NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0108 8.0544 120.4025 62.8456 31.7519 173.9464 13 F 4.1702 8.1310 128.4627 55.4505 40.9564 172.4526 14 G 4.3427 9.0986 117.2122 43.2660 0.0000 172.3769 15 E 4.0238 8.4817 118.5083 59.0313 29.2728 179.2357 16 E 3.8231 8.0074 119.1280 59.3183 29.7612 178.7034 17 Q 3.6180 7.5595 117.3752 58.8115 28.5594 178.0825 18 E 3.9886 7.7145 119.5167 59.3782 29.5040 178.8060 19 A 3.9730 8.0445 120.7196 55.0951 18.4779 179.5284 20 L 3.9644 7.8260 117.4905 57.9152 41.6233 179.9504 21 V 3.0613 7.4828 117.8993 65.9687 31.4172 178.1454 22 L 4.1557 8.2477 119.1013 57.5133 41.3759 179.3740 23 K 4.0410 9.0125 121.0928 59.4213 32.1261 179.1129 24 S 4.2702 8.4605 114.6639 61.2383 62.9962 176.0731 25 W 4.6325 8.9745 132.4737 60.3750 30.2435 177.6281 26 A 3.5945 7.9793 119.1808 55.0929 17.6834 179.4466 27 V 3.5930 7.5993 116.3927 66.6355 31.4424 178.2663 28 M 3.8677 8.0647 117.6764 58.0512 31.8841 178.2910 29 K 3.0368 7.5412 119.6210 58.7287 32.3081 177.8700 30 K 4.3056 7.3148 118.6466 54.7940 32.4356 176.8011 31 D 5.5963 7.4292 128.1927 54.2765 43.9171 177.9975 32 A 3.8559 7.4409 122.4383 54.6655 18.1410 179.4732 33 A 3.9515 7.9634 119.1963 55.7178 18.4755 179.4189 34 N 4.3793 7.9874 113.4898 55.8709 38.7866 177.4383 35 L 4.0994 8.1712 122.3339 58.1404 42.1222 179.3387 36 G 3.9705 8.3066 105.8044 47.5890 0.0000 175.5338 37 L 4.0284 7.9139 122.3656 58.1254 42.1831 179.3238 38 R 3.9374 8.5098 118.4344 59.1778 30.0225 178.3804 39 F 4.6021 8.2615 121.7617 61.1297 39.3993 177.1606 40 F 3.3392 8.1736 115.7075 59.0101 38.7997 177.9534 41 L 4.0057 7.9987 119.5085 57.6176 41.3775 179.2988 42 K 3.9552 7.9655 119.6284 59.2743 32.0443 179.0493 43 V 3.3743 7.1277 118.1223 66.0413 31.2027 178.0183 44 F 4.6220 7.8459 117.0334 60.0080 38.5110 177.4857 45 E 4.0197 7.9043 118.7770 59.1229 29.4952 178.5023 46 I 4.0886 7.7396 118.9352 62.7647 38.6443 176.3414 47 A 4.6759 8.2329 123.4472 48.3859 18.9789 174.1353 48 P 4.5120 0.0000 0.0000 64.6115 31.6154 177.9418 49 S 4.1035 8.2290 112.1273 61.1525 62.2060 175.9491 50 A 4.1853 8.2222 124.0214 54.1415 18.0799 179.4615 51 K 3.4231 8.0371 117.7305 59.1962 31.7399 179.3387 52 Q 3.9870 7.6034 117.7736 58.9595 28.6199 178.1968 53 M 4.3171 7.5380 117.9484 56.5270 32.1268 176.1161 54 F 4.2371 7.7321 117.2163 55.3966 39.1946 175.6749 55 S 4.1372 8.6789 122.3059 61.3667 63.5569 175.9315 56 F 3.6243 8.2762 117.4898 58.2966 38.0658 174.1734 *64 L 4.2751 7.7108 121.7369 55.9387 41.8039 177.1768 65 E 4.6649 7.3777 119.4290 56.3603 37.0202 176.2807 66 K 4.3495 7.6061 121.6995 55.2401 31.6317 177.8987 67 N 4.3309 7.8409 118.1588 53.3124 40.8248 172.3829 68 P 4.2282 0.0000 0.0000 65.6251 31.5232 178.6449 69 K 3.7665 7.7599 117.1995 59.7722 31.9757 178.9161 70 L 3.8630 8.1181 119.5875 57.8134 41.8879 178.8403 71 K 3.9322 7.7297 119.7812 59.9535 32.3275 178.9538 72 T 3.8935 8.2624 116.4026 66.7794 68.2977 176.1607 73 H 4.0059 8.5560 120.1715 59.2647 30.0321 177.1012 74 A 4.0593 7.7997 122.5564 55.6797 18.1855 179.5685 75 M 4.4494 8.5652 117.2603 58.4582 31.9781 179.0803 76 S 4.1252 8.0251 115.0323 61.6540 63.0645 176.4839 77 V 3.6921 7.7079 120.6616 66.3886 31.2073 177.9070 78 F 4.1250 8.1888 116.7722 60.6005 38.8212 177.8608 79 V 3.2999 8.3534 117.8661 66.4246 31.3450 178.0883 80 M 4.1451 8.5275 118.5500 58.3389 31.6174 178.9653 81 T 3.9050 8.1285 116.3645 66.7430 68.6438 176.3389 82 C 3.8418 7.9580 118.6214 62.8588 28.0905 176.0825 83 E 3.9122 8.1130 119.8363 59.2117 28.9305 179.1579 84 A 3.8424 8.3048 121.0095 54.9806 18.3999 179.3295 85 A 3.3178 7.8820 119.0430 55.3331 18.4902 179.6761 86 A 4.3992 7.7694 120.2979 54.9744 18.3861 179.8667 87 Q 3.9641 8.3418 116.8322 58.7843 28.9115 178.7176 88 L 3.9067 7.9157 120.4752 57.3653 41.2686 179.5480 89 R 4.6469 7.5468 118.9558 59.1650 30.2160 178.0824 90 K 4.0190 8.0575 117.9553 58.7196 32.6433 177.7390 91 A 4.4811 8.3404 119.3318 51.3100 19.3341 178.5253 92 G 3.8355 9.2000 105.1410 45.2043 0.0000 173.0956 93 K 4.3267 7.0827 116.5165 55.4261 35.5928 175.3048 94 V 3.7787 8.1519 119.7489 63.1424 31.5381 175.4345 95 T 4.5008 9.4763 