NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.4702 8.1233 122.4710 52.1416 20.3321 175.5528 1 M 5.2257 8.6972 120.6416 53.2740 36.3715 173.3023 2 R 4.7402 9.4561 119.2508 54.6916 35.4012 173.7937 3 I 4.9282 8.4392 122.4329 59.5137 41.1021 174.2456 4 G 4.5222 8.7550 113.6681 45.2647 0.0000 170.7648 5 H 5.5122 8.7427 119.1226 54.3204 33.1124 172.5738 6 G 4.3413 8.8966 110.9352 44.7183 0.0000 171.1030 7 F 5.4000 8.5278 122.5593 56.7260 42.4438 172.9046 8 D 4.6233 8.5013 124.6159 52.7583 45.2933 173.8823 9 V 4.5953 7.8511 121.4155 61.5975 34.6879 173.9204 10 H 5.0026 8.8759 123.5254 53.7687 32.9072 172.5251 11 A 4.6616 8.3894 123.1146 51.2387 20.0249 176.9445 12 F 4.8441 8.9296 121.4032 57.8175 39.6245 175.1553 13 G 3.9084 9.3629 108.0826 47.0587 0.0000 174.9576 14 G 4.0521 8.1687 110.6359 44.6042 0.0000 172.3774 15 E 4.8065 8.2649 116.9421 55.3447 31.5890 177.7275 16 G 4.3732 8.1726 109.2625 44.6084 0.0000 171.0789 17 P 4.9790 0.0000 0.0000 62.5685 32.8321 175.4755 18 I 4.5337 8.4913 113.1971 59.6033 40.2510 174.5564 19 I 4.9512 8.1357 124.0545 59.7953 39.6479 174.9399 20 I 4.6312 8.2762 127.4043 60.6676 40.7095 175.6500 21 G 4.0720 9.9956 113.4616 46.6481 0.0000 174.4990 22 G 3.8799 8.8571 105.1519 45.3767 0.0000 174.0029 23 V 4.5320 7.7395 120.1465 60.5411 34.0512 174.9674 24 R 4.4644 8.8267 127.4424 56.4394 30.7867 175.8893 25 I 4.3441 8.9091 126.0192 58.6610 39.5628 173.7446 26 P 4.8453 0.0000 0.0000 63.0374 32.1787 175.0496 27 Y 4.8859 8.3900 122.1478 56.5527 41.6363 174.3792 28 E 3.8913 8.0520 124.6821 58.7514 30.4166 176.7195 29 K 4.6741 7.4057 116.0156 54.6683 35.3242 176.5221 30 G 4.2988 8.4618 110.0074 44.4706 0.0000 171.8108 31 L 5.2900 8.2449 118.8840 52.5650 44.0159 177.0712 32 L 4.2784 9.4459 125.1806 54.9162 42.2294 176.3220 33 A 4.3416 8.0864 123.9434 52.2149 21.8999 175.9508 34 H 4.5405 8.9334 119.1261 58.9032 31.0013 176.2475 35 S 4.5711 7.7143 119.7247 58.5136 62.5847 174.3459 36 D 4.4366 8.7981 119.6585 53.0134 39.6962 177.0201 37 G 3.5320 7.8225 107.1297 46.7710 0.0000 174.8992 38 D 4.7281 7.9525 121.6324 52.9566 40.1860 176.5291 39 V 3.9243 8.2981 127.5949 64.8534 31.6372 177.3047 40 A 3.8872 7.8913 120.1489 55.2614 18.3855 179.4920 41 L 3.9178 8.2032 117.4675 58.0329 41.5251 179.5384 42 H 4.2482 8.3708 116.1245 58.9656 28.7122 177.7087 43 A 3.9552 7.9534 122.5135 54.9030 18.1856 179.3639 44 L 3.8484 8.1791 119.0976 58.7321 42.2060 179.4041 45 T 3.9481 8.3267 116.0137 66.8675 68.3822 176.4870 46 D 4.3964 8.5454 120.8025 57.0476 40.7196 178.7224 47 A 4.1258 8.0457 121.6093 55.0408 18.3955 179.7085 48 L 3.9441 7.9834 117.4794 58.0678 41.7572 179.7882 49 L 4.1595 8.2007 119.0667 57.6487 41.6160 179.9073 50 G 3.5765 8.3389 105.6543 47.6674 0.0000 175.5852 51 A 4.3464 8.2089 123.4920 54.1524 18.5058 178.8140 52 A 3.6280 7.5687 115.2376 51.2968 19.0614 176.9011 53 A 3.7086 7.4429 118.9949 53.3350 16.7494 177.7999 54 L 4.5617 8.4543 117.3051 55.6600 43.3850 177.1616 55 G 3.9956 9.4515 109.5591 44.2039 0.0000 176.9415 56 D 4.6121 8.3515 124.7802 50.8030 42.6115 175.2742 57 I 3.5509 9.4516 115.2314 64.1220 37.1242 178.2500 58 G 3.9057 8.1286 106.0513 47.5608 0.0000 175.0067 59 K 4.0574 8.5166 120.8700 59.2193 32.4365 178.7295 60 L 3.9608 7.5169 117.8568 56.2901 42.7707 177.6277 61 F 5.0698 8.4139 116.5503 54.4902 39.2117 171.9789 62 P 4.2439 0.0000 0.0000 63.2399 31.8445 177.4339 63 D 4.2646 8.8285 124.5454 57.7098 40.7207 178.7333 64 T 3.9006 7.5666 107.8881 64.9993 69.1340 175.1375 65 D 4.3245 8.0865 123.4564 55.9712 41.4799 177.3850 *72 D 4.4148 7.6945 117.4244 53.0497 41.7935 176.6386 73 S 4.0880 8.9524 117.4256 61.8077 62.8532 176.8465 74 R 3.8438 8.0152 120.9414 59.6545 29.6725 177.9669 75 E 3.8714 8.8626 119.2776 59.0499 29.5332 178.6010 76 L 3.4157 7.6879 119.0494 57.4711 41.5690 179.2305 77 L 4.0253 8.4039 120.4385 58.3281 42.0049 179.2604 78 R 4.0608 8.1969 118.0658 59.4785 30.0225 178.9996 79 E 4.0101 8.9206 118.4793 59.1844 29.3281 179.2503 80 A 4.2013 8.6371 121.3556 54.9855 18.4425 179.4856 81 W 4.5228 8.7680 127.2222 60.7747 30.7596 177.9459 82 R 3.8827 8.2939 118.2734 59.7450 29.3717 179.0852 83 R 3.9328 7.7788 115.8734 59.3284 30.4255 178.9757 