NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 D 4.6727 8.1700 119.5890 54.4261 43.4400 177.2588 37 S 3.9454 8.0138 113.0444 60.8694 62.2217 174.4551 38 A 4.0825 7.9330 123.6031 54.8577 18.5914 178.6747 39 S 4.3418 7.9116 111.3492 60.3580 63.4915 176.6165 40 Q 4.0475 7.8072 122.4912 59.1317 28.4008 178.0367 41 A 4.0374 7.8818 120.2789 55.4528 18.6542 178.6861 42 E 3.9830 8.4958 118.0380 59.1655 29.6903 178.8179 43 Q 3.8675 8.1959 119.1029 59.3582 29.2854 179.5742 44 F 4.7279 8.1437 122.9148 60.8927 39.4306 177.1459 45 L 3.6565 8.0819 118.5913 57.1216 41.4204 179.0387 46 K 3.7707 7.9755 119.2191 59.5566 31.9830 178.3064 47 L 3.7755 7.5479 118.0750 57.8679 41.7235 179.3454 48 V 3.4952 7.1621 108.7746 60.1960 33.2201 175.8268 49 H 4.3048 8.0080 115.6196 55.6791 26.5728 175.4062 50 A 4.2397 7.9080 121.9706 53.3801 19.9486 179.7883 51 D 3.4256 7.3324 115.4399 55.5140 39.3641 178.0505 52 K 4.1535 7.2778 116.5904 56.5389 32.5418 178.2749 53 L 4.0357 7.3624 119.6038 58.0129 41.7108 178.8512 54 T 4.2301 7.8193 108.1222 63.0890 69.2615 176.7425 55 V 3.4140 7.7573 122.7065 66.0066 31.4877 175.8324 56 P 4.2656 0.0000 0.0000 65.8719 30.6158 178.4491 57 V 3.8434 8.5725 116.8063 65.4306 31.4456 177.7766 58 Y 3.9612 8.2707 116.2458 60.9568 37.7606 177.3307 59 A 4.0416 7.8549 120.3987 55.4026 18.7025 179.1469 60 Q 4.0691 8.1904 117.6610 59.5279 28.9764 178.9920 61 V 3.6317 7.1703 110.6559 64.5673 31.7807 178.3399 62 Q 4.2152 8.0676 115.1221 57.3234 28.3148 176.7914 63 Q 4.4323 8.0045 121.4031 56.1676 29.7684 177.3159 *65 L 4.0878 7.8532 118.1523 54.4659 43.4878 179.0161 66 A 4.3260 8.1475 119.6884 55.7568 18.2105 179.3892 67 Q 4.0197 7.8622 117.1978 58.7836 28.4354 177.9395 68 R 4.2803 7.8067 117.9183 57.5030 30.5938 177.6576 69 F 4.2545 9.5679 119.0989 59.3823 39.5739 175.1550 70 A 4.7314 7.2807 116.8261 51.2786 20.0830 177.1340 71 Q 3.9865 7.9172 114.2080 57.6065 29.3098 175.7410 72 A 4.6780 6.9590 121.5310 49.6164 21.5936 174.9615 73 K 3.6865 8.4409 117.8910 57.1535 32.4943 178.0024 74 A 4.1077 8.0485 130.9193 49.8924 17.7332 174.0931 75 P 4.6194 0.0000 0.0000 61.7832 33.2100 176.8638 76 E 4.7357 8.6669 116.2190 55.8339 30.4362 175.8134 77 S 4.6867 8.2013 110.1325 58.4261 64.6193 174.5297 78 K 4.5540 7.9790 120.1264 56.4211 32.1967 177.9736 79 K 3.6300 8.2568 121.2109 59.7042 31.7950 178.6512 80 A 3.9668 7.9704 120.2855 55.2484 17.7699 179.9082 81 V 3.8954 7.6938 110.5415 64.1450 31.3944 178.5753 82 L 3.8617 7.3597 119.1872 58.0586 42.1924 178.4050 83 E 4.0880 7.7786 118.4242 59.2584 29.2918 179.1982 84 R 3.9289 8.4144 118.2269 58.6768 30.4476 176.4536 85 Y 4.3459 7.7404 113.2918 58.3838 38.4436 176.9555 86 Q 4.2340 7.8393 118.5836 57.3778 29.3640 177.5368 87 A 4.0884 7.8879 121.4461 54.3611 18.5637 179.7550 88 K 3.9576 7.8976 116.8200 59.6503 32.2859 179.0883 89 A 4.1790 7.5839 119.3557 54.0230 18.1856 179.3393 90 N 4.2090 7.8468 115.1640 56.3023 38.3560 177.1955 91 A 4.4810 7.5862 121.1700 53.3778 18.0170 179.2019 92 E 3.8698 7.9669 118.2358 59.2783 29.1127 178.8543 93 L 3.7908 7.3716 117.6494 57.8506 41.5534 179.0793 94 D 5.1218 8.1263 118.7844 57.5453 40.4472 179.3047 95 R 4.0480 7.6648 117.0723 58.3258 30.1146 177.2968 96 A 4.5552 7.2995 119.7919 53.3268 20.0511 178.3777 97 I 4.7149 8.9005 108.2542 60.3160 38.3064 176.1381 98 G 4.0238 8.1566 108.4716 45.6489 0.0000 174.8507 99 W 4.5926 9.0114 129.6384 60.6105 30.5289 177.8733 100 D 4.1577 8.1515 117.6252 55.8518 38.6231 177.7440 101 K 4.3252 7.7893 118.0340 56.9057 33.0460 177.5948 102 I 4.2156 7.3146 119.0895 63.4574 38.1913 177.4822 103 K 3.5103 7.5863 120.8360 59.2588 31.8014 175.6361 104 P 4.0798 0.0000 0.0000 66.6887 30.6442 176.9844 105 E 4.0855 8.1277 119.5545 