NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.6047 8.3644 119.5560 53.3138 40.3288 174.1103 9 S 4.6202 7.6651 120.6793 57.1374 64.7800 174.7161 10 I 4.2922 8.9934 125.8967 60.1662 38.7959 175.1711 11 I 4.5598 8.2673 125.5850 59.3477 39.6943 174.7151 12 R 4.5655 8.5404 123.5303 54.4261 31.5741 175.0598 13 F 5.0688 8.0088 118.7699 55.1239 41.2954 173.5425 14 S 4.7288 8.5919 115.0464 56.6282 64.0567 173.3481 15 V 4.5467 7.9780 123.7271 61.1561 34.3972 174.5942 16 S 4.8210 8.7006 121.9484 56.6327 65.2710 173.4870 17 L 4.8447 8.1514 123.8871 52.0596 45.1288 176.8319 18 Q 4.1163 8.4696 122.1465 55.8045 31.0689 176.8204 19 Q 3.9431 8.7889 127.1288 59.5666 28.8659 179.2729 20 N 4.3136 8.1385 117.1186 56.2192 37.2623 177.0078 21 L 3.9893 7.8552 121.2118 57.0901 41.7817 179.1201 22 L 3.9264 8.0414 120.3995 58.1960 42.0437 178.6214 23 D 4.3735 8.5798 119.2943 57.4816 40.7723 178.5646 24 E 3.9367 7.9962 119.8687 58.8567 29.5487 178.2596 25 L 3.9040 8.0861 120.7105 58.6067 42.2064 178.9264 26 D 4.3428 8.1908 118.4672 57.3968 40.6967 178.5424 27 N 4.3726 8.2214 117.1522 56.2489 38.4173 177.4951 28 R 3.9525 8.1841 120.1969 59.2299 30.1666 178.3799 29 I 3.8182 8.0194 120.0185 64.6687 37.1999 178.4693 30 I 3.7306 7.6946 120.0171 64.4077 36.7611 178.6457 31 K 4.1050 8.3325 118.4089 59.0048 31.9984 178.1941 32 N 4.8785 8.5068 113.7029 52.5040 38.9712 175.7971 33 G 3.8049 7.6095 107.2118 45.9290 0.0000 173.7269 34 Y 4.2973 7.8244 116.6314 57.8168 38.3980 175.8980 35 S 4.6621 9.6097 117.5898 59.2328 64.4540 174.9349 36 S 4.6133 7.5441 113.8019 56.1414 66.3737 175.6837 37 R 3.8522 8.4212 121.4805 59.4707 29.7073 179.1742 38 S 3.9669 7.9636 112.2780 61.2545 62.4431 175.5740 39 E 3.9169 8.3273 122.0090 59.2429 29.4337 178.5247 40 L 3.2579 7.6344 119.8777 57.9819 42.0433 179.0431 41 V 3.5200 7.9728 118.5732 65.8807 31.4307 177.8023 42 R 3.8998 8.1923 118.6831 59.7245 29.9329 178.2964 43 D 4.4053 8.1145 118.5535 57.3902 40.7279 178.5228 44 M 3.9857 8.3656 119.6615 58.5093 31.9382 178.4969 45 I 3.6885 7.8754 119.8799 64.7043 37.1390 178.3595 46 R 3.9192 7.7190 116.9688 59.4124 30.3447 178.4102 47 E 4.1391 8.3277 121.1515 59.9927 29.5092 179.6151 48 K 4.1709 8.2493 122.1224 59.0669 31.8879 180.4482 49 L 4.3639 8.0628 116.9483 56.8372 42.9112 178.0003 50 V 3.7785 7.1022 120.9492 61.2249 29.7632 175.8347 *58 N 4.4230 7.6702 116.2190 51.8622 39.0762 172.9880 59 P 4.0484 0.0000 0.0000 61.9855 31.9489 175.4477 60 N 5.1315 7.7989 116.9277 51.6482 40.4675 174.2231 61 D 4.8163 8.6544 116.1375 55.2394 41.4178 176.9308 62 E 4.1708 8.2932 121.1552 55.9794 30.5069 176.4667 63 S 4.4620 8.7828 119.6203 58.7166 63.1345 173.3435 64 K 4.8185 9.1648 125.5584 54.6410 36.6234 175.1887 65 I 4.7054 8.4028 122.5663 60.5042 39.9743 174.1545 66 A 5.1138 8.9523 128.4653 50.7034 23.5512 174.9583 67 V 4.8782 9.0629 118.8285 61.0018 35.0168 173.9571 68 L 5.1284 9.2061 129.9398 53.3297 44.6048 174.8175 69 V 4.7482 8.7499 126.8456 61.4329 33.4928 174.4238 70 V 4.8886 9.0787 128.2118 61.1278 34.5180 173.9975 71 I 4.8360 7.4956 128.1835 59.6372 39.7720 174.2427 72 Y 5.1846 8.1189 123.1470 55.3257 42.2589 173.5490 73 D 5.1385 9.2316 121.4755 54.4700 41.7539 176.5178 74 H 4.7174 9.0035 121.7485 57.2550 28.9163 175.5569 75 H 4.6692 8.3930 116.8909 55.6466 28.9402 174.6598 76 Q 4.2161 7.9371 122.5704 54.9812 28.3874 175.4807 77 R 3.9679 8.3604 125.0612 57.4191 30.8190 177.3901 78 E 3.7815 8.9455 118.6540 56.9433 28.1165 176.0147 79 L 3.8438 7.5888 121.5317 58.4680 41.9752 178.6489 80 N 4.1036 7.9349 115.6288 56.1331 38.4153 176.8547 81 Q 3.9051 8.0046 120.4507 59.4763 29.0529 178.7002 82 R 4.0367 8.0871 118.9173 59.5009 30.0240 179.0346 83 M 4.0135 8.1570 118.6478 