NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4940 8.1576 122.0518 55.6404 33.7242 174.5352 3 H 5.0956 7.6978 116.1075 53.9229 32.1459 170.1884 4 T 4.7393 9.1070 114.1648 60.2831 71.8850 173.3725 5 V 4.7594 8.1725 122.1755 61.0385 33.7269 174.2809 6 E 4.6358 8.9642 127.7260 54.3568 31.9488 175.6919 7 V 3.6553 8.1726 123.6508 63.7310 31.4794 174.6353 8 M 4.4699 8.9322 127.3783 56.4551 34.4897 175.9227 9 I 4.6610 7.3698 119.3901 59.1275 40.9081 175.8110 10 S 4.5053 9.2838 122.5629 57.5587 64.0072 174.7820 11 E 4.1853 8.9477 123.1657 59.1694 29.1069 179.3201 12 Q 4.0162 8.0394 117.2042 58.8935 28.8992 178.1456 13 E 4.0463 8.2936 119.6650 59.4845 29.4862 179.5953 14 V 3.8570 8.1224 117.9771 66.1230 31.6785 177.6514 15 A 4.0466 8.2305 120.5820 55.3986 18.1825 179.3748 16 Q 3.9318 8.3515 117.8850 59.3989 29.0909 178.4502 17 R 3.8513 8.2370 119.6977 59.5253 29.9887 178.5385 18 I 3.8290 8.1531 119.8038 64.3689 37.1079 178.3636 19 R 3.8841 8.1709 119.6208 59.3687 29.8888 178.5030 20 E 3.9709 8.1657 118.4395 59.3428 29.4921 179.2528 21 L 4.0424 8.2732 119.4516 57.8142 41.6366 179.8712 22 G 3.5911 8.2410 107.2373 47.0437 0.0000 175.5032 23 Q 3.9386 8.0827 121.8129 59.1989 29.0378 178.4715 24 Q 4.0618 8.0991 118.9955 59.0636 28.7430 178.8292 25 I 3.0466 7.7996 121.1977 64.2892 36.7392 178.6616 26 T 3.8389 7.7651 115.9548 66.4952 68.7292 175.9693 27 E 4.0742 8.1987 121.1540 59.5889 29.4765 178.1694 28 H 4.0743 8.2741 117.0578 59.1643 30.1011 175.8792 29 Y 4.5908 7.6722 116.1840 56.6778 38.1068 175.1010 30 Q 4.0895 7.3174 121.3670 57.8721 29.4073 177.5143 31 G 3.9784 8.9024 112.0294 45.5810 0.0000 173.4955 32 S 4.3253 8.0421 115.7395 57.9387 62.8296 174.1977 33 S 4.3447 8.7678 122.7980 60.8115 63.4322 173.8282 34 D 4.7765 7.6183 120.0452 51.9564 41.7740 173.5766 35 L 4.6386 7.9582 124.1219 54.0337 44.2114 175.1940 36 V 4.8406 8.6000 125.3696 59.8951 34.5426 174.3454 37 L 4.7327 8.7028 125.9491 53.6215 43.4409 175.8265 38 V 4.5529 8.8723 124.0438 61.1095 34.0753 174.4906 39 G 4.7501 8.1070 115.4041 43.7997 0.0000 171.9084 40 L 5.2367 8.4464 122.3268 53.3225 43.1765 176.4153 41 L 4.4805 8.8719 124.8118 54.5465 42.2814 177.6396 42 R 4.1960 8.7218 119.4289 58.0176 30.9986 179.1748 43 G 4.1412 8.5815 106.7139 47.9167 0.0000 174.6746 44 S 4.8547 8.1328 112.9293 58.4932 63.9692 176.0595 45 F 4.5237 8.3826 118.5247 60.1270 37.5880 177.7554 46 V 3.1283 6.7616 118.2076 65.5042 31.3916 177.3987 47 F 4.3855 8.1884 119.9544 61.7128 39.1125 176.3369 48 M 3.7181 8.5326 117.7769 58.6344 31.4955 177.9919 49 A 4.0087 8.0449 120.6054 55.3691 18.3762 179.3927 50 D 4.3207 7.9154 116.0112 57.3228 41.1280 178.5494 51 L 3.9022 8.0788 120.9675 58.1093 41.9441 178.8016 52 A 3.8993 7.9832 120.7658 55.2059 18.0677 179.3966 53 R 4.0932 7.5508 113.5569 57.9005 29.9609 177.8653 54 Q 4.5206 8.0018 117.4230 54.3642 29.0527 174.3878 55 I 4.4095 6.7561 122.2061 60.1206 38.6958 176.4964 56 H 4.9533 8.4999 126.6480 54.9300 28.2388 174.6190 57 L 4.8816 7.2132 117.3418 52.7593 45.9823 177.3546 58 T 3.9677 8.4189 118.7275 64.1611 68.7966 173.3245 59 H 4.9882 8.2174 120.2270 54.8576 31.9973 172.1512 60 Q 4.6926 8.8100 117.2310 54.2210 31.7146 175.1286 61 V 4.6951 8.0239 119.7398 61.4228 34.7258 173.8126 62 D 4.7515 8.4424 125.2405 53.3246 45.4033 173.3355 63 F 5.4549 8.4941 117.9776 56.2830 43.2627 174.1276 64 M 5.1489 9.2913 119.5570 53.9986 36.6757 174.6443 65 T 4.8582 9.1903 118.0491 61.9463 71.3451 173.2189 66 A 5.1474 8.6083 128.4467 50.2010 21.0452 176.6781 67 S 4.2077 9.0302 115.2900 58.5753 64.1825 174.8666 68 S 4.3196 