NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 2.9882 8.1933 116.6759 57.5602 65.2149 172.0856 2 L 4.5420 7.4334 120.5886 54.2228 41.9760 175.3183 3 A 4.7769 9.8939 125.4107 50.6959 23.6364 174.8276 4 V 4.8804 8.1978 112.0144 59.3097 34.4615 176.1569 5 D 4.3888 8.5527 121.4057 56.5020 39.2788 176.9591 6 Q 4.5715 7.9533 116.2432 53.0499 31.0109 176.6130 7 T 4.4264 8.0965 108.2818 64.3104 68.0275 173.7562 8 R 4.9022 7.2091 115.2822 55.6261 32.6948 173.5834 9 Y 4.8030 8.9435 115.6582 56.3108 42.6616 175.0465 10 I 4.9166 8.4781 122.2597 59.5140 39.5732 175.2499 11 F 4.2721 9.8278 134.4175 58.3563 40.3031 175.1533 12 R 4.6453 8.3078 127.5736 55.8521 30.4135 174.3468 13 G 3.7330 9.2642 113.3722 46.1515 0.0000 173.7708 14 D 4.8804 7.9660 118.1259 52.8066 39.7577 175.6288 15 E 4.7815 7.9545 118.3460 55.0353 32.3213 175.9328 16 D 4.6257 8.5832 119.9379 56.5403 41.5211 176.2488 17 A 4.8956 7.3187 117.6755 50.9891 22.3847 175.0655 18 L 4.4520 9.0644 121.6656 53.3455 44.8334 174.9672 19 T 5.0119 8.4586 120.4172 60.3798 68.8935 173.0975 20 I 4.4780 8.7064 129.4858 59.5913 40.7267 174.2997 21 T 4.8147 8.2303 121.2509 60.5063 69.2261 173.5472 22 V 4.5836 9.1690 123.7510 61.1954 33.5351 175.6149 23 T 5.0209 9.3217 120.3333 61.8164 73.0102 172.6879 24 N 5.0766 8.7838 125.9055 52.9301 39.6229 175.9532 25 N 4.6784 9.5450 129.4617 55.4862 38.1611 171.6466 26 D 4.7908 8.4389 118.1467 53.5089 44.2449 181.1325 27 K 4.7721 8.0125 120.9619 52.6293 30.4171 175.3889 28 E 5.3089 7.7081 123.8367 54.7478 31.3752 178.1560 29 R 4.8334 8.1308 123.6675 58.3050 31.7473 177.0664 30 T 3.5384 8.1346 115.7289 64.6053 66.1982 172.0134 31 F 4.5722 8.1982 119.3653 56.1906 40.9917 176.2394 32 G 3.9869 9.6927 112.2484 46.1569 0.0000 172.7452 33 G 3.7614 8.9245 109.5070 43.9508 0.0000 171.4624 34 Q 5.5000 8.9378 123.1995 54.7094 32.9000 173.1559 35 A 5.9400 9.7955 128.2280 49.0688 22.1105 174.9343 36 W 5.3605 8.3093 117.1544 55.2483 32.3309 173.4551 37 V 4.8801 8.5876 120.2487 61.4233 32.9617 174.6503 38 D 5.1328 9.2642 128.1593 53.4445 42.7952 176.1015 39 N 5.1239 8.9047 118.3074 53.3063 39.8341 174.7633 40 I 4.2993 7.3791 117.1950 63.1382 39.0879 177.7522 41 V 3.7449 7.5525 117.5659 65.2775 31.7541 176.0790 42 E 3.8288 8.2858 119.7838 57.9248 29.4169 177.9124 43 K 4.3556 8.7004 124.0977 54.7205 32.3607 172.7057 44 D 5.1042 7.6321 117.5261 52.6035 41.5160 176.6520 45 T 4.1210 8.3067 109.7210 62.7835 69.4422 174.8771 46 R 3.9251 7.6670 124.0656 55.7723 30.3004 174.2993 47 P 4.4904 0.0000 0.0000 63.0286 32.1477 176.3974 48 T 4.1658 8.5196 111.9699 62.4787 70.1918 174.1264 49 F 5.0540 7.9485 119.8259 55.5042 42.9257 174.3936 50 V 4.5240 9.1783 121.3780 61.1803 34.3936 174.3512 51 V 4.9015 8.3908 126.9490 61.8525 33.9103 175.0716 52 T 4.6085 8.1859 120.5002 60.6275 70.7263 170.9153 53 P 4.9274 0.0000 0.0000 63.0529 31.9528 176.3525 54 S 4.8727 9.0188 115.5028 59.4058 65.1747 173.3924 55 F 5.8297 8.2912 122.2289 56.6901 42.1112 173.4268 56 F 4.7503 8.5485 122.2535 56.8817 41.5468 173.2857 57 K 5.0879 8.6936 121.8798 53.3661 35.3666 175.2168 58 V 4.4358 8.6639 124.1278 61.3349 34.3282 175.9842 59 K 4.4647 8.8077 131.3893 54.3169 33.2312 171.0458 60 P 5.0237 0.0000 0.0000 64.7841 31.4345 176.1848 61 N 4.1946 8.6369 118.7602 54.1526 36.8603 174.5310 62 G 4.1342 8.1985 106.9283 45.6383 0.0000 173.1461 63 Q 5.1618 8.3840 117.3393 54.0582 32.8675 174.8173 64 Q 