NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 E 4.0390 8.4029 121.4746 55.4902 31.8202 177.6764 30 K 4.2106 7.8074 122.5100 58.1501 32.2367 182.8274 31 G 3.7838 8.8478 106.0292 48.4922 0.0000 174.8952 32 Y 4.0365 8.2102 119.1561 60.7856 38.0036 178.2792 33 Q 3.9429 7.9372 119.7046 59.5756 29.1273 178.8730 34 S 4.1585 7.9836 115.7804 61.4568 62.7535 176.7436 35 Q 4.0003 8.0896 120.7080 58.6494 28.5379 177.7588 36 L 3.9415 7.9274 121.4044 58.6240 41.8859 178.2312 37 Y 3.9088 8.0452 118.8099 61.3473 38.5832 178.5128 38 T 4.1404 8.1839 116.2922 66.8574 68.2105 176.4838 39 E 4.0475 8.8349 120.9458 59.6239 29.3835 179.2495 40 M 3.9601 8.4876 119.1674 57.9090 31.9857 178.9365 41 V 3.5905 7.9822 118.9561 65.7171 31.6743 178.0937 42 G 3.7522 7.7981 105.5753 48.1114 0.0000 175.6278 43 I 3.5962 7.2142 122.1452 63.8112 37.0280 178.1011 44 N 4.4540 8.4275 118.1273 56.7802 38.8677 176.3243 45 N 4.3116 8.6184 118.2374 56.8788 38.7495 177.4980 46 I 3.7767 7.8920 120.7016 64.3835 37.1017 178.8574 47 S 4.1479 8.4558 118.8050 61.9007 62.6029 177.5073 48 K 4.2277 8.8215 126.8902 59.8477 31.5581 180.4788 49 Q 4.1509 8.1107 121.3943 59.3583 28.6419 178.8553 50 F 4.1075 7.9938 119.8277 61.3728 39.5813 176.7948 51 I 3.4721 7.7999 119.2536 64.3476 36.7179 178.4201 52 L 3.9717 7.8512 118.5406 57.3989 41.5733 178.9421 53 K 4.2771 7.8597 115.3076 56.3760 33.6865 176.5659 54 N 4.9721 7.2425 117.2016 51.5743 38.5889 174.1208 55 P 4.2726 0.0000 0.0000 65.0308 32.1859 177.6650 56 L 4.3982 7.6193 116.7060 54.6084 42.1507 176.3618 57 D 4.4700 7.5942 120.1172 54.0302 41.3699 176.6939 58 D 4.6432 8.5422 123.4070 52.7134 41.8690 177.0334 59 N 4.1199 8.6442 117.8316 57.2207 38.5339 177.5925 60 Q 3.9169 8.0646 118.3811 58.9697 28.8573 178.7831 61 T 3.8611 7.9581 116.5641 66.5858 68.5179 176.4749 62 I 3.8917 7.9334 121.8215 64.3701 37.1871 178.1223 63 K 3.4059 7.9435 120.1696 59.7313 31.8617 178.7512 64 S 4.1910 8.1644 115.2694 61.5741 62.6818 177.1239 65 K 3.9069 8.2619 120.9575 59.4166 31.8140 179.2150 66 L 3.9878 8.0033 119.1928 57.9931 41.6816 179.4126 67 E 4.0016 8.7318 118.6585 59.6794 29.3651 179.5902 68 R 3.9304 8.2997 118.8045 59.1080 29.8644 178.3811 69 F 4.1915 8.5613 120.1585 61.3944 39.8890 177.0958 70 V 3.3067 8.1463 118.5694 65.7840 31.1374 177.9598 71 S 4.2509 7.8965 111.8173 60.2453 63.2934 175.2149 72 G 3.7230 7.5998 108.5647 46.4035 0.0000 173.4988 73 Y 3.5906 7.3317 121.7234 57.4668 39.0085 175.3707 74 K 4.2594 7.4576 126.6900 54.8777 32.6719 175.9885 75 M 4.5219 8.2595 124.5685 53.7908 33.8659 175.5511 76 N 4.3416 10.6272 118.1844 53.7695 39.3730 174.0227 77 P 4.2759 0.0000 0.0000 66.1958 31.5817 178.7132 78 K 4.4838 7.8685 116.9754 56.1225 32.5143 182.3799 79 I 4.4457 8.6392 118.4971 64.8154 37.1567 177.6853 80 A 4.1106 8.2222 121.0470 55.6002 17.7730 179.2274 81 E 3.8894 7.8743 116.2030 59.1477 29.7375 178.1355 82 K 4.0630 8.1058 117.2078 56.9594 34.3187 176.5593 83 Y 5.3807 7.5349 115.7170 56.1914 41.6180 174.9540 84 N 5.0025 9.4254 121.0419 51.7087 40.9456 173.8998 85 V 5.0131 8.4802 123.7552 61.2615 33.4736 174.7886 86 S 4.9166 9.5518 121.8127 