NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 S 4.3532 8.3301 115.4128 57.6396 64.3467 173.1955 38 A 4.3073 8.0774 125.7955 52.1612 18.7316 176.1335 39 R 4.7058 9.9229 122.8098 53.9906 34.0089 176.0396 40 V 3.7824 8.9235 119.2344 65.7407 31.5237 178.0042 41 S 4.3611 8.0689 112.7388 60.1614 63.1707 174.3093 42 D 4.5730 8.2633 120.2107 54.5793 41.2503 175.5825 43 Y 4.6023 7.3793 120.3165 55.3410 40.3217 173.7840 44 P 2.9700 0.0000 0.0000 61.4371 33.0528 177.4821 45 L 3.7074 8.2228 122.5295 58.0424 41.4661 179.5699 46 A 3.9386 7.8214 118.5513 54.7859 18.1667 178.5744 47 N 4.4650 7.4959 113.0555 55.3735 39.5351 177.3774 48 K 3.9157 8.2456 119.0087 58.4169 33.9090 177.5343 49 H 4.7760 7.2817 113.7131 51.6427 28.9854 172.1705 50 P 4.2087 0.0000 0.0000 65.5499 32.0873 179.1057 51 E 4.1227 8.2448 115.1365 58.6321 29.5831 178.6965 52 W 4.3400 8.5138 119.2063 58.4491 29.1988 176.3707 53 V 4.2958 7.9129 118.7686 60.8239 30.3178 174.4724 54 K 4.8607 8.0279 124.0200 54.1806 36.2581 176.5836 55 T 4.2634 8.5749 111.8326 60.9726 69.6438 175.2526 56 A 4.2788 8.4941 122.3033 53.8021 18.1721 178.0336 57 T 4.4206 7.7046 111.4789 62.7521 68.8917 174.0382 58 N 4.2640 8.0405 117.0930 54.1687 36.8541 174.4424 59 K 4.4619 7.8582 116.8757 55.8949 33.5165 176.3927 60 T 5.0048 9.6278 119.0931 61.3150 71.2043 175.4700 61 L 4.2508 8.7383 122.9847 58.3451 41.4138 178.9324 62 D 4.5758 8.1636 117.5662 56.8888 41.0649 177.5325 63 D 4.4791 8.3566 117.5636 55.7117 41.2693 176.9854 64 F 4.4312 7.6351 120.4572 56.3906 37.5939 175.3395 65 T 4.6535 7.1119 113.4170 59.5678 72.9455 175.0550 66 L 3.9314 8.3781 122.9801 58.6926 41.9000 178.1800 67 E 3.8630 8.3291 118.2183 60.0388 29.3680 178.4424 68 N 4.5314 8.1457 117.3868 55.0177 38.4499 177.2855 69 V 4.0134 7.2862 121.2964 64.5073 31.6370 177.7790 70 L 4.0957 8.2106 118.6365 56.6757 41.8130 178.3481 71 S 4.5175 8.3775 112.8206 57.3894 63.1571 174.5801 72 N 4.3477 7.5161 118.1046 54.3538 36.5042 175.5004 73 K 4.0979 7.5486 118.1842 58.0897 32.4578 177.3759 74 V 4.4002 8.1239 119.6979 60.9604 34.0467 174.3808 75 T 4.7094 8.3613 115.7072 59.2742 71.6712 174.3628 76 A 4.3376 8.5969 123.1927 55.2775 18.2720 179.5460 77 Q 4.2148 7.7968 113.3199 57.9883 28.9516 176.6521 78 D 4.5605 8.4762 119.0894 55.8916 41.6458 177.0655 *79 M 4.4651 7.4976 118.8937 53.9989 33.1761 181.3864 80 R 4.6491 7.9457 118.7998 53.8688 32.4471 175.7098 81 I 3.7068 8.1825 122.7695 61.2501 38.7843 176.0582 82 T 4.3894 8.2569 118.2470 60.3155 71.4390 174.1006 83 P 4.2775 0.0000 0.0000 65.9844 30.9092 178.6699 84 E 3.8891 8.0379 117.2765 59.6310 29.8128 178.6643 85 T 4.0551 7.5637 115.6920 66.9734 68.6316 176.5339 86 L 3.8387 7.8004 120.4335 57.9400 41.5241 179.7848 87 R 4.1568 7.9898 117.5557 58.5543 30.0287 178.9220 88 L 4.1400 7.9890 119.4111 57.8308 41.5765 179.3654 89 Q 4.2002 8.1515 117.4373 58.7707 28.7500 178.2824 90 A 4.2345 8.1887 122.0574 55.1478 18.3738 179.6293 91 S 4.0756 8.0388 111.3113 61.7022 62.5596 176.4760 92 I 3.7418 7.9164 122.2990 64.4222 36.8579 178.3627 93 A 3.9602 8.5164 122.0542 54.8228 18.1160 179.6594 94 K 3.9021 8.0942 118.4042 59.6707 32.1016 178.6116 95 D 4.4264 8.1616 116.9101 56.3697 41.1910 176.9210 96 A 4.4600 7.5689 119.4433 51.4611 18.8799 177.4518 97 G 3.8273 7.8127 105.7319 46.4970 0.0000 175.2323 98 R 4.4850 7.9848 120.7890 53.7792 29.8732 176.2824 99 D 4.3291 8.0926 122.0062 57.0349 41.1685 178.0522 100 R 3.8330 7.8335 118.2169 59.0971 30.1355 178.5914 101 L 3.5627 7.7031 119.3541 58.0115 42.0270 178.7722 102 A 3.8498 7.7266 120.6650 55.1222 18.2847 179.2784 103 M 3.9244 8.2047 117.0892 58.7737 32.2744 177.9830 104 N 4.2559 8.2182 117.3098 56.8015 39.1313 176.9309 105 F 4.5271 8.2563 119.1816 60.4557 38.8684 177.6561 106 E 4.0262 8.4089 118.6208 59.4859 29.3064 179.5060 107 R 3.8983 8.1352 117.9053 59.1378 29.9586 178.9457 108 A 3.9635 8.2943 120.4910 55.1306 18.1359 179.5151 109 A 3.9408 7.8762 