8.4818 117.3685 57.5053 60.5481 173.5038 *77 R 4.4042 8.2962 122.7793 55.6788 31.9805 176.4240 78 D 4.3392 8.0032 115.4778 54.7010 41.2458 176.6008 79 V 4.0152 8.2227 122.3485 62.0994 31.6656 175.2759 80 R 4.6931 8.9823 126.9219 54.5875 33.3669 175.9389 81 I 4.6178 8.1563 122.3285 60.2702 37.0198 175.6136 82 L 4.2454 8.7905 129.0173 56.7342 42.6721 177.9305 83 K 4.4797 7.7947 119.8776 54.8190 35.2564 175.9146 84 D 4.9154 8.7505 126.9851 52.5410 42.5912 175.4076 85 L 4.4526 8.2263 121.3279 55.3963 42.0205 177.3924 86 D 4.5923 8.8823 120.5731 55.5108 41.4738 176.7040 87 D 5.0614 8.2602 117.5129 51.9860 43.7363 175.6217 88 D 4.6048 8.4108 120.7751 54.4810 41.6509 176.5756 89 I 4.4434 8.0370 113.4638 60.0905 38.4595 175.1249 90 K 4.4229 7.4355 122.0615 57.4811 32.3533 177.0203 91 G 3.9213 8.8938 113.6356 45.7947 0.0000 173.2834 92 K 4.5934 7.8170 119.1940 54.7328 35.2480 175.2796 93 D 4.9434 8.8728 122.8321 53.7346 42.1169 175.6897 94 V 4.6543 8.8516 124.6668 60.8530 34.2533 174.0424 95 L 5.1187 8.8009 130.2440 53.1647 44.2365 175.1499 96 L 4.7033 9.1722 128.2518 54.5450 43.2273 176.3649 97 V 4.8858 9.3226 123.7495 61.1034 34.4162 173.8361 98 E 5.1068 9.0628 127.9408 54.4991 32.9202 176.1508 99 D 4.4474 8.9689 125.2651 56.2580 40.8235 175.8569 100 I 4.9926 7.5723 116.7000 59.2393 41.4422 173.7879 101 I 4.1852 8.5421 129.1239 60.1859 39.1376 173.8086 102 D 4.9146 8.9617 125.7114 54.6022 42.6562 177.9478 103 T 4.5665 8.2594 111.3809 61.3474 69.8331 177.3016 104 G 4.0404 8.2968 109.0246 45.9684 0.0000 174.8206 105 N 4.2929 8.0978 117.8019 56.7462 38.5846 177.1561 106 T 3.9110 7.8503 116.2465 66.6733 68.5864 176.2463 107 L 3.9768 7.9127 121.6135 58.1401 42.1716 178.0662 108 N 4.2551 8.4528 117.2673 56.9555 38.8197 176.9848 109 K 4.0405 7.8485 119.7169 59.2909 32.0612 179.5608 110 V 3.6266 7.9070 118.6589 65.7430 31.3867 177.9742 111 K 3.9219 8.3408 119.5802 59.6950 31.8669 178.6078 112 E 4.0134 8.0198 117.4186 59.3886 29.5056 179.1896 113 I 3.8741 8.2337 120.2189 64.5162 37.1761 178.5813 114 L 4.0038 8.2792 119.8112 57.6172 41.4210 179.3223 115 A 4.0125 8.5118 121.1876 55.0572 18.0107 179.5107 116 L 4.0517 7.5476 116.6678 57.2783 41.9990 178.7707 117 R 4.2028 8.1288 116.9640 55.1969 31.0148 175.6360 118 E 3.7722 8.3721 118.4087 56.5989 27.1948 172.4939 119 P 4.9399 0.0000 0.0000 62.4892 32.5077 176.5571 120 K 4.2966 8.6691 121.8556 59.6094 32.5760 176.9399 121 S 4.8145 7.8049 111.8210 57.3426 66.3691 173.4322 122 I 5.1913 8.3172 120.9269 59.8670 40.3569 174.9253 123 R 4.9009 9.2724 124.4349 54.5119 34.9152 174.1326 124 I 5.2083 8.2971 119.8379 59.8370 41.1821 174.2246 125 C 5.5059 9.3448 125.6755 58.1499 35.1201 172.5058 126 T 5.1542 9.1343 118.2567 60.5965 70.6977 174.3239 127 L 3.4123 8.1096 129.6841 57.4620 43.1493 176.5672 128 L 5.3912 7.9714 117.8123 52.8767 45.6448 175.1091 129 D 5.0441 9.0008 120.6051 52.7891 44.7670 174.7108 130 K 4.7899 9.1324 126.5368 53.1531 31.5360 175.1098 131 P 4.3300 0.0000 0.0000 65.2706 31.8480 179.5306 132 T 3.9960 7.8421 107.9945 63.7385 69.0535 175.0245 133 R 4.2759 7.8809 120.6049 56.0823 30.6749 176.2761 134 R 4.6980 7.4658 118.6046 56.1000 30.4605 175.8094 135 E 4.6156 9.1631 123.2863 56.2145 32.0061 176.3472 136 V 4.4394 7.4252 109.4618 59.0293 35.3367 174.5413 137 D 4.5757 8.5474 121.5030 53.4489 40.8955 175.9974 138 V 4.3712 8.0898 125.9894 59.6047 33.8269 174.5468 139 E 4.1501 8.7734 125.4644 54.9682 30.2531 175.2840 140 V 4.2494 8.0559 125.7710 60.9128 32.8852 174.3069 141 N 4.1509 8.6794 127.2536 55.3720 39.6619 174.9260 142 W 4.9235 8.1625 119.1597 