4.6122 9.3711 124.1025 54.4524 32.1675 174.1096 65 T 4.8753 8.4811 116.3878 60.7355 70.8448 173.8202 66 L 4.6001 9.5730 124.2667 52.9240 44.8745 175.2411 67 R 4.7830 8.7223 124.4400 55.0062 31.8500 174.6603 68 I 5.0266 9.0014 128.5451 58.7880 39.7928 173.4140 69 I 5.0132 8.7757 119.5809 61.2383 38.7418 178.6656 *71 A 4.4182 9.0943 121.6710 50.8302 20.2805 176.1035 72 S 4.5037 7.4711 108.6715 56.2041 64.6608 174.4110 73 D 4.7166 8.3250 125.2472 52.7993 40.2945 174.9848 74 H 4.9028 7.4117 110.9562 54.6625 30.2863 173.9951 75 L 4.3730 7.4620 119.2439 53.1433 42.6096 174.8146 76 P 4.2491 0.0000 0.0000 64.1042 31.7025 176.9856 77 K 4.6115 8.5871 121.2660 54.3650 32.2498 176.2529 78 D 4.9580 7.9032 116.3631 53.5160 40.8796 175.6878 79 K 4.5462 7.5368 117.6592 55.0302 35.4829 175.4052 80 E 4.7075 8.2215 119.2602 56.2324 30.8963 175.7901 81 S 4.8082 8.8020 114.5680 56.6739 66.7680 172.8911 82 V 4.5252 7.8925 120.1771 61.5618 33.5278 174.0738 83 Y 4.5373 8.3391 122.0059 56.2095 43.1994 174.1990 84 W 5.4365 8.6890 121.4594 55.2812 30.7874 175.4829 85 L 4.5234 9.2195 129.1454 54.6816 42.8980 175.1639 86 N 4.9573 9.0164 123.9999 51.0984 41.5555 173.6583 87 L 4.9812 8.4468 124.1343 53.5058 45.3535 174.6251 88 Q 5.1903 9.4024 129.5478 54.4820 30.9361 174.8825 89 D 5.2439 8.7015 126.7087 52.7508 41.9157 176.4910 90 I 4.5674 9.1000 119.3073 59.0959 40.3095 173.5466 91 P 3.5053 0.0000 0.0000 61.3878 32.0323 174.9371 92 P 4.2950 0.0000 0.0000 61.6176 32.0871 176.3959 93 A 4.0881 8.1290 122.6377 52.2590 18.8313 177.6694 94 L 4.0694 8.2890 123.6898 54.9912 42.4003 178.2493 95 E 4.2041 8.5512 119.1265 56.3680 29.4541 176.8622 96 G 4.0065 8.4490 117.3238 45.2368 0.0000 171.9529 97 S 4.7230 9.7727 119.5180 56.1450 65.7261 174.8127 98 G 3.7878 7.2820 106.9039 45.3359 0.0000 172.1277 99 I 4.4989 7.8516 122.8074 59.5011 40.7418 174.1328 100 A 4.6074 8.7609 130.4894 50.9974 20.6119 176.7299 101 V 4.2211 8.4146 120.1460 59.0921 32.9211 172.4513 102 A 5.0614 8.6062 127.9715 49.2508 21.3117 174.9404 103 L 4.7730 10.0289 123.8562 52.8761 44.3666 175.3921 104 R 5.0694 8.6490 124.2246 54.8885 31.9032 174.7786 105 T 4.5746 9.0015 121.6322 60.0224 70.0778 172.2847 106 K 4.9627 8.6599 129.6281 54.6185 34.4556 174.9092 107 L 5.1879 9.0983 126.8808 52.6358 46.4657 176.0404 108 K 3.9915 8.8511 121.7981 56.2664 33.3296 175.5347 109 L 4.7652 9.2877 128.9557 53.4296 43.8512 174.9785 110 F 4.9975 9.1382 126.6443 56.8474 40.9003 174.3288 111 Y 5.0585 9.2130 125.4515 56.3982 40.5097 174.1005 112 R 4.5169 8.6048 128.3895 53.6871 31.8832 173.2932 113 P 4.4268 0.0000 0.0000 63.1884 32.6642 178.2567 114 K 3.7635 9.0868 123.2706 57.9881 31.5808 179.8730 115 A 4.0638 8.1001 120.7438 54.5908 18.2245 178.0827 116 L 4.5530 8.0388 113.6734 54.6985 42.4810 178.4769 117 L 3.9818 7.8695 121.7390 58.4753 41.7546 179.2316 118 E 4.1341 8.2442 113.5367 58.6059 30.2624 179.9891 119 G 4.2766 7.2891 108.1598 44.8138 0.0000 171.3189 120 R 3.3963 7.8936 123.8695 55.6847 27.7183 175.3218 121 K 3.6783 7.4947 124.7467 56.9739 31.8972 179.4114 122 G 2.4928 7.4569 113.0575 43.3640 0.0000 173.4006 123 A 3.8355 8.2752 124.3688 54.7674 18.3435 177.3065 124 E 4.2441 7.5585 116.2540 55.5100 30.0444 176.0510 125 E 4.8004 7.9260 119.0030 54.8347 35.5035 172.5380 126 G 4.2091 9.1239 115.1061 47.3798 0.0000 176.3141 127 I 3.7322 8.7130 124.6243 59.6292 35.9314 177.6793 128 S 4.5625 9.3377 123.8922 