84 I 3.9318 8.0020 119.7137 64.6182 37.0581 178.6128 85 Q 3.9250 8.5168 120.4660 58.0914 28.1598 178.4982 86 A 3.9159 7.9349 121.5554 54.7551 18.4004 178.8329 87 K 4.2331 7.6002 114.4268 56.5011 32.4026 177.8995 88 G 3.7640 8.0325 108.4063 45.2301 0.0000 173.6064 89 Y 4.5776 7.2718 117.2165 57.6947 39.0660 174.0451 90 T 4.8658 8.9718 116.7489 59.8759 71.5600 172.6604 91 L 4.1887 9.1684 127.2468 55.5680 42.3539 175.5146 92 G 4.1128 9.1174 112.6620 46.6569 0.0000 173.8540 93 N 5.1306 7.4512 114.5050 51.4348 41.3574 172.7509 94 V 5.0170 8.6357 111.0089 59.8285 36.3761 174.6062 95 D 5.4754 8.9150 121.5253 51.9912 45.1785 174.2243 96 V 4.8855 8.3442 123.4813 61.4851 35.6478 174.2010 97 T 4.9558 9.1448 123.1810 61.9179 72.0012 172.9193 98 I 4.3347 8.7556 128.9364 60.5140 38.9843 175.2319 99 I 4.9117 8.7401 128.0121 59.9030 39.4481 174.6127 100 A 4.6399 8.2910 126.4833 51.1499 21.9948 176.2477 101 Q 3.9466 9.0105 123.2888 58.7668 29.6426 175.6514 102 A 4.1759 7.1229 116.5393 50.7392 21.4262 173.6973 103 P 4.4008 0.0000 0.0000 61.3441 32.6245 176.1363 104 K 4.0875 8.3594 118.1392 57.0125 32.3888 177.6931 105 M 4.3775 8.5443 122.5111 56.9377 32.4876 178.3085 106 L 3.9376 7.9315 118.8755 57.7021 41.5437 177.7202 107 P 4.2637 0.0000 0.0000 65.1901 31.5192 177.4675 108 H 4.6823 8.2186 114.1528 56.7130 29.1639 177.3614 109 I 3.7038 7.3107 121.1574 63.8898 36.7792 176.3335 110 P 4.1878 0.0000 0.0000 65.6463 31.1893 178.3954 111 Q 3.6657 7.8992 117.8128 59.2911 28.9282 177.9838 112 M 4.4625 7.6450 120.7094 57.8364 31.9207 178.9403 113 R 3.8708 7.9211 118.3195 59.0771 30.1460 179.1288 114 V 3.4889 7.3238 118.0642 66.0921 31.5434 177.9700 115 F 4.5908 7.8578 117.3189 60.8790 38.7351 177.7960 116 I 3.7102 8.1261 119.1765 64.2524 36.8100 178.2585 117 A 3.9311 8.4254 122.0114 55.1616 18.1931 179.2150 118 E 3.9351 8.4702 117.3337 60.1253 29.4436 179.6864 119 D 4.4613 7.9938 116.8399 56.5424 40.9431 177.8117 120 L 4.0146 7.8835 117.0964 53.1343 42.1576 176.4718 121 G 4.0229 8.0561 107.2580 46.8756 0.0000 172.9021 122 C 4.9498 8.1172 113.4141 55.7498 32.9526 172.4185 123 H 4.4795 8.3983 118.5451 55.2540 30.4809 175.2795 124 M 3.9511 8.6459 125.2103 58.9144 31.9753 177.1834 125 D 4.5638 8.2683 115.0778 55.4322 41.8074 175.8510 126 E 4.4581 8.5501 118.0239 56.8019 29.9087 175.0490 127 V 4.8351 7.7068 119.5186 60.9820 33.9157 174.2458 128 N 5.1612 8.9944 125.7935 51.8343 42.4138 173.0560 129 V 4.8280 8.2397 122.8909 61.2994 34.8956 174.2771 130 K 4.8648 9.0673 124.9264 54.5703 36.6868 174.8204 131 A 5.2281 8.5127 122.6496 50.6238 21.9075 175.6002 132 T 4.6318 8.8666 114.7784 60.7796 71.2840 172.5227 133 T 4.9378 8.5262 122.0516 60.4428 69.7091 173.7873 134 T 4.3464 8.3265 115.7556 60.8864 69.3769 174.6023 135 E 3.7118 9.0203 119.3458 58.0774 27.3009 175.2935 136 K 4.3748 8.3968 113.9383 57.0174 31.3628 174.6915 137 L 4.5123 7.9746 117.7034 54.2802 43.6220 177.4552 138 G 4.0869 8.5140 109.5745 45.0061 0.0000 174.1743 139 F 4.5209 8.3415 113.0833 59.8731 37.7952 177.6284 140 T 4.3393 6.3277 111.6593 64.0279 68.9376 176.7829 141 G 3.7597 7.9217 108.7256 47.4806 0.0000 174.9006 142 R 4.4763 8.0363 117.2431 55.4043 30.2704 176.7420 143 G 4.1255 8.0108 106.7238 46.8242 0.0000 175.2748 144 E 4.3863 8.8472 122.4856 58.4829 30.0984 176.6775 145 G 4.2439 7.7465 105.1811 45.0591 0.0000 171.2089 146 I 4.7142 7.9637 118.7881 59.2993 40.7074 175.1433 147 A 5.1378 8.6136 126.2785 50.4457 22.6442 174.6429 148 C 5.1136 8.8566 118.7437 57.9160 35.7024 172.7358 149 E 5.4562 9.3088 123.4453 54.7660 33.0930 174.7919 150 A 5.1519 8.9579 122.6613 50.6551 23.3383 175.5467 151 V 5.0444 9.0437 112.3586 59.6826 36.1102 174.7902 152 A 5.1499 8.7799 123.3977 50.3009 23.1937 174.7156 153 L 5.1503 8.7933 122.0103 53.2654 44.9839 175.3092 154 L 5.4335 9.2323 126.4012 53.1194 45.1302 175.1778 155 M 5.2111 9.1922 119.4967 53.4254 34.3164 175.6533 156 K 4.3545 8.9711 122.3380 56.6167 32.0185 175.7794 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 0 A 8.12 4.47 1.31 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 0.00 0.00 0.00 1 M 8.70 5.23 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 2 R 9.46 4.74 0.00 1.55 1.81 