54.7352 32.3966 174.9108 143 V 4.5623 8.5249 124.7419 61.0249 32.8538 175.0329 144 G 3.5849 9.4008 117.1819 48.6167 0.0000 173.0954 145 F 4.9436 9.0780 118.8680 54.8395 43.5037 172.8611 146 E 5.0243 8.9972 124.8750 55.2412 30.3710 175.1186 147 I 4.9149 8.8986 120.1775 58.1378 41.5988 173.2652 148 P 4.4080 0.0000 0.0000 62.4955 32.4604 176.5278 149 D 4.5567 8.2202 118.4010 53.6728 39.2920 175.0686 150 E 4.3776 7.3656 119.9159 54.9029 31.8732 177.2287 151 F 4.4262 8.4429 119.5366 57.9218 38.8891 174.8565 152 V 4.9265 8.2439 116.5921 60.0750 34.2084 175.3524 153 V 4.5384 8.6587 115.1726 60.4864 36.9248 174.9439 154 G 4.2340 8.9022 106.9579 46.6957 0.0000 173.2523 155 V 3.1779 9.2231 116.7489 63.7312 30.5378 173.2514 156 G 4.0965 8.3427 107.9277 46.6336 0.0000 173.7061 157 I 4.0723 7.9617 121.7677 60.6031 37.8159 175.0666 158 D 5.4480 8.5350 124.1756 51.7992 41.8583 174.8906 159 Y 4.5744 8.7514 120.3992 56.6831 40.9103 175.3637 160 A 3.6267 9.0097 130.9758 53.3072 16.0825 177.7060 161 Q 3.7066 8.7860 117.2459 57.2241 28.1143 174.5955 162 K 4.1490 7.5367 117.8624 56.3019 33.7698 177.1003 163 Y 3.8534 8.1996 115.5274 58.3423 35.5726 171.7651 164 R 4.1240 7.8861 119.9130 59.1748 30.2830 177.5490 165 H 4.6882 7.8715 110.6226 55.5772 29.4697 175.4406 166 L 3.9572 7.4681 122.1624 54.3876 41.5035 175.8717 167 P 4.5282 0.0000 0.0000 63.3961 32.4079 174.5874 168 Y 4.7710 6.8233 117.1533 55.1080 41.9377 174.4870 169 I 4.4044 8.4460 121.2541 60.7405 38.3338 175.8440 170 G 4.5282 9.2513 114.9492 44.4372 0.0000 171.6942 171 K 5.0784 9.0375 122.7580 54.1595 34.4777 175.4206 172 V 3.9654 8.7392 128.9489 62.7549 32.2880 175.3900 173 V 4.3805 8.9066 128.2267 59.9996 33.8761 172.7094 174 P 4.6196 0.0000 0.0000 63.7710 31.5287 175.9331 175 L 4.6141 8.9845 123.5172 53.6014 44.6413 176.5898 176 A 4.1556 7.4814 121.5383 51.7515 18.5524 177.0000 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 2 K 8.16 4.49 0.00 1.91 1.70 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.63 7.81 3 H 7.70 5.10 0.00 3.17 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.11 4.74 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 1.19 0.00 0.00 5 V 8.17 4.76 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 0.77 0.00 0.00 0.29 0.00 0.00 6 E 8.96 4.64 0.00 1.90 1.77 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 2.20 2.19 0.00 7 V 8.17 3.66 1.84 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 0.42 0.00 0.00 0.24 0.00 0.00 8 M 8.93 4.47 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 9 I 7.37 4.66 1.53 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.35 0.17 0.00 0.00 10 S 9.28 4.51 0.00 3.95 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 11 E 8.95 4.19 0.00 2.16 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 2.43 2.34 0.00 12 Q 8.04 4.02 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 13 E 8.29 4.05 0.00 2.17 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 2.38 2.34 0.00 14 V 8.12 3.86 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 1.19 0.00 0.00 0.86 0.00 0.00 15 A 8.23 4.05 1.38 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 0.00 0.00 16 Q 8.35 3.93 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 17 R 8.24 3.85 0.00 1.90 2.07 0.00 3.17 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.41 0.00 18 I 8.15 3.83 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.92 0.96 0.00 0.00 19 R 8.17 3.88 0.00 2.01 2.10 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 20 E 8.17 3.97 0.00 2.22 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 0.00 2.33 2.45 0.00 21 L 8.27 4.04 0.00 1.83 1.65 1.