56.5826 29.9481 177.6723 106 L 4.4901 7.8603 119.4487 58.1460 43.1115 177.7929 107 I 3.8260 7.9439 120.0340 64.5665 37.0557 178.0297 108 K 3.8984 8.0994 119.6106 59.6435 32.1533 178.4001 109 L 4.0302 7.8480 120.4123 58.3258 41.9139 178.5654 110 Y 4.0518 7.9894 116.5898 61.0879 37.7751 177.9641 111 T 4.0474 8.1107 109.9362 64.9334 68.9808 176.5042 112 T 4.0042 8.2797 118.4100 65.9571 68.6115 175.2555 113 N 4.6801 7.7906 114.3398 52.1770 39.9067 174.8290 114 F 4.9165 7.8561 118.7321 54.9234 43.1950 175.3378 115 T 4.3339 9.2846 115.1685 60.8281 70.9861 175.4729 116 E 3.9361 8.7409 121.5121 59.8472 29.5340 178.8846 117 S 4.1551 8.0531 112.3560 61.2875 62.4049 175.8348 118 E 4.0177 8.0704 121.4529 59.4505 29.2343 179.1369 119 L 3.8023 7.8341 118.6172 57.7314 41.6781 179.4587 120 K 3.8832 8.4276 118.7522 60.0497 32.0154 178.8723 121 D 4.6268 8.0584 118.4133 56.7999 40.8330 178.8859 122 L 4.1733 8.2592 119.9513 58.1017 41.8298 179.0948 123 N 4.5133 8.7486 116.5375 56.5670 38.2700 177.2982 124 A 4.0633 8.3053 121.3893 55.1706 18.6721 179.1711 125 F 4.0708 8.6606 119.7473 61.6149 39.3935 176.7776 126 Y 4.1266 8.5243 115.6798 59.9034 37.7820 177.8800 127 Q 4.1738 7.9013 119.1167 57.3045 29.3976 176.6900 128 S 4.3105 7.4620 114.8344 57.0935 63.8975 173.5428 129 P 4.2188 0.0000 0.0000 65.4274 30.9512 178.7484 130 L 4.0200 7.8941 119.4692 57.5793 41.7976 179.2196 131 G 2.9142 7.4501 106.1043 47.3130 0.0000 175.9488 132 K 4.0415 7.6910 119.4701 58.6452 32.5455 178.9948 133 K 4.0241 7.7689 119.7898 59.4555 32.2006 178.7327 134 V 3.6118 7.6844 118.3621 66.0833 31.3083 177.5365 135 L 4.1269 7.9606 115.8418 56.5369 41.9501 176.5841 136 E 4.5319 8.5689 116.9806 56.4331 32.2329 176.1709 137 K 4.3210 7.7933 120.5301 55.1668 31.5555 175.5876 *139 P 4.2952 0.0000 0.0000 62.5695 34.0485 179.3657 140 R 3.8605 8.0857 117.0544 59.8147 29.6005 178.1208 141 L 3.9981 8.4740 120.3838 58.3048 42.0257 179.0015 142 T 3.9206 7.9087 109.1243 64.6950 68.7969 176.2383 143 A 4.0721 8.4299 123.9257 54.6897 18.3799 179.5376 144 E 3.9359 8.3877 117.5540 59.7368 29.5187 179.6531 145 S 4.1612 7.9738 114.9939 61.2568 62.7469 176.4845 146 A 3.9458 7.8279 123.4378 55.4037 18.3353 179.2469 147 Q 3.8523 8.0198 117.7633 59.3805 29.0285 178.9080 148 L 4.1224 7.9310 121.1237 58.0719 42.1867 178.8807 149 T 3.8245 8.0766 115.7606 66.7753 68.4851 176.1951 150 Q 3.9124 8.3117 121.3633 59.3937 28.6968 178.4031 151 A 3.9451 7.3796 119.0686 55.5086 17.7658 179.6803 152 K 4.0296 8.0371 115.8895 58.9549 31.7975 179.4052 153 L 3.8521 8.2316 120.6963 58.4526 42.3553 178.5534 154 Q 4.2501 7.9901 118.2134 58.9795 28.4327 180.4669 155 G 3.8606 7.1105 103.7757 46.4683 0.0000 173.7116 156 A 4.6576 8.7565 119.0136 50.7312 21.8989 179.3670 157 V 3.6503 7.9524 110.9876 64.5257 31.5348 178.1349 158 E 3.9205 8.1337 117.7468 58.9170 29.4605 177.1595 159 P 4.1916 0.0000 0.0000 65.9941 31.1806 178.7401 160 V 3.6070 7.7072 115.9106 65.8936 31.5402 177.2201 161 N 4.3323 8.2136 115.5367 56.6056 38.7797 176.4294 162 K 4.0092 8.4127 120.7013 59.7859 31.9968 178.5642 163 L 3.8598 7.2058 114.7647 56.5295 42.0821 178.1111 *165 A 4.3642 7.8973 121.9598 52.1722 20.4951 179.2130 166 D 4.4865 8.4138 117.5475 54.6845 41.9069 178.7791 *168 D 4.7190 8.3226 119.0256 54.6024 42.7183 179.7481 169 K 4.1562 7.3451 117.8552 55.9402 32.2859 176.8814 170 E 4.2367 10.1811 123.6757 56.9163 30.6802 175.2546 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 36 D 8.17 4.67 0.00 2.74 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 37 S 8.01 3.95 0.00 4.03 3.87 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 38 A 7.93 4.08 1.34 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 39 S 7.91 4.34 0.00 