9916 52.6958 41.2995 175.3612 56 P 5.1874 0.0000 0.0000 64.9712 31.8353 178.5064 57 V 3.6353 7.9486 118.8216 66.0438 31.5094 177.8009 58 R 4.1102 8.2589 117.4733 59.2584 30.1877 178.9281 59 S 4.3656 8.3223 113.5721 59.2704 63.1308 175.1759 60 G 3.9190 8.7782 109.4609 45.7319 0.0000 173.1505 61 V 4.6307 7.6571 111.0234 59.6182 35.6771 176.2178 62 R 4.6970 8.6122 118.6335 56.4506 32.2406 176.6520 63 V 4.9680 7.6590 116.2503 61.3030 34.7394 174.0806 64 K 4.5434 9.1563 126.5054 54.9468 34.9297 175.1483 65 T 5.1189 8.1419 119.5867 62.3181 70.5483 173.3179 66 Y 4.7958 8.5075 121.2137 56.3218 42.5640 174.2379 67 E 4.7164 8.7464 121.1304 53.6280 31.8228 174.9446 68 P 4.5696 0.0000 0.0000 66.0660 31.2621 178.2039 69 E 4.1279 8.2402 116.7166 58.4720 29.5781 177.4017 70 A 4.4325 8.3239 120.9659 52.8643 19.2338 176.7694 71 I 4.7931 7.1496 106.5890 58.1623 40.8544 174.9337 72 W 4.2792 8.7725 131.0809 57.3296 31.1664 175.4784 73 I 3.6524 6.8098 125.0064 57.9366 40.0755 173.4880 74 P 3.0220 0.0000 0.0000 62.6972 31.4817 175.5522 75 E 4.1926 8.1755 120.4439 55.3626 30.5857 174.8778 76 I 4.7410 8.0742 125.8075 59.8981 39.1470 175.6248 77 R 4.7183 8.9402 125.3532 54.2226 33.1767 174.9897 78 F 4.5918 9.1546 123.4126 57.8253 39.1974 175.6608 79 V 3.7651 9.2697 125.6549 65.2978 31.6434 176.8643 80 N 4.9077 7.8901 119.4424 51.9106 35.3607 173.5887 81 V 4.7687 7.2813 112.9077 60.0516 35.7010 176.7995 82 E 4.0608 9.2245 124.8606 59.0356 29.2285 176.6784 83 N 5.0208 7.7894 114.4618 50.3878 42.0565 174.0045 84 A 3.8548 8.5051 122.1487 52.2625 18.7965 178.0076 85 R 4.0594 8.1514 118.1935 56.6121 30.5550 175.4845 86 D 4.8393 9.1089 120.5211 52.8741 42.5466 174.8689 87 A 5.3964 8.6167 127.3364 50.1909 22.3053 174.6367 88 D 4.8719 9.0139 120.9103 52.0117 44.0877 175.8126 89 V 3.6479 8.6631 124.1356 63.8832 31.5112 175.2293 90 V 4.1667 8.8405 128.0730 64.4671 32.8774 175.6713 91 D 4.6968 7.5945 119.0438 52.8732 45.0724 173.5503 92 I 5.1601 8.5715 126.1088 59.6014 40.4046 174.4603 93 S 5.2128 9.2233 121.8003 56.4971 66.7005 173.0358 94 V 4.8959 9.2559 122.6574 61.3969 34.0718 175.3549 95 S 4.8732 8.8971 123.7514 57.0727 64.3272 173.5673 96 P 2.9700 0.0000 0.0000 65.1703 31.0315 177.8624 97 D 4.4824 7.7958 114.7791 53.3204 39.7653 176.9384 98 G 3.8758 8.3622 108.5910 45.8476 0.0000 173.1368 99 T 4.3388 8.0372 117.8442 63.2654 69.5736 173.6233 100 V 4.2503 8.4130 127.4878 61.4145 33.4617 174.3978 101 Q 4.9205 8.9484 127.2846 54.3753 31.0708 173.7704 102 Y 5.1652 9.5596 126.2598 55.6356 42.0291 174.0693 103 L 5.3238 8.8570 127.8848 53.2369 45.4848 174.8575 104 E 5.1020 9.4182 123.5760 54.5523 33.5653 174.3157 105 R 5.0104 8.8256 121.5025 54.7956 32.3916 174.9520 106 F 5.5667 8.9666 120.1965 55.2471 42.2599 173.2188 107 S 5.1851 9.2605 113.3958 56.7804 65.6647 172.4667 108 A 4.7800 8.7549 126.1984 50.9739 23.3009 175.1522 109 R 4.5029 8.3978 120.4341 54.8453 31.8203 175.1556 110 V 4.2025 8.0962 128.0353 62.0035 33.1097 175.0518 111 L 4.2619 8.6549 129.1366 53.9448 41.4432 176.2014 112 S 4.6335 8.4467 118.6131 56.2826 63.8991 171.0048 113 P 4.7505 0.0000 0.0000 62.0339 31.9802 176.0517 114 L 4.1648 8.7136 124.8912 54.3220 41.6555 175.9093 115 D 4.2023 8.5611 123.8042 56.4895 41.9560 178.0440 *122 D 4.6909 7.6581 117.8303 54.3037 43.4172 173.9113 123 S 5.4350 8.6027 112.6304 57.2978 66.3444 172.8067 124 Q 4.6281 9.1692 118.2623 55.4963 32.7374 173.1459 125 T 4.8068 8.2674 114.6394 61.9598 71.1546 174.2646 126 L 4.6383 8.6536 126.9971 53.9186 44.1748 175.4656 127 H 5.2043 9.1163 117.3059 54.1197 32.7943 173.2129 128 I 4.5733 8.5390 122.3648 59.8244 40.1343 173.9906 129 Y 5.2676 8.9756 125.0305 56.3197 40.4692 174.8764 130 L 5.2198 8.9705 123.1050 52.8705 45.7515 175.6386 131 I 5.0500 8.7594 115.8707 58.9638 41.5584 174.1780 132 V 4.9247 8.0471 120.3847 59.6702 34.1044 175.7147 133 R 4.1780 8.7484 122.8585 56.2343 30.4698 