58.1757 31.9242 178.6904 84 I 3.5565 7.8326 120.1280 64.4647 37.4236 177.9355 85 D 4.3290 8.1596 119.6130 57.5483 40.7236 178.8267 86 I 3.6885 7.9399 120.3257 64.6662 36.9415 178.2879 87 Q 3.9944 8.1358 117.3884 59.5449 28.6784 178.4779 88 H 4.3665 8.4484 115.6727 58.8588 28.7660 177.2141 89 A 4.3058 8.0380 121.3880 53.9079 18.4066 179.5301 90 S 4.0483 7.5895 112.0544 59.8948 63.0422 175.7359 91 G 4.0022 7.7255 110.3952 45.3167 0.0000 173.8147 92 T 4.2531 7.4769 109.3069 61.5850 69.8964 173.2659 93 H 4.8999 9.0948 123.0520 54.3606 31.7631 173.5600 94 V 3.9847 8.4058 126.7283 63.0496 31.3837 175.5629 95 L 4.2180 8.8690 128.8887 57.3387 42.5752 176.7892 96 C 4.8457 7.4757 115.4196 58.6512 34.7905 172.8056 97 T 5.2083 8.5567 113.7943 60.2573 71.5656 173.0767 98 T 4.7808 8.8445 119.9610 62.1505 72.3615 172.5535 99 H 5.5222 9.0033 122.1303 53.9682 32.0167 172.9712 100 I 4.7324 8.5619 114.7763 59.2929 41.5378 174.0918 101 H 4.5730 8.7703 120.9100 55.4880 29.2731 175.2127 102 M 4.3409 8.4882 122.4167 56.5975 32.5550 175.4133 103 D 4.4837 7.2121 117.3731 52.5310 41.2404 174.8969 104 E 3.9671 8.8197 115.2648 58.8338 30.3787 176.8023 105 H 4.8719 9.2933 115.8392 55.4257 31.0817 173.2684 106 N 5.4114 7.7236 116.5030 51.4584 42.4208 173.3792 107 C 4.9559 8.4736 119.1449 57.7297 31.9554 172.4972 108 L 4.9779 8.5567 123.2885 53.2395 44.4097 174.6461 109 E 5.1775 9.4261 127.7330 54.4787 32.8045 174.2934 110 T 5.0617 8.8380 116.8365 59.9713 71.7085 172.9924 111 I 4.8163 8.8525 126.5918 59.6038 40.0728 174.3437 112 I 4.9916 8.7493 129.0476 59.5075 39.2867 174.9459 113 L 5.1799 8.8380 125.9985 54.3806 44.5049 174.5495 114 Q 5.0727 8.8747 118.3370 54.6995 31.8227 174.8267 115 G 4.2828 8.5131 107.5489 46.3176 0.0000 172.2374 116 N 5.5831 8.7549 117.8117 50.9017 39.1094 176.3374 117 S 4.0139 8.3117 114.1155 61.9315 62.6392 177.3355 118 F 4.2829 8.0023 119.7529 60.3972 38.7277 177.5518 119 E 4.0127 8.6856 118.2609 59.6224 29.3057 179.5640 120 I 3.7525 7.7623 119.8425 64.2859 37.1729 178.2887 121 Q 3.9379 8.2416 120.5418 59.1124 28.8388 178.3011 122 R 3.8811 8.0076 119.6982 59.2360 30.1055 177.9318 123 L 3.9224 8.0715 120.2994 58.4568 41.9905 178.8110 124 Q 3.9691 8.2314 119.2053 59.2780 28.8594 178.2910 125 L 4.0343 8.0154 120.0146 57.7418 41.4535 179.3252 126 E 3.9955 8.4014 118.1379 59.4059 29.6965 179.1944 127 I 3.9542 8.0781 120.1284 64.3586 36.9951 178.7283 128 G 3.8996 8.2346 105.5333 47.2116 0.0000 174.8325 129 G 3.9901 7.4835 105.4157 43.6610 0.0000 173.7781 130 L 4.2089 7.5092 122.2298 53.7454 42.3772 176.6588 131 R 4.1124 8.3597 123.3669 57.8875 30.6084 176.4099 132 G 3.9999 9.1009 113.3561 45.2293 0.0000 172.9574 133 V 4.1788 7.3340 119.8313 62.3083 31.8057 175.6279 134 K 4.4454 9.0338 128.1882 58.8763 33.0734 176.7458 135 F 4.8926 7.4699 112.0399 56.4784 41.0477 173.5184 136 A 4.7692 8.9098 121.1113 51.1153 21.0223 175.4239 137 K 4.5992 9.5974 122.1244 55.3007 34.9371 175.5932 138 L 4.9538 8.5598 126.8276 54.2532 43.8600 175.5333 139 T 4.6730 9.1172 122.0181 61.5919 71.6805 172.7067 140 K 4.8834 8.8496 126.9960 54.3973 34.9273 174.9834 141 A 4.7361 8.5958 128.6104 50.1705 20.6937 176.0457 142 S 4.3442 8.7422 118.9735 59.0285 63.3394 176.0182 143 S 2.7900 8.4064 123.5148 60.3122 62.2210 177.1722 *144 F 4.1001 7.6430 115.8003 59.8323 38.1579 180.5640 145 E 4.4549 8.4194 120.1176 54.9560 29.3074 176.1866 146 Y 4.3436 7.7568 121.4583 57.1532 37.3979 171.4251 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 8 D 8.36 4.60 0.00 2.71 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 9 S 7.67 4.62 0.00 3.93 3.78 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 10 I 8.99 4.29 1.89 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 