56.5977 64.4365 172.7861 129 L 4.8820 8.5247 126.4771 54.4008 43.2004 176.0498 130 Q 4.3510 8.8461 124.6675 55.4437 30.4946 172.5386 *139 L 4.3402 7.6240 116.0544 55.0143 43.5047 176.2552 140 V 4.5284 9.1646 124.9675 60.7770 33.7825 173.3284 141 N 4.7543 8.2326 129.1762 53.9670 37.5037 174.3811 142 T 4.6171 8.1185 114.6101 61.3288 69.7481 175.3008 143 T 4.7407 7.8924 111.4018 60.2169 71.5897 171.3118 144 P 4.5562 0.0000 0.0000 62.8441 31.8616 174.8011 145 Y 4.7955 7.5889 116.0169 56.6088 40.6268 174.7938 146 I 4.5272 8.6889 124.0992 60.0718 38.1283 175.4167 147 F 5.1498 8.7900 124.5063 55.8621 41.3871 176.1939 148 A 4.9253 8.5303 123.5208 50.1934 18.8592 173.5659 149 I 4.0455 8.7135 119.4726 60.9677 37.1296 176.4065 150 G 3.8823 8.4866 116.3677 46.4837 0.0000 172.1745 151 S 4.5528 6.9894 113.6159 58.8134 66.7675 172.6738 152 L 4.8601 8.3187 129.3427 57.4639 41.3274 174.0145 *163 D 4.8474 7.5545 115.1808 53.5272 43.4173 177.0530 164 N 5.0277 7.9812 114.4895 52.7286 37.0799 177.3972 165 G 3.7137 9.1099 106.7405 48.4892 0.0000 175.2435 166 T 3.8863 8.2418 116.9335 67.1576 68.4974 175.6553 167 T 3.8769 7.4538 115.8715 67.3222 68.3528 176.4254 168 Q 4.2037 7.9967 120.0947 59.2361 28.7376 179.3636 169 K 4.3050 7.8608 123.8477 59.4275 32.2932 183.3609 170 L 4.2918 8.3230 119.5373 56.9293 41.3462 177.8541 171 L 4.2010 7.6032 118.5345 55.0244 41.7954 176.5351 *173 F 4.7050 7.8768 119.1405 57.5881 40.3750 171.4982 *175 P 4.3381 0.0000 0.0000 63.6800 32.0378 177.3294 176 G 3.9049 8.9615 112.5039 44.9840 0.0000 173.4334 177 D 4.5844 7.3133 119.2022 54.2937 42.4237 175.1659 178 E 5.1682 8.6694 119.6778 54.7627 32.8650 175.3067 179 V 4.5428 8.5323 124.4043 59.7755 33.5860 175.7035 180 Q 4.2039 8.9449 127.0153 56.3105 29.4574 176.3472 181 V 4.4510 8.0486 120.9518 60.3742 35.5032 172.1429 182 K 4.3264 8.6080 118.4043 59.0253 33.6614 174.3907 *185 V 4.2213 6.9956 113.9005 58.7553 33.3956 179.0000 186 V 3.8818 9.1128 125.4906 63.5260 30.7171 171.6888 187 K 5.2962 7.3839 119.9480 53.4917 36.2249 177.5282 188 V 4.5310 8.7103 116.2289 63.1597 35.2239 172.2927 189 D 5.8150 8.6266 125.2835 51.1050 41.8848 174.5345 190 S 4.9003 8.8853 120.6931 56.9587 65.4861 173.4909 191 L 4.7487 8.4427 127.0176 54.1953 41.2589 177.9704 192 N 4.7326 9.1900 123.6560 51.0473 38.4352 175.5959 193 D 4.2617 8.7604 119.7956 57.8282 40.7197 178.0221 *194 Y 4.2883 8.7414 115.6451 56.0699 37.5365 180.6719 195 G 4.1526 8.2379 106.5529 45.9251 0.0000 173.7191 196 E 4.5412 8.2563 121.6739 55.6868 31.9747 176.2253 197 L 4.8843 8.4490 125.1277 54.3672 41.3209 176.1959 198 Q 4.5631 8.7368 124.0826 53.6963 31.7644 175.2685 199 T 4.9801 7.5646 116.8476 62.1751 71.3074 173.7428 200 W 5.1328 9.4212 122.7923 56.1561 34.2787 174.3522 201 T 4.8638 8.6646 118.4091 62.8081 70.5814 175.1514 202 I 4.1895 7.9671 122.5849 61.5873 37.3106 175.8282 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 1 S 8.19 2.99 0.00 3.57 3.69 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 2 L 7.43 4.54 0.00 1.49 1.64 1.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.89 4.