118.3649 55.3451 18.7993 179.4436 110 E 4.0941 7.9768 116.8797 59.3404 29.5145 178.9916 111 L 4.1812 7.8906 118.1106 56.4351 41.6175 179.0291 112 T 3.7962 7.5030 109.5580 64.2526 68.5911 175.4667 113 A 4.3065 7.3744 121.2049 52.1717 19.1557 177.2380 114 V 3.2399 7.0674 118.2008 60.7787 32.4226 174.5794 115 P 4.2821 0.0000 0.0000 62.9717 33.0514 176.4566 116 D 4.4121 8.8425 122.2944 58.0418 40.8789 179.4934 117 D 4.4260 8.0780 118.4551 56.3469 39.2613 178.3088 118 R 3.9607 7.8040 119.9200 58.9931 30.0732 178.1891 119 I 3.6557 8.0251 120.1106 64.4943 37.1867 178.2747 120 L 4.0977 7.9764 119.6220 57.8792 41.4067 179.5425 121 E 3.9954 8.1916 118.4155 59.4358 29.2132 179.4902 122 I 3.6853 7.8266 118.6812 64.5044 37.5353 177.2690 123 Y 4.4461 8.2495 120.6201 61.2006 38.5291 178.0640 124 N 3.8612 8.2631 116.6845 56.2902 38.4402 177.1532 125 A 3.9639 7.7893 120.8745 55.0009 18.4803 179.0056 126 L 4.1553 7.5195 115.3846 55.3642 42.1216 177.7642 127 R 4.0695 7.1638 118.7468 54.6787 30.7214 174.1706 128 P 3.8155 0.0000 0.0000 64.7291 31.5296 175.7658 129 Y 4.0779 8.8203 119.7886 59.2851 36.2682 172.6296 130 R 4.0781 7.8572 120.0209 58.0433 30.2705 176.4997 131 S 5.0642 7.8356 112.1712 56.7019 66.4546 172.4521 132 T 4.4885 8.2154 110.9256 59.5909 72.1595 174.7675 133 K 3.7886 8.6372 122.9344 59.8123 31.9666 178.4818 134 E 3.9350 8.1677 117.0283 59.8033 29.3166 178.8824 135 E 3.9635 7.8237 119.0873 58.7008 29.3983 179.4814 136 L 3.9126 7.8039 118.7015 57.8736 41.7331 179.5386 137 L 3.9648 8.1874 118.8906 57.6535 41.4889 179.5528 138 A 4.0058 8.3066 121.2519 55.1334 18.2423 179.7243 139 I 3.6753 8.0359 118.4663 64.3244 37.0895 178.3735 140 A 4.0140 8.3051 121.9398 55.4761 18.2283 179.3591 141 D 4.3010 8.2060 117.2627 57.5075 40.8103 178.5854 142 D 4.3240 8.2103 118.4004 57.3322 41.2036 178.1887 143 L 4.2418 8.3094 119.7840 57.9406 41.5973 179.2774 144 E 3.9463 8.4675 119.3844 59.3233 29.4595 178.9356 145 S 4.1171 8.2081 113.1951 61.2894 63.5430 175.4122 146 R 3.8354 7.9778 121.7531 57.7332 29.9361 176.2055 147 Y 4.6503 7.6238 111.7820 56.4610 39.6337 174.8783 148 Q 4.1171 8.2811 115.8305 56.0178 27.9263 175.6470 149 A 4.5483 7.9871 120.2447 51.3497 16.4668 176.8285 150 K 3.8303 7.9948 124.7764 59.1895 32.7026 178.4543 151 I 3.7072 8.0230 118.8902 65.0252 37.1925 178.2909 152 C 4.2503 8.9135 117.4035 62.5092 27.8705 176.0717 153 A 4.0285 8.2785 122.4118 55.1821 17.9639 179.5590 154 A 3.9692 8.0755 119.3499 55.0912 18.4371 179.4128 155 F 4.1161 8.2907 119.2919 61.7267 39.3616 177.6486 156 V 3.4806 8.0319 117.6271 65.9966 31.3289 178.2123 157 R 3.8564 8.0716 117.9420 58.9977 29.8569 178.6086 158 E 3.8523 8.5306 119.4122 59.0648 29.5442 178.6811 159 A 3.8179 7.6890 120.4522 55.0424 18.2904 179.0562 160 A 3.7836 7.8419 119.5581 55.8746 17.9847 179.9888 161 T 3.8310 7.8506 113.7143 66.9296 68.5670 176.9935 162 L 4.0954 8.0655 120.7958 57.8636 41.6420 179.0893 163 Y 4.2263 9.1960 117.7546 60.7299 37.5486 178.9190 164 V 3.6065 7.6937 119.5614 66.0719 31.5309 177.7263 165 E 3.9166 7.6915 117.5778 59.0879 29.5328 177.6251 166 R 4.1961 8.4574 114.8984 55.3829 30.9663 176.1216 167 K 4.0003 7.5255 117.2694 57.7647 29.3543 175.3424 168 K 4.3867 8.5243 114.3569 55.7922 34.0312 177.0121 169 L 4.8487 8.4972 120.7706 52.9742 42.9129 176.0783 170 K 4.4078 8.8997 121.5542 57.7398 32.3247 177.2169 171 G 3.9787 8.2149 112.4784 45.5967 0.0000 173.9467 172 D 4.4969 7.7571 118.1438 55.2536 41.3756 176.1770 173 D 3.7140 7.1073 123.4683 53.0848 39.5289 176.1189 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 37 S 8.33 4.35 0.00 4.02 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 38 A 8.08 4.31 1.56 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 0.00 0.00 39 R 9.92 4.71 0.00 2.10 1.90 0.00 3.27 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 1.60 1.94 0.00 40 V 8.92 3.78 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 0.95 