1.43 0.59 0.93 0.00 0.00 11 I 8.27 4.56 1.99 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 0.60 1.00 0.00 0.00 12 R 8.54 4.57 0.00 1.73 1.82 0.00 3.16 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 13 F 8.01 5.07 0.00 3.13 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 14 S 8.59 4.73 0.00 3.85 3.82 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 15 V 7.98 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 0.92 0.00 0.00 1.01 0.00 0.00 16 S 8.70 4.82 0.00 3.87 3.74 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 17 L 8.15 4.84 0.00 1.58 1.52 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.47 4.12 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 19 Q 8.79 3.94 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.79 0.00 20 N 8.14 4.31 0.00 2.97 3.08 0.00 0.00 6.22 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.86 3.99 0.00 1.91 1.76 0.94 0.54 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 22 L 8.04 3.93 0.00 1.76 1.79 0.90 1.13 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 23 D 8.58 4.37 0.00 2.89 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 24 E 8.00 3.94 0.00 2.04 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 2.30 2.35 0.00 25 L 8.09 3.90 0.00 1.84 1.85 0.84 1.36 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 26 D 8.19 4.34 0.00 2.89 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 27 N 8.22 4.37 0.00 2.91 2.87 0.00 0.00 6.64 7.82 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 28 R 8.18 3.95 0.00 2.00 2.07 0.00 3.19 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 29 I 8.02 3.82 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 1.49 0.53 1.01 0.00 0.00 30 I 7.69 3.73 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.92 0.00 0.00 31 K 8.33 4.11 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.62 7.81 32 N 8.51 4.88 0.00 3.09 3.09 0.00 0.00 7.16 8.10 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 33 G 7.61 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.82 4.30 0.00 3.01 3.05 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 35 S 9.61 4.66 0.00 3.84 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 36 S 7.54 4.61 0.00 3.99 3.93 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 37 R 8.42 3.85 0.00 1.83 1.97 0.00 3.10 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 38 S 7.96 3.97 0.00 3.80 3.82 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 39 E 8.33 3.92 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 40 L 7.63 3.26 0.00 1.29 1.40 -0.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.97 3.52 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 1.01 0.00 0.00 0.89 0.00 0.00 42 R 8.19 3.90 0.00 1.98 2.16 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 43 D 8.11 4.41 0.00 2.90 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 44 M 8.37 3.99 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 45 I 7.88 3.69 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.95 0.00 0.00 46 R 7.72 3.92 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 47 E 8.33 4.14 0.00 2.15 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 2.31 2.33 0.00 48 K 8.25 4.17 0.00 1.87 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 49 L 8.06 4.36 0.00 1.74 1.76 0.92 1.15 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 50 V 7.10 3.78 2.21 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 0.77 0.00 0.00 0.99 0.00 0.00 *58 N 7.67 4.42 0.00 2.73 2.81 0.00 0.00 7.25 8.02 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 59 P 0.00 4.05 0.00 0.78 1.57 0.00 3.27 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 60 N 7.80 5.13 0.00 