118.1046 61.0982 68.9378 174.2979 96 V 3.5074 7.8932 120.4309 63.6530 31.9750 176.3466 97 R 3.8383 8.6859 123.4596 57.0480 30.9177 177.3197 98 E 3.9120 9.0354 124.2475 59.5883 29.5233 179.0699 99 T 3.9463 7.8107 109.4685 65.0520 69.0878 176.7929 100 T 3.9118 7.7508 118.1913 66.2475 68.4464 176.5282 101 L 4.0140 8.1810 121.1201 57.7348 41.6263 179.6944 102 K 4.0275 7.9938 118.1441 59.0614 32.0051 179.4412 103 R 3.9421 8.0393 119.2843 59.2578 29.9849 178.5963 104 L 4.1903 8.2300 119.0136 57.8170 41.8090 179.6182 105 G 3.7993 8.7033 107.0670 47.1853 0.0000 175.6043 106 A 4.0458 8.1734 123.1640 55.1796 18.4775 179.7643 107 T 3.9187 8.0792 114.3164 67.3545 68.6011 176.4855 108 H 4.4101 8.3874 117.4482 58.0316 28.9094 177.6256 109 L 4.0586 7.9916 122.5332 57.9981 41.6978 178.8253 110 R 3.8018 7.8165 118.1445 59.3383 30.0810 176.6028 111 Y 4.0900 8.0126 112.6957 57.6311 38.0836 175.3245 112 G 3.6563 7.7617 107.4873 46.4804 0.0000 174.5454 113 V 3.5960 7.7628 120.3909 61.7725 31.4185 176.0081 114 A 4.6393 8.5734 129.7740 50.8528 21.7651 176.7942 115 D 4.6970 8.7631 119.6888 57.7008 40.6322 179.6362 116 G 3.5846 8.0524 105.7429 48.1187 0.0000 175.3025 117 H 4.2070 8.0378 118.5264 58.6322 28.8123 177.7344 118 F 4.4368 8.1875 119.4149 60.6857 38.7061 177.6728 119 E 4.1348 8.6741 118.2948 59.5231 29.3399 179.4839 120 V 3.6536 8.0844 118.4066 66.3446 31.4388 178.2480 121 T 3.8689 8.0814 115.5519 66.3680 68.3074 176.7902 122 G 3.1395 8.1497 107.6809 47.6265 0.0000 175.4189 123 F 4.0683 8.3836 123.2069 60.9133 39.4647 177.0608 124 A 3.8831 8.7304 120.7447 54.7798 18.1120 179.1075 125 L 2.7017 8.4367 119.6332 58.1219 42.0327 179.3221 126 L 3.8478 7.5067 118.5292 57.7704 41.5478 179.4333 127 E 3.5750 7.5446 118.2453 59.6085 29.2139 179.5611 128 T 3.7652 7.6422 115.6509 66.5168 68.4104 176.8366 129 I 3.5753 7.3587 121.7973 63.8475 36.6253 178.1505 130 K 2.6287 7.1652 120.3779 59.2172 31.5739 178.6658 131 E 3.8953 7.5878 116.6682 58.2586 29.4274 178.0794 132 A 4.3264 7.4520 118.8259 51.2412 19.7868 176.6569 133 L 4.7618 6.6094 116.4077 51.5062 44.6659 174.9019 134 P 4.3813 0.0000 0.0000 62.4232 32.1080 177.0832 135 A 4.1441 8.7743 123.0491 55.4547 18.3582 179.6241 136 D 4.5184 8.0628 113.9042 55.9922 39.8736 177.1201 137 M 4.3022 7.9080 117.5054 55.6120 32.4825 175.7163 138 W 4.8375 7.5571 129.4862 56.1890 32.1433 175.6422 139 S 4.2752 6.5993 118.1557 56.2529 65.9544 176.3728 140 L 3.7024 7.9183 123.2555 58.2955 41.7657 178.6631 141 E 3.8590 7.9186 117.9699 59.4592 29.4104 178.8265 142 M 3.9582 7.6868 118.1511 58.5468 32.3090 178.1866 143 K 3.9025 7.2937 119.6583 59.4660 32.2913 178.9488 144 K 4.0462 8.1690 118.5981 59.1565 31.9423 179.3166 145 A 4.0091 8.0485 121.1559 55.0232 18.2540 179.7581 146 W 4.1442 8.3362 117.3137 59.9860 29.1378 178.7294 147 A 4.1909 8.5183 120.8456 54.9964 17.7391 179.4148 148 E 3.9317 8.5475 117.8556 59.2617 29.8974 178.7001 149 A 3.7193 8.1313 120.8487 55.3450 18.4239 178.9380 150 Y 3.9962 8.4593 118.2033 60.9651 38.9360 178.1521 151 S 4.0765 8.4547 114.1052 61.6467 62.5043 176.2386 152 Q 3.9280 8.2375 120.7892 58.6858 28.5515 178.2883 153 L 3.8288 7.6637 121.2690 57.9154 41.9745 179.2694 154 V 3.0343 7.4647 118.1285 65.6970 31.5097 177.9316 155 A 3.7946 7.8423 120.3048 54.9973 17.9494 179.4572 156 A 3.9040 7.7259 118.4593 55.1287 18.6915 179.7907 157 I 3.7528 7.4701 118.0237 64.6133 37.2531 178.6581 158 K 3.9105 7.9472 119.6627 59.5007 31.6421 179.2394 159 R 4.1240 7.7906 114.4093 58.0318 29.7823 177.0135 160 E 4.4785 8.0190 118.7231 56.6103 29.6997 176.6347 161 M 4.6971 7.7902 117.4282 55.0146 32.5934 175.5624 162 K 4.6863 7.4310 117.1374 53.8559 36.4005 174.0158 163 P 4.4905 0.0000 0.0000 62.6691 31.7913 177.3095 164 D 4.1166 8.5066 118.8779 56.8392 41.0709 176.6026 *165 A 4.1092 7.2716 126.7577 52.3030 18.8741 176.1203 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 12 V 8.05 4.01 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 0.96 0.00 0.00 0.95 0.00 0.00 13 F 8.13 4.17 0.00 3.08 2.80 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 14 G 9.10 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 