0.00 0.00 0.98 0.00 0.00 41 S 8.07 4.36 0.00 4.04 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 42 D 8.26 4.57 0.00 2.90 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 43 Y 7.38 4.60 0.00 2.99 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 44 P 0.00 2.97 0.00 2.01 1.23 0.00 3.47 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 1.86 1.54 0.00 45 L 8.22 3.71 0.00 1.61 1.69 1.06 0.96 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 46 A 7.82 3.94 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 47 N 7.50 4.46 0.00 2.63 2.74 0.00 0.00 6.95 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.25 3.92 0.00 1.40 1.29 0.00 1.50 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 49 H 7.28 4.78 0.00 1.66 1.31 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.21 0.00 2.16 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 2.05 2.19 0.00 51 E 8.24 4.12 0.00 2.24 2.31 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 2.79 2.48 0.00 52 W 8.51 4.34 0.00 3.43 3.33 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 53 V 7.91 4.30 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 0.80 0.00 0.00 0.99 0.00 0.00 54 K 8.03 4.86 0.00 1.77 1.76 0.00 1.88 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.60 7.81 55 T 8.57 4.26 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 1.49 0.00 0.00 56 A 8.49 4.28 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 57 T 7.70 4.42 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 1.19 0.00 0.00 58 N 8.04 4.26 0.00 2.88 2.90 0.00 0.00 6.88 7.23 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 59 K 7.86 4.46 0.00 1.82 1.59 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.49 7.81 60 T 9.63 5.00 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 1.38 0.00 0.00 61 L 8.74 4.25 0.00 1.68 1.81 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.16 4.58 0.00 2.81 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 63 D 8.36 4.48 0.00 2.46 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 64 F 7.64 4.43 0.00 3.26 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.11 4.65 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 1.29 0.00 0.00 66 L 8.38 3.93 0.00 1.74 1.72 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.33 3.86 0.00 2.06 1.90 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 2.37 2.42 0.00 68 N 8.15 4.53 0.00 2.79 2.75 0.00 0.00 6.27 7.90 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 69 V 7.29 4.01 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 1.21 0.00 0.00 1.01 0.00 0.00 70 L 8.21 4.10 0.00 1.75 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.38 4.52 0.00 4.00 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 72 N 7.52 4.35 0.00 2.86 2.93 0.00 0.00 6.95 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 73 K 7.55 4.10 0.00 1.80 1.82 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.33 7.81 74 V 8.12 4.40 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 0.77 0.00 0.00 0.69 0.00 0.00 75 T 8.36 4.71 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 76 A 8.60 4.34 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 77 Q 7.80 4.21 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 78 D 8.48 4.56 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 M 7.50 4.47 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 3.13 0.00 80 R 7.95 4.65 0.00 1.78 1.85 0.00 3.19 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 81 I 8.18 3.71 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.84 0.00 0.00 82 T 8.26 4.39 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 83 P 0.00 4.28 0.00 2.28 2.55 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 84 E 8.04 3.89 0.00 1.94 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 2.30 2.45 0.00 85 T 7.56 4.06 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 1.19 0.00 0.00 86 L 7.80 3.84 0.00 1.81 1.81 