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.20 4.88 2.30 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 0.79 0.00 0.00 1.16 0.00 0.00 5 D 8.55 4.39 0.00 2.89 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 6 Q 7.95 4.57 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 7 T 8.10 4.43 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 1.19 0.00 0.00 8 R 7.21 4.90 0.00 2.16 1.99 0.00 3.29 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 9 Y 8.94 4.80 0.00 3.02 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 10 I 8.48 4.92 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.95 0.00 0.00 11 F 9.83 4.27 0.00 3.04 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 12 R 8.31 4.65 0.00 1.54 1.79 0.00 3.31 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.20 0.00 13 G 9.26 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 14 D 7.97 4.88 0.00 2.78 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 15 E 7.95 4.78 0.00 1.75 1.71 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 2.15 2.22 0.00 16 D 8.58 4.63 0.00 2.69 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 17 A 7.32 4.90 1.25 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 0.00 0.00 0.00 18 L 9.06 4.45 0.00 1.06 1.57 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.46 5.01 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 1.18 0.00 0.00 20 I 8.71 4.48 1.68 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.81 0.55 0.00 0.00 21 T 8.23 4.81 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 V 9.17 4.58 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 0.60 0.00 0.00 1.07 0.00 0.00 23 T 9.32 5.02 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 N 8.78 5.08 0.00 2.84 2.74 0.00 0.00 7.49 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 25 N 9.55 4.68 0.00 2.51 2.72 0.00 0.00 6.71 7.34 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 26 D 8.44 4.79 0.00 2.50 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 27 K 8.01 4.77 0.00 1.75 1.64 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 0.97 7.81 28 E 7.71 5.31 0.00 2.03 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 2.08 2.25 0.00 29 R 8.13 4.83 0.00 1.85 1.88 0.00 3.34 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.00 30 T 8.13 3.54 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 1.16 0.00 0.00 31 F 8.20 4.57 0.00 3.05 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 32 G 9.69 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 33 G 8.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.94 5.50 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 35 A 9.80 5.94 1.37 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 0.00 0.00 0.00 36 W 8.31 5.36 0.00 3.43 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 37 V 8.59 4.88 2.22 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 0.93 0.00 0.00 0.94 0.00 0.00 38 D 9.26 5.13 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.90 5.12 0.00 2.83 2.99 0.00 0.00 6.81 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 40 I 7.38 4.30 1.54 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.26 0.84 0.00 0.00 41 V 7.55 3.74 1.98 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 0.77 0.00 0.00 0.82 0.00 0.00 42 E 8.29 3.83 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 43 K 8.70 4.36 0.00 1.77 1.70 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 0.99 7.81 44 D 7.63 5.10 0.00 2.75 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 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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 1.86 2.01 0.00 54 S 9.02 4.87 0.00 4.11 4.47 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 