2.93 2.92 0.00 0.00 6.25 8.07 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 61 D 8.65 4.82 0.00 2.74 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 62 E 8.29 4.17 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 63 S 8.78 4.46 0.00 3.91 3.81 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 64 K 9.16 4.82 0.00 1.83 1.66 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 65 I 8.40 4.71 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.56 0.95 0.00 0.00 66 A 8.95 5.11 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 67 V 9.06 4.88 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 0.88 0.00 0.00 0.92 0.00 0.00 68 L 9.21 5.13 0.00 1.75 1.50 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.75 4.75 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 1.06 0.00 0.00 0.98 0.00 0.00 70 V 9.08 4.89 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 0.96 0.00 0.00 0.96 0.00 0.00 71 I 7.50 4.84 0.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.31 0.73 0.00 0.00 72 Y 8.12 5.18 0.00 3.13 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 73 D 9.23 5.14 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 9.00 4.72 0.00 3.33 3.25 0.00 5.61 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 75 H 8.39 4.67 0.00 3.23 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.94 4.22 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 77 R 8.36 3.97 0.00 1.84 1.85 0.00 3.38 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 78 E 8.95 3.78 0.00 2.15 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 2.28 2.21 0.00 79 L 7.59 3.84 0.00 1.77 1.54 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.93 4.10 0.00 2.70 2.77 0.00 0.00 6.67 8.01 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 81 Q 8.00 3.91 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 82 R 8.09 4.04 0.00 1.98 1.92 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 83 M 8.16 4.01 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 84 I 7.83 3.56 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.71 0.00 0.00 85 D 8.16 4.33 0.00 2.86 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 86 I 7.94 3.69 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 1.51 1.15 0.91 0.00 0.00 87 Q 8.14 3.99 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 88 H 8.45 4.37 0.00 3.23 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.04 4.31 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 90 S 7.59 4.05 0.00 4.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.73 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 92 T 7.48 4.25 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 1.24 0.00 0.00 93 H 9.09 4.90 0.00 3.16 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.41 3.98 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 0.91 0.00 0.00 0.98 0.00 0.00 95 L 8.87 4.22 0.00 1.58 1.66 0.90 0.71 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 96 C 7.48 4.85 0.00 2.93 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 97 T 8.56 5.21 4.36 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 1.21 0.00 0.00 98 T 8.84 4.78 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 1.22 0.00 0.00 99 H 9.00 5.52 0.00 2.94 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.56 4.73 1.85 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 1.19 1.23 0.90 0.00 0.00 101 H 8.77 4.57 0.00 3.12 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.49 4.34 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.22 0.00 103 D 7.21 4.48 0.00 2.86 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 0.00 104 E 8.82 3.97 0.00 1.96 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 2.29 