0.87 0.66 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 87 R 7.99 4.16 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 88 L 7.99 4.14 0.00 2.00 1.90 1.10 0.66 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 89 Q 8.15 4.20 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.64 2.21 0.00 90 A 8.19 4.23 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.08 0.00 4.06 4.18 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 92 I 7.92 3.74 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.99 0.88 0.00 0.00 93 A 8.52 3.96 1.21 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 94 K 8.09 3.90 0.00 2.04 1.99 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.59 7.81 95 D 8.16 4.43 0.00 2.82 2.85 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 0.00 0.00 0.00 96 A 7.57 4.46 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 97 G 7.81 3.83 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 0.00 0.00 0.00 98 R 7.98 4.48 0.00 1.79 1.72 0.00 3.03 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 99 D 8.09 4.33 0.00 2.65 2.68 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 0.00 0.00 0.00 100 R 7.83 3.83 0.00 1.82 1.91 0.00 3.14 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 101 L 7.70 3.56 0.00 1.50 1.52 0.57 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.73 3.85 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 0.00 103 M 8.20 3.92 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 104 N 8.22 4.26 0.00 2.78 2.83 0.00 0.00 7.26 7.38 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 0.00 105 F 8.26 4.53 0.00 3.27 3.16 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 0.00 106 E 8.41 4.03 0.00 2.18 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 2.62 2.51 0.00 107 R 8.14 3.90 0.00 1.90 1.86 0.00 2.72 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 108 A 8.29 3.96 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 0.00 109 A 7.88 3.94 1.44 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 0.00 0.00 110 E 7.98 4.09 0.00 2.21 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 2.34 2.56 0.00 111 L 7.89 4.18 0.00 1.67 1.63 0.88 0.60 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 0.00 112 T 7.50 3.80 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 1.28 0.00 0.00 113 A 7.37 4.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.07 3.24 1.82 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 0.29 0.00 0.00 0.48 0.00 0.00 115 P 0.00 4.28 0.00 2.25 2.00 0.00 3.47 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 116 D 8.84 4.41 0.00 2.68 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 0.00 117 D 8.08 4.43 0.00 2.88 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 0.00 118 R 7.80 3.96 0.00 1.95 2.03 0.00 3.26 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 119 I 8.03 3.66 2.07 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.76 0.90 0.00 0.00 120 L 7.98 4.10 0.00 1.91 1.79 0.94 0.79 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 0.00 121 E 8.19 4.00 0.00 2.27 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 2.35 2.56 0.00 122 I 7.83 3.69 2.02 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 1.76 0.73 0.95 0.00 0.00 123 Y 8.25 4.45 0.00 3.05 3.18 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 0.00 124 N 8.26 3.86 0.00 2.96 2.79 0.00 0.00 6.99 6.58 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 0.00 125 A 7.79 3.96 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 0.00 126 L 7.52 4.16 0.00 1.80 1.78 1.05 0.68 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 0.00 127 R 7.16 4.07 0.00 1.82 1.70 0.00 2.21 0.00 0.00 2.