55 F 8.29 5.83 0.00 2.95 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 56 F 8.55 4.75 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.69 5.09 0.00 1.52 1.58 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.96 7.81 58 V 8.66 4.44 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 0.95 0.00 0.00 1.24 0.00 0.00 59 K 8.81 4.46 0.00 1.49 1.69 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.45 1.06 7.81 60 P 0.00 5.02 0.00 2.06 2.17 0.00 3.88 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 61 N 8.64 4.19 0.00 2.90 2.91 0.00 0.00 7.01 8.28 0.00 0.00 0.00 0.00 0.00 0.00 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*71 A 9.09 4.42 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 72 S 7.47 4.50 0.00 3.78 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 73 D 8.33 4.72 0.00 2.50 2.46 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 74 H 7.41 4.90 0.00 3.18 3.22 0.00 5.57 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.46 4.37 0.00 1.29 1.53 0.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.25 0.00 2.23 2.12 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 77 K 8.59 4.61 0.00 1.75 1.67 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 0.96 7.81 78 D 7.90 4.96 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.54 4.55 0.00 1.69 1.64 0.00 1.50 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0.00 0.00 0.00 1.01 1.29 0.00 121 K 7.49 3.68 0.00 1.77 1.67 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.04 7.81 122 G 7.46 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 0.00 0.00 0.00 123 A 8.28 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.56 4.24 0.00 1.17 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 125 E 7.93 4.80 0.00 2.07 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 2.15 2.10 0.00 126 G 9.12 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 0.00 0.00 0.00 0.00 127 I 8.71 3.73 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 1.23 0.72 0.91 0.00 0.00 128 S 9.34 4.56 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.52 4.88 0.00 1.67 1.54 0.94 0.66 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 0.00 130 Q 8.85 4.35 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.31 0.00 0.00 0.00 0.00 0.00 2.18 1.91 0.00 *139 L 7.62 4.34 0.00 1.76 1.88 0.93 0.72 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 0.00 140 V 9.16 4.53 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 1.03 0.00 0.00 0.99 0.00 0.00 141 N 8.23 4.75 0.00 1.54 2.29 0.00 0.00 6.65 7.08 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 0.00 142 T 8.12 4.62 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 1.26 0.00 0.00 143 T 7.89 4.74 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 1.50 0.00 0.00 144 P 0.00 4.56 0.00 1.77 2.25 0.00 3.46 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 145 Y 7.59 4.80 0.00 2.51 2.28 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 0.00 146 I 8.69 4.53 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 1.07 0.00 0.00 147 F 8.79 5.15 0.00 3.21 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 0.00 148 A 8.53 4.