56.5801 66.8518 172.9562 87 V 4.9260 8.1829 119.8842 60.5411 33.7419 174.5135 88 H 4.8262 8.7348 118.4171 54.4332 33.5724 172.4367 89 F 5.2500 8.6458 118.9320 55.7024 38.4585 175.4476 90 V 3.7713 7.9315 109.6643 62.6555 31.6080 177.4306 *96 R 4.4024 7.8409 117.6129 55.4786 31.5953 174.6761 97 A 4.5532 8.1198 122.0676 50.8434 20.2141 176.0983 98 Y 5.1008 8.1288 120.9175 55.1171 42.1294 174.5522 99 S 5.2198 8.9278 112.9682 56.7368 67.0822 172.7506 100 L 5.2988 9.0588 121.7524 53.2737 44.0986 175.5625 101 V 4.8498 9.3520 123.4289 60.9960 34.8114 174.2716 102 G 4.4165 9.1776 114.8410 44.6183 0.0000 172.1776 103 V 5.1837 8.8981 118.2889 58.6139 36.4762 173.4944 104 P 4.8045 0.0000 0.0000 62.9049 31.7050 176.6386 105 K 4.2430 9.1719 123.5073 56.2022 33.2672 177.0239 106 T 3.7231 8.4793 119.6226 65.5092 68.8191 174.8991 107 G 3.9242 8.7786 111.9889 45.9437 0.0000 174.3970 108 T 3.7604 7.4788 109.6473 61.7671 69.3008 176.3450 109 G 3.9105 8.1699 108.1796 45.8756 0.0000 172.7336 110 Y 5.0164 7.5911 116.3006 56.6758 39.4957 175.1779 111 T 4.7134 9.2168 112.5383 62.4772 71.4489 173.9976 112 L 4.8464 8.1072 120.3706 55.0764 42.6181 176.3508 113 S 4.9223 8.8122 117.0564 57.5399 68.1696 172.6739 114 V 4.9602 8.7233 118.8526 61.8354 35.1726 173.6430 115 W 6.2018 8.8514 121.3082 55.9388 31.8979 173.1125 116 M 4.7096 8.6797 116.9815 54.6547 34.2956 173.3071 117 N 5.4310 9.0379 118.6982 52.1280 40.5984 175.4557 118 S 3.9427 8.1440 113.0011 58.6637 63.4393 175.3929 119 V 4.1217 7.6244 112.8556 61.2194 31.8071 176.1864 120 G 3.8213 8.2077 106.7809 45.6481 0.0000 173.0322 121 D 4.4984 7.8502 120.1531 53.1529 42.2507 175.6536 122 G 4.1495 8.0122 109.7959 43.3149 0.0000 171.2464 123 Y 4.8943 8.8803 122.1208 55.9630 41.9885 174.6174 124 K 4.8248 8.8149 120.5502 55.0224 35.0594 174.9555 125 C 5.5143 9.3170 121.3296 55.5385 43.7945 174.7670 126 R 4.2709 8.3354 117.8362 57.5042 29.9377 175.9771 127 D 5.6090 7.9855 115.5667 49.9270 43.1208 175.6709 128 A 4.4046 8.8963 120.4044 54.5992 18.5564 179.2740 129 A 3.9765 8.1246 118.7506 55.6714 18.2607 179.9461 130 S 4.0770 8.0488 112.9390 61.6237 62.8573 176.4512 131 A 4.2153 7.6274 123.3179 54.9116 17.8882 179.9284 132 R 3.6709 7.8965 116.1159 58.7286 30.2480 178.0705 133 A 4.1626 7.3780 117.9314 51.4251 19.3274 176.5453 134 H 2.5800 7.1965 112.8029 55.7989 26.5068 175.4480 135 L 4.1491 7.6127 118.2536 55.1882 41.9573 177.3976 136 E 4.3282 8.7058 119.7806 56.2997 31.4596 175.2771 137 T 4.8889 7.4433 107.2003 58.7078 72.2300 171.9093 138 L 5.1891 8.3665 120.8771 53.2402 43.3818 176.8988 139 S 4.3996 8.4571 114.3840 57.9893 65.2992 173.7194 *142 V 3.7205 7.5484 120.1056 63.1000 32.0042 174.0874 143 G 4.1854 9.0530 107.4610 44.5716 0.0000 172.1073 144 C 5.4153 8.6877 115.0404 55.5725 46.4913 172.9615 145 E 5.1321 9.0478 116.0575 54.5032 33.0714 175.4583 146 A 3.6395 8.6460 121.5776 52.2870 18.0385 177.4675 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 29 E 8.40 4.04 0.00 1.62 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 1.68 1.47 0.00 30 K 7.81 4.21 0.00 1.88 1.79 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.14 