177.1209 134 S 4.4483 8.6377 119.2314 58.4774 63.6293 173.9002 135 V 4.6135 7.8803 114.6329 59.5921 35.1882 176.5658 136 D 4.5702 8.5950 121.4318 55.8341 39.8506 177.6551 137 T 4.1288 7.7299 107.9058 62.8166 69.3647 174.2639 138 R 4.5477 7.1705 120.6820 54.4988 34.3495 173.9726 139 N 4.7531 8.5262 117.7726 51.9000 38.9078 173.7407 140 I 4.5708 8.2945 125.3206 59.8425 38.8375 175.3891 141 V 4.4330 8.6943 127.1737 60.9421 34.1980 174.3244 142 L 4.9166 8.4157 127.6431 54.3434 42.7129 175.8918 143 A 4.8475 9.3405 124.2888 50.1912 23.4759 174.4049 144 V 4.6969 8.2892 118.2000 61.2981 33.8503 174.4192 145 D 4.7958 9.0616 128.5994 52.5633 41.6057 176.8663 146 L 4.0708 8.5667 127.3486 57.3621 41.9925 179.6009 147 E 4.1155 8.1796 117.1466 58.3877 29.4976 177.7315 148 K 4.5319 8.3955 117.4751 55.7980 32.5082 175.2805 149 V 4.7386 7.2895 120.0556 61.4108 32.8895 174.9913 150 G 4.4216 8.8466 113.8719 46.1814 0.0000 171.5201 151 K 4.4793 8.0938 117.4361 55.0371 34.8793 176.0816 152 N 4.6872 8.6707 122.0884 57.0525 39.5516 173.9020 153 D 4.5732 7.5257 114.8889 53.2999 41.4451 174.0303 154 D 4.6637 8.6900 117.2202 54.7009 41.5824 175.7529 155 V 4.5987 7.3024 119.2459 60.8711 32.3990 174.8862 156 F 4.4773 8.9228 132.0069 59.7439 39.9760 175.6837 157 L 4.1745 7.1796 117.6683 54.8634 42.5839 173.2848 158 T 4.0271 8.3644 115.8199 67.7557 68.0958 174.0175 159 G 3.9838 8.5619 113.8630 44.8865 0.0000 172.5601 160 W 5.4984 8.6388 119.7020 55.2065 33.5312 174.5391 161 D 5.2665 9.4461 124.4100 53.4881 42.8764 175.3758 162 I 4.6661 8.8762 122.9951 60.5216 37.6804 175.9365 163 E 4.3357 9.6261 128.3955 59.0987 29.9877 177.1365 164 S 4.7174 7.7172 111.5526 57.3373 66.8003 172.9694 165 F 5.8832 8.9255 122.1516 56.2302 41.6275 173.1068 166 T 4.6205 8.2075 115.5676 60.0517 72.6896 172.0259 167 A 4.4626 8.0002 120.9175 50.2658 22.4213 175.8401 168 V 4.2814 7.9874 118.5485 61.0302 35.4661 174.4898 169 V 4.3004 8.3725 127.4045 62.1807 32.0958 175.0318 170 K 4.7568 8.6479 126.6481 53.4381 36.0974 174.0316 171 P 4.1691 0.0000 0.0000 62.8015 31.7255 176.4386 *180 L 4.0872 8.1228 121.6693 55.1130 42.7747 175.7810 181 E 4.7629 7.5713 119.1902 57.6758 32.2517 173.6445 182 S 4.6224 8.0196 112.7604 58.1909 65.0384 175.2742 183 K 4.7819 7.8783 118.5319 55.4310 36.0830 175.1784 184 L 4.9536 9.1460 122.6645 53.5300 44.2174 175.2045 185 D 5.1517 9.0127 123.5859 52.6636 43.0324 174.1051 186 Y 4.3430 9.2149 125.3191 57.4970 39.6057 174.6989 187 Q 4.6839 9.5934 124.8557 54.0658 31.4755 174.4493 188 L 4.6995 8.8241 127.6920 53.4159 43.7063 174.7342 189 R 4.8310 8.6913 128.5255 55.4010 31.3344 175.2178 190 I 5.3158 9.1457 119.8619 59.4180 41.5601 174.2820 191 S 5.3314 9.0030 116.0975 56.9045 66.6381 173.6976 192 R 3.5590 7.8665 119.7642 56.0665 30.5572 176.9466 193 Q 4.1469 8.2285 121.0142 56.2177 28.3382 176.0949 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 4 M 8.30 4.46 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 5 V 7.82 4.20 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 0.91 0.00 0.00 1.04 0.00 0.00 6 S 8.56 4.62 0.00 3.96 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 7 P 0.00 2.97 0.00 1.57 0.93 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 8 P 0.00 4.25 0.00 2.14 2.28 0.00 2.48 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.18 0.00 9 P 0.00 4.22 0.00 2.16 2.05 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 10 P 0.00 4.14 0.00 2.02 2.04 0.00 3.57 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 2.00 2.10 0.00 11 I 8.03 4.44 1.87 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 1.26 0.91 0.00 0.00 12 A 8.26 4.02 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 13 D 9.82 4.85 0.00 2.77 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.49 4.69 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 15 P 0.00 4.49 0.00 2.11 2.25 