4.08 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 40 Q 7.81 4.05 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 41 A 7.88 4.04 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 42 E 8.50 3.98 0.00 2.33 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 2.35 2.33 0.00 43 Q 8.20 3.87 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 44 F 8.14 4.73 0.00 3.02 3.01 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 45 L 8.08 3.66 0.00 2.03 1.87 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.98 3.77 0.00 1.85 1.94 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 47 L 7.55 3.78 0.00 1.65 1.57 1.01 0.82 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 48 V 7.16 3.50 1.55 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 -0.52 0.00 0.00 0.09 0.00 0.00 49 H 8.01 4.30 0.00 3.12 3.09 0.00 5.62 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 50 A 7.91 4.24 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 51 D 7.33 3.43 0.00 1.82 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.28 4.15 0.00 1.76 1.72 0.00 1.49 0.00 0.00 1.36 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 L 7.36 4.04 0.00 1.65 1.78 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.82 4.23 4.44 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 1.33 0.00 0.00 55 V 7.76 3.41 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 0.98 0.00 0.00 0.80 0.00 0.00 56 P 0.00 4.27 0.00 2.22 2.13 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 57 V 8.57 3.84 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 1.07 0.00 0.00 1.05 0.00 0.00 58 Y 8.27 3.96 0.00 3.11 3.01 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 59 A 7.85 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.07 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 61 V 7.17 3.63 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 0.83 0.00 0.00 0.94 0.00 0.00 62 Q 8.07 4.22 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.51 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 63 Q 8.00 4.43 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.39 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 *65 L 7.85 4.09 0.00 1.83 1.75 0.99 0.86 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 66 A 8.15 4.33 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 67 Q 7.86 4.02 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 68 R 7.81 4.28 0.00 1.96 1.95 0.00 3.32 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 69 F 9.57 4.25 0.00 3.03 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 70 A 7.28 4.73 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 71 Q 7.92 3.99 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 72 A 6.96 4.68 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 73 K 8.44 3.69 0.00 1.63 1.64 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.41 7.81 74 A 8.05 4.11 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 75 P 0.00 4.62 0.00 2.24 2.11 0.00 3.38 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 76 E 8.67 4.74 0.00 1.93 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 2.20 2.30 0.00 77 S 8.20 4.69 0.00 4.01 3.95 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 78 K 7.98 4.55 0.00 2.14 2.13 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.52 7.81 79 K 8.26 3.63 0.00 1.78 1.82 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.58 7.81 80 A 7.97 3.97 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 81 V 7.69 3.90 2.24 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 0.97 0.00 0.00 1.23 0.00 0.00 82 L 7.36 3.86 0.00 0.48 1.32 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.78 4.09 0.00 2.13 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 