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.24 3.59 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 0.00 0.00 0.00 23 Q 8.08 3.94 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 24 Q 8.10 4.06 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 25 I 7.80 3.05 1.50 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 26 T 7.77 3.84 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 27 E 8.20 4.07 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 2.34 2.39 0.00 28 H 8.27 4.07 0.00 3.47 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.67 4.59 0.00 3.14 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 30 Q 7.32 4.09 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 31 G 8.90 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 32 S 8.04 4.33 0.00 4.00 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 0.00 33 S 8.77 4.34 0.00 4.02 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 34 D 7.62 4.78 0.00 2.68 2.56 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 35 L 7.96 4.64 0.00 1.51 1.37 -0.09 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.60 4.84 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 0.84 0.00 0.00 0.89 0.00 0.00 37 L 8.70 4.73 0.00 1.44 1.45 0.69 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.87 4.55 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 0.95 0.00 0.00 0.86 0.00 0.00 39 G 8.11 4.75 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 0.00 0.00 0.00 40 L 8.45 5.24 0.00 1.76 1.69 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.87 4.48 0.00 1.53 1.56 0.49 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.72 4.20 0.00 1.91 2.00 0.00 3.09 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 43 G 8.58 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 44 S 8.13 4.85 0.00 4.25 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.38 4.52 0.00 3.24 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 46 V 6.76 3.13 1.84 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 0.89 0.00 0.00 -0.08 0.00 0.00 47 F 8.19 4.39 0.00 3.05 3.25 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 48 M 8.53 3.72 0.00 2.54 2.17 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 49 A 8.04 4.01 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 50 D 7.92 4.32 0.00 2.71 2.79 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 51 L 8.08 3.90 0.00 1.06 1.18 0.74 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.98 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.55 4.09 0.00 2.05 1.99 0.00 3.15 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 54 Q 8.00 4.52 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 55 I 6.76 4.41 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.49 0.73 0.00 0.00 56 H 8.50 4.95 0.00 3.14 3.26 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.21 4.88 0.00 1.57 1.52 1.06 1.02 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 58 T 8.42 3.97 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 1.18 0.00 0.00 59 H 8.22 4.99 0.00 3.16 3.12 0.00 5.49 0.00 0.00 0.00 0.00 6.76 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0.00 0.00 0.00 68 S 8.48 4.32 0.00 3.92 3.84 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 *77 R 8.30 4.40 0.00 1.87 2.02 0.00 3.45 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 78 D 8.00 4.34 0.00 2.67 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 79 V 8.22 4.