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 16 L 8.16 4.40 0.00 1.68 1.58 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.21 4.59 4.32 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 1.27 0.00 0.00 18 V 9.12 4.73 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 1.02 0.00 0.00 0.97 0.00 0.00 19 N 9.29 5.38 0.00 2.80 2.80 0.00 0.00 6.12 6.84 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 20 T 8.37 5.76 4.42 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 1.36 0.00 0.00 21 G 8.49 4.99 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 22 I 8.70 5.36 1.83 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.23 1.22 0.00 0.00 23 Y 9.35 5.02 0.00 3.20 3.15 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 24 L 8.44 4.26 0.00 1.31 1.38 0.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.61 4.08 2.03 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.87 0.00 0.00 26 E 7.76 4.72 0.00 1.97 1.68 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 2.09 2.41 0.00 27 C 8.39 5.55 0.00 2.88 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 28 Y 8.73 4.45 0.00 2.95 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 29 S 8.75 3.84 0.00 4.13 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 30 L 7.95 4.12 0.00 1.52 1.57 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.68 4.75 0.00 2.97 2.81 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 32 D 8.58 4.35 0.00 2.71 2.80 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 33 K 8.21 4.26 0.00 1.76 1.86 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 34 A 8.05 3.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.95 4.63 0.00 2.08 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 2.43 0.00 36 T 8.36 5.30 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 1.20 0.00 0.00 37 F 7.86 5.30 0.00 2.90 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 38 K 8.73 4.62 0.00 0.79 1.04 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.07 7.81 39 V 8.57 4.90 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.15 0.00 0.00 40 N 9.56 5.25 0.00 2.84 2.72 0.00 0.00 6.58 9.17 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 41 A 7.76 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.18 5.35 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 43 L 9.30 5.41 0.00 2.15 1.87 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.29 5.53 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.50 5.57 0.00 1.98 1.83 0.59 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.71 5.63 0.00 3.91 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 47 W 7.94 5.40 0.00 3.64 3.45 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 48 K 8.82 4.76 0.00 1.81 1.81 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.49 7.81 49 D 9.25 4.85 0.00 2.93 2.55 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 0.00 0.00 0.00 0.00 50 R 8.72 3.99 0.00 2.03 2.18 0.00 3.01 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 51 R 7.91 4.12 0.00 1.93 2.06 0.00 3.15 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 52 L 7.87 4.73 0.00 1.63 1.74 0.69 0.83 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 53 A 7.55 4.45 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.24 4.97 0.00 3.05 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 55 D 8.82 4.58 0.00 2.73 2.67 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 56 P 0.00 5.19 0.00 2.29 2.36 0.00 3.87 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.82 0.00 57 V 7.95 3.64 2.26 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 0.87 0.00 0.00 0.94 0.00 0.00 58 R 8.26 4.11 0.00 1.86 2.01 0.00 3.28 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 59 S 8.32 4.37 0.00 4.02 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 60 G 8.78 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 61 V 7.66 4.63 