0.00 3.31 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 3 I 8.44 4.93 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 1.29 1.47 0.92 0.00 0.00 4 G 8.76 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.74 5.51 0.00 3.12 3.13 0.00 5.68 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 6 G 8.90 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.53 5.40 0.00 2.99 2.94 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 8 D 8.50 4.62 0.00 2.67 2.43 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 9 V 7.85 4.60 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.88 0.00 0.00 10 H 8.88 5.00 0.00 2.99 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.39 4.66 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 12 F 8.93 4.84 0.00 3.10 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 13 G 9.36 3.91 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 0.00 0.00 0.00 14 G 8.17 4.05 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 0.00 0.00 0.00 15 E 8.26 4.81 0.00 1.91 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 2.35 2.25 0.00 16 G 8.17 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 0.00 0.00 0.00 0.00 17 P 0.00 4.98 0.00 2.14 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 18 I 8.49 4.53 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 1.18 0.00 0.00 19 I 8.14 4.95 1.83 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 1.34 0.72 0.96 0.00 0.00 20 I 8.28 4.63 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 1.19 0.68 0.89 0.00 0.00 21 G 10.00 4.07 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 0.00 0.00 0.00 22 G 8.86 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 23 V 7.74 4.53 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 1.01 0.00 0.00 1.10 0.00 0.00 24 R 8.83 4.46 0.00 1.76 1.89 0.00 3.22 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 25 I 8.91 4.34 1.83 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 0.84 0.88 0.85 0.00 0.00 26 P 0.00 4.85 0.00 1.99 2.01 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 27 Y 8.39 4.89 0.00 2.97 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 28 E 8.05 3.89 0.00 1.74 1.26 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 2.12 2.18 0.00 29 K 7.41 4.67 0.00 1.33 1.71 0.00 1.51 0.00 0.00 1.16 0.00 0.00 2.57 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.17 7.81 30 G 8.46 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 0.00 0.00 0.00 0.00 31 L 8.24 5.29 0.00 1.47 1.49 0.81 0.25 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 32 L 9.45 4.28 0.00 1.50 1.62 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.09 4.34 1.07 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 0.00 0.00 34 H 8.93 4.54 0.00 3.12 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.71 4.57 0.00 4.04 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 36 D 8.80 4.44 0.00 2.73 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 37 G 7.82 3.53 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 38 D 7.95 4.73 0.00 2.76 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.92 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 1.17 0.00 0.00 1.00 0.00 0.00 40 A 7.89 3.89 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 41 L 8.20 3.92 0.00 1.66 1.72 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.37 4.25 0.00 3.38 3.32 0.00 5.64 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 43 A 7.95 3.96 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.18 3.85 0.00 1.84 1.83 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.33 3.95 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 1.39 0.00 0.00 46 D 8.55 4.40 0.00 2.69 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 47 A 8.05 4.13 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 48 L 7.98 3.94 0.00 1.93 1.88 0.79 0.35 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 49 L 8.20 4.16 0.00 1.70 1.70 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.34 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 51 A 8.21 4.35 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 52 A 7.57 3.63 1.19 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 