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 80 R 8.98 4.69 0.00 1.74 1.80 0.00 3.17 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 81 I 8.16 4.62 1.88 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 1.36 0.54 0.91 0.00 0.00 82 L 8.79 4.25 0.00 1.54 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.79 4.48 0.00 1.82 1.62 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 84 D 8.75 4.92 0.00 2.69 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 85 L 8.23 4.45 0.00 1.66 1.80 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.88 4.59 0.00 2.71 2.73 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 87 D 8.26 5.06 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.41 4.60 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 89 I 8.04 4.44 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.89 0.00 0.00 90 K 7.44 4.42 0.00 1.74 1.76 0.00 1.70 0.00 0.00 2.37 0.00 0.00 2.96 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.69 7.81 91 G 8.89 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 92 K 7.82 4.59 0.00 1.86 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 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0.00 1.93 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.60 7.81 110 V 7.91 3.63 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 1.01 0.00 0.00 111 K 8.34 3.92 0.00 1.97 1.96 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 112 E 8.02 4.01 0.00 2.14 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 2.36 2.60 0.00 113 I 8.23 3.87 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.92 0.00 0.00 114 L 8.28 4.00 0.00 1.69 1.73 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.51 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.55 4.05 0.00 1.72 1.76 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.13 4.20 0.00 1.93 1.95 0.00 3.28 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 118 E 8.37 3.77 0.00 2.20 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 2.23 2.39 0.00 119 P 0.00 4.94 0.00 2.43 2.07 0.00 3.91 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 2.01 1.97 0.00 120 K 8.67 4.30 0.00 1.89 2.14 0.00 2.07 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.42 7.81 121 S 7.80 4.81 0.00 3.99 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 0.00 122 I 8.32 5.19 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.95 0.00 0.00 123 R 9.27 4.90 0.00 2.07 1.95 0.00 2.98 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 124 I 8.30 5.21 1.93 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 1.29 1.18 1.00 0.00 0.00 125 C 9.34 5.51 0.00 3.25 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.13 5.15 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 0.00 127 L 8.11 3.41 0.00 0.27 1.33 0.91 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.97 5.39 0.00 1.60 1.51 0.88 0.69 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 0.00 129 D 9.00 5.04 0.00 2.72 2.47 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 0.00 130 K 9.13 4.79 0.00 1.71 1.69 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.18 7.81 131 P 0.00 4.33 0.00 2.21 2.30 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 132 T 7.84 4.00 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 0.00 133 R 7.88 4.28 0.00 2.02 1.97 0.00 3.26 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 134 R 7.47 4.70 0.00 1.86 1.83 0.00 3.09 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 135 E 9.16 4.62 0.00 2.01 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 2.22 2.41 0.00 136 V 7.43 4.44 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 0.71 0.00 0.00 0.96 0.00 0.00 137 D 8.55 4.58 0.00 2.61 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 0.00 138 V 8.09 4.