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 0.68 0.00 0.00 0.76 0.00 0.00 62 R 8.61 4.70 0.00 1.82 2.00 0.00 3.36 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 63 V 7.66 4.97 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 0.82 0.00 0.00 1.00 0.00 0.00 64 K 9.16 4.54 0.00 1.75 1.38 0.00 1.34 0.00 0.00 1.32 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 0.24 7.81 65 T 8.14 5.12 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 1.23 0.00 0.00 66 Y 8.51 4.80 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.75 4.72 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 68 P 0.00 4.57 0.00 2.34 2.48 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 69 E 8.24 4.13 0.00 2.02 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 0.00 2.35 2.40 0.00 70 A 8.32 4.43 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 0.00 0.00 71 I 7.15 4.79 1.92 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 1.28 0.91 0.55 0.00 0.00 72 W 8.77 4.28 0.00 3.42 3.24 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 0.00 73 I 6.81 3.65 1.48 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.94 0.28 0.00 0.00 74 P 0.00 3.02 0.00 1.72 1.55 0.00 2.20 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 1.22 1.10 0.00 75 E 8.18 4.19 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 76 I 8.07 4.74 1.88 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 1.17 0.74 0.98 0.00 0.00 77 R 8.94 4.72 0.00 1.67 1.83 0.00 3.28 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 78 F 9.15 4.59 0.00 2.65 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 79 V 9.27 3.77 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 80 N 7.89 4.91 0.00 3.05 3.12 0.00 0.00 5.89 7.68 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 81 V 7.28 4.77 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 0.81 0.00 0.00 1.02 0.00 0.00 82 E 9.22 4.06 0.00 1.91 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 2.30 2.28 0.00 83 N 7.79 5.02 0.00 2.67 2.64 0.00 0.00 6.80 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.51 3.85 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 85 R 8.15 4.06 0.00 1.69 1.28 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.40 0.00 86 D 9.11 4.84 0.00 2.77 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 0.00 0.00 0.00 0.00 87 A 8.62 5.40 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 88 D 9.01 4.87 0.00 2.56 2.57 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 89 V 8.66 3.65 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 0.63 0.00 0.00 1.04 0.00 0.00 90 V 8.84 4.17 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 0.79 0.00 0.00 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0.00 130 L 8.97 5.22 0.00 1.56 1.44 -0.43 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.76 5.05 1.87 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 1.44 1.32 0.91 0.00 0.00 132 V 8.05 4.92 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 0.77 0.00 0.00 0.95 0.00 0.00 133 R 8.75 4.18 0.00 1.68 1.90 0.00 3.14 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 134 S 8.64 4.45 0.00 3.86 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 0.00 135 V 7.88 4.61 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 1.05 0.00 0.00 0.89 0.00 0.00 136 D 8.60 4.57 0.00 2.74 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 0.00 137 T 7.73 4.13 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 1.16 0.00 0.00 138 R 7.17 4.55 0.00 1.71 1.69 0.00 3.23 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 139 N 8.53 4.75 0.00 3.04 2.95 0.00 0.00 5.93 7.68 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 0.00 140 I 8.29 4.57 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.97 0.00 0.00 141 V 8.69 4.43 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 0.88 0.00 0.00 0.94 0.00 0.00 142 L 8.42 4.92 0.00 1.61 1.61 0.92 0.68 