15 E 8.48 4.02 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 16 E 8.01 3.82 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 17 Q 7.56 3.62 0.00 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.63 0.00 0.00 0.00 0.00 0.00 1.63 2.03 0.00 18 E 7.71 3.99 0.00 2.20 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 2.33 2.39 0.00 19 A 8.04 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.83 3.96 0.00 1.82 1.73 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.48 3.06 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 0.03 0.00 0.00 0.33 0.00 0.00 22 L 8.25 4.16 0.00 1.75 1.78 0.94 0.57 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 23 K 9.01 4.04 0.00 1.89 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 24 S 8.46 4.27 0.00 4.46 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 0.00 25 W 8.97 4.63 0.00 3.80 3.41 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 26 A 7.98 3.59 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 27 V 7.60 3.59 2.33 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 1.00 0.00 0.00 1.04 0.00 0.00 28 M 8.06 3.87 0.00 1.74 1.90 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.47 0.00 29 K 7.54 3.04 0.00 0.79 1.46 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.13 1.03 7.81 30 K 7.31 4.31 0.00 1.74 1.72 0.00 1.83 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.65 1.50 7.81 31 D 7.43 5.60 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.44 3.86 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 33 A 7.96 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 34 N 7.99 4.38 0.00 2.93 2.88 0.00 0.00 6.56 6.74 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 35 L 8.17 4.10 0.00 1.81 1.76 0.82 0.31 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 36 G 8.31 3.97 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 0.00 0.00 0.00 37 L 7.91 4.03 0.00 1.80 1.87 0.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.51 3.94 0.00 2.08 2.00 0.00 3.20 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 39 F 8.26 4.60 0.00 3.38 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 3.34 0.00 2.75 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.00 4.01 0.00 2.01 1.73 0.95 0.42 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 42 K 7.97 3.96 0.00 1.97 1.96 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.50 7.81 43 V 7.13 3.37 1.02 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 0.68 0.00 0.00 -0.13 0.00 0.00 44 F 7.85 4.62 0.00 3.10 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 45 E 7.90 4.02 0.00 2.09 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 0.00 2.35 2.37 0.00 46 I 7.74 4.09 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.87 0.00 0.00 47 A 8.23 4.68 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 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.51 0.00 2.16 2.11 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 49 S 8.23 4.10 0.00 4.05 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 50 A 8.22 4.19 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 51 K 8.04 3.42 0.00 1.55 1.40 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.76 7.81 52 Q 7.60 3.99 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 53 M 7.54 4.32 0.00 1.58 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 54 F 7.73 4.24 0.00 2.24 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 55 S 8.68 4.14 0.00 3.95 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 56 F 8.28 3.62 0.00 3.05 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 *64 L 7.71 4.28 0.00 1.79 1.67 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.38 4.66 0.00 1.94 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 2.23 2.34 0.00 66 K 7.61 4.35 0.00 1.76 1.80 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 N 7.84 4.33 0.00 2.84 2.80 0.00 0.00 7.06 7.71 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 68 P 0.00 4.23 0.00 2.12 2.05 0.00 3.58 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 2.06 2.15 0.00 69 K 7.76 3.77 0.00 1.31 1.74 