2.26 2.38 0.00 84 R 8.41 3.93 0.00 1.84 1.95 0.00 3.18 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 1.52 1.55 0.00 85 Y 7.74 4.35 0.00 3.38 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 86 Q 7.84 4.23 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 87 A 7.89 4.09 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 88 K 7.90 3.96 0.00 1.95 1.84 0.00 1.33 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.36 7.81 89 A 7.58 4.18 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 90 N 7.85 4.21 0.00 3.08 2.93 0.00 0.00 6.74 7.41 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 91 A 7.59 4.48 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 92 E 7.97 3.87 0.00 2.24 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 0.00 2.28 2.36 0.00 93 L 7.37 3.79 0.00 1.31 1.34 0.10 0.90 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 94 D 8.13 5.12 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.66 4.05 0.00 1.96 2.00 0.00 3.14 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 96 A 7.30 4.56 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 97 I 8.90 4.71 2.01 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 1.26 1.05 0.97 0.00 0.00 98 G 8.16 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 99 W 9.01 4.59 0.00 3.28 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 0.00 100 D 8.15 4.16 0.00 2.78 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 0.00 101 K 7.79 4.33 0.00 1.98 1.92 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.78 7.81 102 I 7.31 4.22 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 1.05 0.00 0.00 103 K 7.59 3.51 0.00 0.79 0.98 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.00 1.08 7.81 104 P 0.00 4.08 0.00 2.24 2.16 0.00 3.39 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 105 E 8.13 4.09 0.00 1.95 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 2.33 2.32 0.00 106 L 7.86 4.49 0.00 1.99 1.86 1.10 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.94 3.83 1.98 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 1.46 0.60 0.95 0.00 0.00 108 K 8.10 3.90 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.45 7.81 109 L 7.85 4.03 0.00 1.79 1.65 0.86 0.89 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 0.00 110 Y 7.99 4.05 0.00 3.12 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 0.00 111 T 8.11 4.05 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 1.34 0.00 0.00 112 T 8.28 4.00 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 1.18 0.00 0.00 113 N 7.79 4.68 0.00 2.75 2.48 0.00 0.00 6.84 7.21 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 0.00 114 F 7.86 4.92 0.00 3.07 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 0.00 115 T 9.28 4.33 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 0.00 116 E 8.74 3.94 0.00 2.08 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 0.00 2.41 2.41 0.00 117 S 8.05 4.16 0.00 3.95 3.87 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 0.00 118 E 8.07 4.02 0.00 2.36 2.25 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 2.43 2.42 0.00 119 L 7.83 3.80 0.00 1.87 1.67 0.99 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.43 3.88 0.00 1.90 1.92 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.54 7.81 121 D 8.06 4.63 0.00 2.86 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 0.00 122 L 8.26 4.17 0.00 1.80 2.19 0.