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 0.00 143 A 9.34 4.85 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.29 4.70 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 0.67 0.00 0.00 0.70 0.00 0.00 145 D 9.06 4.80 0.00 2.80 2.63 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 0.00 146 L 8.57 4.07 0.00 1.76 1.72 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.18 4.12 0.00 2.10 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 0.00 2.38 2.31 0.00 148 K 8.40 4.53 0.00 2.02 1.93 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.64 7.81 149 V 7.29 4.74 2.26 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 0.70 0.00 0.00 1.11 0.00 0.00 150 G 8.85 4.42 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 0.00 151 K 8.09 4.48 0.00 1.54 1.49 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.39 7.81 152 N 8.67 4.69 0.00 2.99 2.91 0.00 0.00 6.96 8.20 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 0.00 153 D 7.53 4.57 0.00 2.80 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 0.00 154 D 8.69 4.66 0.00 2.74 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 0.00 155 V 7.30 4.60 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 0.84 0.00 0.00 0.95 0.00 0.00 156 F 8.92 4.48 0.00 2.86 3.23 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 0.00 157 L 7.18 4.17 0.00 1.65 1.40 0.87 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.36 4.03 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 1.22 0.00 0.00 159 G 8.56 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 0.00 160 W 8.64 5.50 0.00 3.46 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 0.00 161 D 9.45 5.27 0.00 2.63 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 0.00 162 I 8.88 4.67 1.90 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 1.24 0.72 0.93 0.00 0.00 163 E 9.63 4.34 0.00 1.92 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 2.38 2.43 0.00 164 S 7.72 4.72 0.00 3.88 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 0.00 165 F 8.93 5.88 0.00 2.83 2.95 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 0.00 166 T 8.21 4.62 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 1.14 0.00 0.00 167 A 8.00 4.46 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.99 4.28 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 0.91 0.00 0.00 0.85 0.00 0.00 169 V 8.37 4.30 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 0.83 0.00 0.00 0.88 0.00 0.00 170 K 8.65 4.76 0.00 1.75 1.67 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 171 P 0.00 4.17 0.00 2.01 1.97 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 2.01 2.09 0.00 *180 L 8.12 4.09 0.00 1.65 1.64 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 181 E 7.57 4.76 0.00 1.85 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 2.12 2.22 0.00 182 S 8.02 4.62 0.00 3.96 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 0.00 183 K 7.88 4.78 0.00 1.86 1.87 0.00 1.22 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.33 1.52 7.81 184 L 9.15 4.95 0.00 1.65 1.53 1.01 0.90 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 0.00 185 D 9.01 5.15 0.00 2.97 2.57 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 0.00 186 Y 9.21 4.34 0.00 3.06 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 0.00 187 Q 9.59 4.68 0.00 1.76 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 188 L 8.82 4.70 0.00 1.87 1.45 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.69 4.83 0.00 1.93 1.78 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 190 I 9.15 5.32 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 1.06 1.03 0.30 0.00 0.00 191 S 9.00 5.33 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 R 7.87 3.56 0.00 1.47 1.57 0.00 2.90 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 193 Q 8.23 4.15 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.