53 A 7.44 3.71 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.45 4.56 0.00 1.59 1.67 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.45 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 0.00 0.00 0.00 56 D 8.35 4.61 0.00 3.05 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 57 I 9.45 3.55 2.07 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 1.81 0.80 1.12 0.00 0.00 58 G 8.13 3.91 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 0.00 0.00 0.00 59 K 8.52 4.06 0.00 1.65 1.89 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.43 7.81 60 L 7.52 3.96 0.00 0.77 0.13 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.41 5.07 0.00 2.93 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 62 P 0.00 4.24 0.00 2.25 2.02 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 63 D 8.83 4.26 0.00 2.61 2.66 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 0.00 0.00 0.00 64 T 7.57 3.90 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 1.19 0.00 0.00 65 D 8.09 4.32 0.00 2.66 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 *72 D 7.69 4.41 0.00 3.00 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 73 S 8.95 4.09 0.00 3.93 3.91 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 74 R 8.02 3.84 0.00 1.78 1.89 0.00 3.04 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 75 E 8.86 3.87 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 76 L 7.69 3.42 0.00 1.88 1.58 0.95 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.40 4.03 0.00 1.80 1.90 0.91 1.01 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 78 R 8.20 4.06 0.00 2.09 2.01 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 79 E 8.92 4.01 0.00 1.98 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 0.00 2.32 2.44 0.00 80 A 8.64 4.20 1.63 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 81 W 8.77 4.52 0.00 3.48 3.29 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 82 R 8.29 3.88 0.00 2.15 1.99 0.00 3.21 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 83 R 7.78 3.93 0.00 1.96 2.02 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 84 I 8.00 3.93 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 1.01 0.00 0.00 85 Q 8.52 3.92 0.00 1.70 1.79 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 1.16 1.16 0.00 86 A 7.93 3.92 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 87 K 7.60 4.23 0.00 2.10 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.46 1.66 7.81 88 G 8.03 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 89 Y 7.27 4.58 0.00 3.12 2.90 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 90 T 8.97 4.87 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 1.40 0.00 0.00 91 L 9.17 4.19 0.00 1.72 1.64 0.65 0.85 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 92 G 9.12 4.11 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 0.00 0.00 0.00 93 N 7.45 5.13 0.00 2.88 2.91 0.00 0.00 5.76 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 94 V 8.64 5.02 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 0.60 0.00 0.00 0.86 0.00 0.00 95 D 8.91 5.48 0.00 2.74 2.43 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 96 V 8.34 4.89 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 1.00 0.00 0.00 0.91 0.00 0.00 97 T 9.14 4.96 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 1.22 0.00 0.00 98 I 8.76 4.33 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.88 0.00 0.00 99 I 8.74 4.91 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.86 0.00 0.00 100 A 8.29 4.64 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.01 3.95 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 102 A 7.12 4.18 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 0.00 103 P 0.00 4.40 0.00 2.10 1.78 0.00 3.47 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 104 K 8.36 4.09 0.00 1.77 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 105 M 8.54 4.38 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 106 L 7.93 3.94 0.00 1.65 1.71 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.26 0.00 1.56 1.97 0.00 3.55 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 1.90 2.09 0.00 108 H 8.22 4.68 0.00 3.22 