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.15 0.00 128 P 0.00 3.82 0.00 1.68 1.25 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 129 Y 8.82 4.08 0.00 3.14 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 0.00 130 R 7.86 4.08 0.00 2.01 1.97 0.00 3.26 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 131 S 7.84 5.06 0.00 3.83 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 0.00 132 T 8.22 4.49 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 1.23 0.00 0.00 133 K 8.64 3.79 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.51 7.81 134 E 8.17 3.94 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 135 E 7.82 3.96 0.00 2.17 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 2.33 2.36 0.00 136 L 7.80 3.91 0.00 1.81 1.57 0.51 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.19 3.96 0.00 1.82 1.71 0.91 0.99 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 0.00 138 A 8.31 4.01 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 0.00 139 I 8.04 3.68 2.04 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 1.47 0.91 0.93 0.00 0.00 140 A 8.31 4.01 1.44 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 0.00 0.00 141 D 8.21 4.30 0.00 2.85 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 0.00 142 D 8.21 4.32 0.00 2.85 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 L 8.31 4.24 0.00 2.01 1.80 0.97 0.79 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 0.00 144 E 8.47 3.95 0.00 2.06 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 2.33 0.00 145 S 8.21 4.12 0.00 4.00 3.96 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 0.00 146 R 7.98 3.84 0.00 1.57 1.68 0.00 2.58 0.00 0.00 2.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.25 0.00 147 Y 7.62 4.65 0.00 3.18 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 0.00 148 Q 8.28 4.12 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 149 A 7.99 4.55 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.99 3.83 0.00 1.80 1.90 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.51 7.81 151 I 8.02 3.71 2.16 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 1.64 0.47 0.90 0.00 0.00 152 C 8.91 4.25 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.28 4.03 1.47 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 0.00 0.00 154 A 8.08 3.97 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 0.00 155 F 8.29 4.12 0.00 3.26 3.33 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 0.00 156 V 8.03 3.48 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 1.01 0.00 0.00 1.04 0.00 0.00 157 R 8.07 3.86 0.00 2.02 1.94 0.00 3.19 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 158 E 8.53 3.85 0.00 2.01 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 0.00 2.19 2.28 0.00 159 A 7.69 3.82 0.92 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 0.00 160 A 7.84 3.78 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.85 3.83 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 1.21 0.00 0.00 162 L 8.07 4.10 0.00 1.93 1.76 0.92 0.83 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 0.00 163 Y 9.20 4.23 0.00 3.09 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.69 3.61 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 1.02 0.00 0.00 1.02 0.00 0.00 165 E 7.69 3.92 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 2.32 2.29 0.00 166 R 8.46 4.20 0.00 1.73 1.86 0.00 3.52 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 167 K 7.53 4.00 0.00 1.91 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.41 7.81 168 K 8.52 4.39 0.00 0.97 1.09 0.00 1.17 0.00 0.00 1.46 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.03 0.99 7.81 169 L 8.50 4.85 0.00 2.01 1.78 0.99 0.85 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 0.00 170 K 8.90 4.41 0.00 1.84 1.77 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.40 7.81 171 G 8.21 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 0.00 172 D 7.76 4.50 0.00 3.10 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 0.00 173 D 7.11 3.71 0.00 2.26 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 * Residues marked with a * may have inaccurate shift predictions.