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.12 7.81 70 L 8.12 3.86 0.00 1.80 1.83 0.64 -0.21 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 71 K 7.73 3.93 0.00 1.96 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.53 7.81 72 T 8.26 3.89 4.41 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 1.24 0.00 0.00 73 H 8.56 4.01 0.00 3.25 3.19 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.80 4.06 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 0.00 0.00 75 M 8.57 4.45 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.15 0.00 76 S 8.03 4.13 0.00 4.00 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 77 V 7.71 3.69 2.54 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 1.40 0.00 0.00 1.23 0.00 0.00 78 F 8.19 4.12 0.00 3.28 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 0.00 0.00 0.00 0.00 79 V 8.35 3.30 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 1.06 0.00 0.00 1.08 0.00 0.00 80 M 8.53 4.15 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 81 T 8.13 3.90 4.73 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 1.50 0.00 0.00 82 C 7.96 3.84 0.00 3.00 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 83 E 8.11 3.91 0.00 2.12 1.96 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 2.32 2.47 0.00 84 A 8.30 3.84 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 85 A 7.88 3.32 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 86 A 7.77 4.40 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 87 Q 8.34 3.96 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 88 L 7.92 3.91 0.00 1.01 1.34 0.29 0.76 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 89 R 7.55 4.65 0.00 2.05 2.17 0.00 3.30 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 90 K 8.06 4.02 0.00 1.87 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.50 7.81 91 A 8.34 4.48 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 92 G 9.20 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.08 4.33 0.00 1.92 1.73 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.32 7.81 94 V 8.15 3.78 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 0.85 0.00 0.00 0.85 0.00 0.00 95 T 9.48 4.50 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 1.24 0.00 0.00 96 V 7.89 3.51 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 0.80 0.00 0.00 0.95 0.00 0.00 97 R 8.69 3.84 0.00 1.85 1.89 0.00 3.36 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 98 E 9.04 3.91 0.00 2.02 1.96 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 2.38 2.37 0.00 99 T 7.81 3.95 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 1.21 0.00 0.00 100 T 7.75 3.91 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 1.22 0.00 0.00 101 L 8.18 4.01 0.00 1.84 1.70 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.99 4.03 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.64 7.81 103 R 8.04 3.94 0.00 1.92 2.09 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 104 L 8.23 4.19 0.00 1.94 1.79 0.94 0.83 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 0.00 105 G 8.70 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 0.00 106 A 8.17 4.05 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 0.00 107 T 8.08 3.92 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 1.19 0.00 0.00 108 H 8.39 4.41 0.00 3.43 3.44 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.99 4.06 0.00 1.99 1.69 0.97 0.68 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 0.00 110 R 7.82 3.80 0.00 2.01 2.08 0.00 3.06 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 111 Y 8.01 4.09 0.00 2.85 2.80 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 0.00 112 G 7.76 3.66 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 0.00 0.00 0.00 113 V 7.76 3.60 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 0.01 0.00 0.00 0.87 0.00 0.00 114 A 8.57 4.64 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 0.00 115 D 8.76 4.70 0.00 2.80 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 0.00 116 G 8.05 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 0.00 117 H 8.04 4.21 0.00 3.27 3.26 0.00 5.83 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 