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.75 4.51 0.00 3.15 2.96 0.00 0.00 6.99 7.65 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 0.00 124 A 8.31 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.66 4.07 0.00 3.02 3.01 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 0.00 126 Y 8.52 4.13 0.00 2.98 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 0.00 127 Q 7.90 4.17 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 128 S 7.46 4.31 0.00 3.82 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 0.00 129 P 0.00 4.22 0.00 2.11 2.09 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 130 L 7.89 4.02 0.00 1.65 1.38 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.45 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 0.00 0.00 0.00 132 K 7.69 4.04 0.00 1.69 1.85 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.60 7.81 133 K 7.77 4.02 0.00 1.88 1.92 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 134 V 7.68 3.61 2.35 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 1.12 0.00 0.00 1.10 0.00 0.00 135 L 7.96 4.13 0.00 2.05 1.95 0.82 1.08 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 0.00 136 E 8.57 4.53 0.00 1.99 2.11 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 2.20 2.22 0.00 137 K 7.79 4.32 0.00 1.89 1.77 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.57 7.81 *139 P 0.00 4.30 0.00 2.21 2.13 0.00 3.64 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 2.01 2.09 0.00 140 R 8.09 3.86 0.00 1.87 2.07 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 141 L 8.47 4.00 0.00 1.98 1.66 0.93 0.78 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 0.00 142 T 7.91 3.92 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 1.24 0.00 0.00 143 A 8.43 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.94 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 145 S 7.97 4.16 0.00 3.82 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 0.00 146 A 7.83 3.95 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 0.00 147 Q 8.02 3.85 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 148 L 7.93 4.12 0.00 1.87 1.88 0.93 0.58 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 0.00 149 T 8.08 3.82 4.35 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 1.22 0.00 0.00 150 Q 8.31 3.91 0.00 2.11 2.20 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 2.37 2.41 0.00 151 A 7.38 3.95 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 0.00 152 K 8.04 4.03 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 153 L 8.23 3.85 0.00 1.68 1.85 0.92 0.96 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 0.00 154 Q 7.99 4.25 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 155 G 7.11 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 0.00 0.00 0.00 156 A 8.76 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 0.00 157 V 7.95 3.65 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 0.85 0.00 0.00 1.00 0.00 0.00 158 E 8.13 3.92 0.00 2.01 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 2.40 2.40 0.00 159 P 0.00 4.19 0.00 2.15 2.14 0.00 3.49 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 2.13 2.18 0.00 160 V 7.71 3.61 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 161 N 8.21 4.33 0.00 2.86 2.90 0.00 0.00 6.99 7.55 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 0.00 162 K 8.41 4.01 0.00 1.79 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.51 7.81 163 L 7.21 3.86 0.00 1.79 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *165 A 7.90 4.36 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 0.00 166 D 8.41 4.49 0.00 2.85 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 *168 D 8.32 4.72 0.00 2.93 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 0.00 169 K 7.35 4.16 0.00 1.69 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.58 7.81 170 E 10.18 4.24 0.00 1.91 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 2.24 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.