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.71 4.05 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 1.01 0.40 0.86 0.00 0.00 150 G 8.49 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 0.00 0.00 0.00 151 S 6.99 4.55 0.00 4.23 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 0.00 152 L 8.32 4.86 0.00 1.86 1.72 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 *163 D 7.55 4.85 0.00 2.67 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 0.00 0.00 0.00 164 N 7.98 5.03 0.00 2.93 1.97 0.00 0.00 7.24 7.27 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 0.00 165 G 9.11 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 0.00 166 T 8.24 3.89 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 1.20 0.00 0.00 167 T 7.45 3.88 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 1.23 0.00 0.00 168 Q 8.00 4.20 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 169 K 7.86 4.30 0.00 1.86 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.09 7.81 170 L 8.32 4.29 0.00 1.81 1.80 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.60 4.20 0.00 1.94 1.79 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *173 F 7.88 4.71 0.00 3.33 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 *175 P 0.00 4.34 0.00 2.00 2.06 0.00 3.60 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 1.79 2.08 0.00 176 G 8.96 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 0.00 177 D 7.31 4.58 0.00 2.03 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 0.00 178 E 8.67 5.17 0.00 1.84 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 2.24 2.28 0.00 179 V 8.53 4.54 2.19 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 0.64 0.00 0.00 0.95 0.00 0.00 180 Q 8.94 4.20 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 181 V 8.05 4.45 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 0.93 0.00 0.00 182 K 8.61 4.33 0.00 1.76 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 0.98 7.81 *185 V 7.00 4.22 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 0.93 0.00 0.00 0.93 0.00 0.00 186 V 9.11 3.88 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 0.59 0.00 0.00 0.93 0.00 0.00 187 K 7.38 5.30 0.00 1.50 1.58 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.97 7.81 188 V 8.71 4.53 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 0.77 0.00 0.00 0.86 0.00 0.00 189 D 8.63 5.82 0.00 2.72 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 0.00 190 S 8.89 4.90 0.00 3.92 4.01 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 0.00 191 L 8.44 4.75 0.00 1.49 1.47 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 192 N 9.19 4.73 0.00 2.99 3.16 0.00 0.00 6.56 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 0.00 193 D 8.76 4.26 0.00 2.61 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 *194 Y 8.74 4.29 0.00 2.28 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 0.00 0.00 0.00 0.00 195 G 8.24 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 0.00 0.00 0.00 0.00 196 E 8.26 4.54 0.00 1.90 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 2.34 2.24 0.00 197 L 8.45 4.88 0.00 1.43 1.50 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 198 Q 8.74 4.56 0.00 2.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 199 T 7.56 4.98 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 1.15 0.00 0.00 200 W 9.42 5.13 0.00 3.07 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 0.00 201 T 8.66 4.86 4.29 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 1.31 0.00 0.00 202 I 7.97 4.19 2.01 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 1.09 0.60 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.