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.31 3.70 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.95 0.00 0.00 110 P 0.00 4.19 0.00 2.08 2.05 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 111 Q 7.90 3.67 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.19 1.75 0.00 112 M 7.64 4.46 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.63 0.00 113 R 7.92 3.87 0.00 1.98 1.94 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 114 V 7.32 3.49 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 1.03 0.00 0.00 0.86 0.00 0.00 115 F 7.86 4.59 0.00 3.24 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 0.00 116 I 8.13 3.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.83 0.00 0.00 117 A 8.43 3.93 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.47 3.94 0.00 2.33 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 0.00 2.39 2.65 0.00 119 D 7.99 4.46 0.00 2.77 2.71 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 0.00 120 L 7.88 4.01 0.00 1.34 1.01 0.59 0.01 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 0.00 121 G 8.06 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 0.00 0.00 0.00 122 C 8.12 4.95 0.00 3.23 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 0.00 123 H 8.40 4.48 0.00 3.27 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.65 3.95 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 125 D 8.27 4.56 0.00 2.65 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 0.00 126 E 8.55 4.46 0.00 2.13 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 0.00 2.27 2.25 0.00 127 V 7.71 4.84 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 0.71 0.00 0.00 0.87 0.00 0.00 128 N 8.99 5.16 0.00 2.85 2.76 0.00 0.00 6.17 7.47 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 0.00 129 V 8.24 4.83 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 0.86 0.00 0.00 0.91 0.00 0.00 130 K 9.07 4.86 0.00 1.70 1.62 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 131 A 8.51 5.23 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.87 4.63 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 1.25 0.00 0.00 133 T 8.53 4.94 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 1.24 0.00 0.00 134 T 8.33 4.35 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 1.13 0.00 0.00 135 E 9.02 3.71 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 136 K 8.40 4.37 0.00 1.88 1.94 0.00 1.62 0.00 0.00 2.37 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.48 7.81 137 L 7.97 4.51 0.00 1.80 1.53 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.51 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 0.00 0.00 0.00 139 F 8.34 4.52 0.00 3.44 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 0.00 140 T 6.33 4.34 4.12 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 0.00 0.00 0.87 0.00 0.00 141 G 7.92 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 0.00 142 R 8.04 4.48 0.00 1.91 2.05 0.00 3.33 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 143 G 8.01 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 0.00 144 E 8.85 4.39 0.00 2.49 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 0.00 2.43 2.39 0.00 145 G 7.75 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 0.00 0.00 0.00 0.00 146 I 7.96 4.71 1.64 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.87 0.00 0.00 147 A 8.61 5.14 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 0.00 148 C 8.86 5.11 0.00 2.82 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 0.00 149 E 9.31 5.46 0.00 2.00 1.91 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 2.74 2.47 0.00 150 A 8.96 5.15 1.19 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 0.00 151 V 9.04 5.04 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 0.83 0.00 0.00 0.94 0.00 0.00 152 A 8.78 5.15 1.16 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 0.00 0.00 153 L 8.79 5.15 0.00 1.76 1.51 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 154 L 9.23 5.43 0.00 1.52 1.64 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 155 M 9.19 5.21 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 156 K 8.97 4.35 0.00 1.68 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.