0.00 118 F 8.19 4.44 0.00 3.43 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.67 4.13 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 2.45 2.69 0.00 120 V 8.08 3.65 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 1.02 0.00 0.00 0.95 0.00 0.00 121 T 8.08 3.87 4.61 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 1.30 0.00 0.00 122 G 8.15 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 0.00 0.00 0.00 123 F 8.38 4.07 0.00 3.13 3.19 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 0.00 124 A 8.73 3.88 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 0.00 125 L 8.44 2.70 0.00 1.09 1.43 -0.39 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.51 3.85 0.00 1.68 1.76 1.00 1.06 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 0.00 127 E 7.54 3.57 0.00 1.81 1.72 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 1.49 1.78 0.00 128 T 7.64 3.77 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 1.29 0.00 0.00 129 I 7.36 3.58 1.71 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.41 0.83 0.00 0.00 130 K 7.17 2.63 0.00 0.79 1.17 0.00 1.12 0.00 0.00 1.24 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.69 0.21 7.81 131 E 7.59 3.90 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 132 A 7.45 4.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 6.61 4.76 0.00 1.79 1.66 0.98 1.30 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 0.00 134 P 0.00 4.38 0.00 2.41 2.19 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 135 A 8.77 4.14 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 0.00 136 D 8.06 4.52 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.91 4.30 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 138 W 7.56 4.84 0.00 3.30 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 6.60 4.28 0.00 3.88 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 0.00 140 L 7.92 3.70 0.00 1.68 1.60 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.92 3.86 0.00 1.98 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 2.32 2.35 0.00 142 M 7.69 3.96 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.84 0.00 143 K 7.29 3.90 0.00 1.01 1.65 0.00 2.08 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.66 7.81 144 K 8.17 4.05 0.00 1.96 1.84 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 145 A 8.05 4.01 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 0.00 146 W 8.34 4.14 0.00 3.55 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 0.00 147 A 8.52 4.19 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 0.00 148 E 8.55 3.93 0.00 2.30 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 0.00 2.59 2.42 0.00 149 A 8.13 3.72 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 0.00 150 Y 8.46 4.00 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.45 4.08 0.00 4.18 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 0.00 152 Q 8.24 3.93 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 153 L 7.66 3.83 0.00 1.73 1.61 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.46 3.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.26 0.00 0.00 155 A 7.84 3.79 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 0.00 156 A 7.73 3.90 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 0.00 0.00 0.00 0.00 0.00 157 I 7.47 3.75 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.97 0.00 0.00 158 K 7.95 3.91 0.00 1.78 1.80 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.12 7.81 159 R 7.79 4.12 0.00 1.97 2.16 0.00 3.02 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 160 E 8.02 4.48 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 161 M 7.79 4.70 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.78 0.00 162 K 7.43 4.69 0.00 1.69 1.65 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.44 7.81 163 P 0.00 4.49 0.00 2.21 2.18 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 164 D 8.51 4.12 0.00 2.68 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 *165 A 7.27 4.11 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 * Residues marked with a * may have inaccurate shift predictions.