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 139 E 8.77 4.15 0.00 1.91 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 2.17 2.22 0.00 140 V 8.06 4.25 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 1.02 0.00 0.00 0.99 0.00 0.00 141 N 8.68 4.15 0.00 2.20 1.63 0.00 0.00 7.02 7.95 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 0.00 142 W 8.16 4.92 0.00 3.40 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 0.00 143 V 8.52 4.56 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 0.80 0.00 0.00 0.95 0.00 0.00 144 G 9.40 3.58 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 0.00 0.00 0.00 145 F 9.08 4.94 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 0.00 146 E 9.00 5.02 0.00 1.99 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 2.26 2.31 0.00 147 I 8.90 4.91 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.93 0.00 0.00 148 P 0.00 4.41 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 149 D 8.22 4.56 0.00 2.60 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 0.00 150 E 7.37 4.38 0.00 1.97 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 2.37 2.24 0.00 151 F 8.44 4.43 0.00 2.94 2.88 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 0.00 152 V 8.24 4.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 153 V 8.66 4.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.78 0.00 0.00 154 G 8.90 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 0.00 0.00 0.00 0.00 155 V 9.22 3.18 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 0.75 0.00 0.00 0.88 0.00 0.00 156 G 8.34 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.96 4.07 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.61 1.01 0.00 0.00 158 D 8.53 5.45 0.00 2.86 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 0.00 159 Y 8.75 4.57 0.00 3.00 3.06 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 0.00 160 A 9.01 3.63 0.79 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 0.00 161 Q 8.79 3.71 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 162 K 7.54 4.15 0.00 0.79 1.06 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.32 7.81 163 Y 8.20 3.85 0.00 3.24 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 0.00 164 R 7.89 4.12 0.00 1.99 2.12 0.00 3.25 0.00 0.00 3.67 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.70 0.00 165 H 7.87 4.69 0.00 3.27 3.48 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.47 3.96 0.00 1.60 0.87 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.53 0.00 2.28 2.31 0.00 3.45 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.04 0.00 168 Y 6.82 4.77 0.00 3.22 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 0.00 169 I 8.45 4.40 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.77 0.83 0.00 0.00 170 G 9.25 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 9.04 5.08 0.00 1.77 1.63 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.35 7.81 172 V 8.74 3.97 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 0.13 0.00 0.00 0.58 0.00 0.00 173 V 8.91 4.38 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 1.01 0.00 0.00 1.03 0.00 0.00 174 P 0.00 4.62 0.00 2.10 2.03 0.00 3.77 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 1.99 2.02 0.00 175 L 8.98 4.61 0.00 1.46 1.65 0.98 0.86 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 0.00 176 A 7.48 4.16 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 * Residues marked with a * may have inaccurate shift predictions.