2.26 0.00 105 H 9.29 4.87 0.00 3.13 3.36 0.00 5.55 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 0.00 106 N 7.72 5.41 0.00 2.50 2.49 0.00 0.00 6.65 7.54 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 0.00 107 C 8.47 4.96 0.00 1.49 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 0.00 0.00 0.00 108 L 8.56 4.98 0.00 1.55 1.40 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.43 5.18 0.00 2.02 1.83 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 2.12 2.09 0.00 110 T 8.84 5.06 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 1.21 0.00 0.00 111 I 8.85 4.82 1.87 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 1.31 0.63 0.90 0.00 0.00 112 I 8.75 4.99 1.85 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 1.27 0.66 0.89 0.00 0.00 113 L 8.84 5.18 0.00 1.81 1.69 0.94 0.46 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 0.00 114 Q 8.87 5.07 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 115 G 8.51 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.75 5.58 0.00 3.21 3.13 0.00 0.00 6.92 7.81 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 0.00 117 S 8.31 4.01 0.00 3.38 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 0.00 118 F 8.00 4.28 0.00 3.30 3.09 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 0.00 119 E 8.69 4.01 0.00 2.25 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 2.63 2.52 0.00 120 I 7.76 3.75 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.92 0.00 0.00 121 Q 8.24 3.94 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 122 R 8.01 3.88 0.00 2.23 2.05 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 123 L 8.07 3.92 0.00 1.81 1.85 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.23 3.97 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 125 L 8.02 4.03 0.00 1.77 1.71 0.96 0.97 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 0.00 126 E 8.40 4.00 0.00 1.98 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 2.49 0.00 127 I 8.08 3.95 1.96 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 1.42 0.68 0.90 0.00 0.00 128 G 8.23 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.48 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.51 4.21 0.00 1.78 1.57 0.86 0.79 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 0.00 131 R 8.36 4.11 0.00 1.77 1.84 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 132 G 9.10 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 0.00 133 V 7.33 4.18 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 0.88 0.00 0.00 0.94 0.00 0.00 134 K 9.03 4.45 0.00 1.55 1.88 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.50 7.81 135 F 7.47 4.89 0.00 2.98 3.14 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 0.00 136 A 8.91 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.60 4.60 0.00 1.70 1.67 0.00 1.16 0.00 0.00 1.28 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.27 7.81 138 L 8.56 4.95 0.00 1.65 1.55 0.93 0.98 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 0.00 139 T 9.12 4.67 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 0.00 140 K 8.85 4.88 0.00 1.73 1.66 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.40 7.81 141 A 8.60 4.74 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 0.00 142 S 8.74 4.34 0.00 3.85 3.68 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 0.00 143 S 8.41 2.79 0.00 3.67 3.77 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 *144 F 7.64 4.10 0.00 2.29 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 0.00 0.00 0.00 0.00 145 E 8.42 4.45 0.00 2.27 2.12 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 2.36 2.24 0.00 146 Y 7.76 4.34 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.