7.81 31 G 8.85 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 0.00 0.00 0.00 32 Y 8.21 4.04 0.00 3.24 3.56 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 33 Q 7.94 3.94 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 34 S 7.98 4.16 0.00 4.06 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 35 Q 8.09 4.00 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 36 L 7.93 3.94 0.00 1.43 1.74 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.05 3.91 0.00 3.14 2.98 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 38 T 8.18 4.14 4.43 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 1.26 0.00 0.00 39 E 8.83 4.05 0.00 2.16 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 2.49 2.58 0.00 40 M 8.49 3.96 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 41 V 7.98 3.59 2.28 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 0.96 0.00 0.00 1.02 0.00 0.00 42 G 7.80 3.75 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 0.00 0.00 0.00 43 I 7.21 3.60 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.04 0.65 0.00 0.00 44 N 8.43 4.45 0.00 2.93 2.95 0.00 0.00 7.22 7.40 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 45 N 8.62 4.31 0.00 2.94 2.91 0.00 0.00 7.10 7.53 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 46 I 7.89 3.78 1.96 0.00 0.00 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 1.60 0.79 0.48 0.00 0.00 47 S 8.46 4.15 0.00 4.04 3.47 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 48 K 8.82 4.23 0.00 1.71 1.81 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 49 Q 8.11 4.15 0.00 2.45 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 50 F 7.99 4.11 0.00 2.96 3.25 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 51 I 7.80 3.47 2.00 0.00 0.00 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 1.56 1.11 0.96 0.00 0.00 52 L 7.85 3.97 0.00 1.75 1.71 0.93 0.85 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 53 K 7.86 4.28 0.00 1.67 1.80 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.59 7.81 54 N 7.24 4.97 0.00 1.99 2.55 0.00 0.00 6.67 8.29 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 55 P 0.00 4.27 0.00 2.14 2.14 0.00 3.75 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 1.94 1.94 0.00 56 L 7.62 4.40 0.00 1.63 1.72 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.59 4.47 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.54 4.64 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 59 N 8.64 4.12 0.00 2.71 2.88 0.00 0.00 6.85 7.94 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 60 Q 8.06 3.92 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 61 T 7.96 3.86 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 1.32 0.00 0.00 62 I 7.93 3.89 2.05 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 1.55 1.17 1.05 0.00 0.00 63 K 7.94 3.41 0.00 1.03 1.76 0.00 1.13 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.08 7.81 64 S 8.16 4.19 0.00 3.90 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 65 K 8.26 3.91 0.00 1.85 1.44 0.00 2.15 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.65 7.81 66 L 8.00 3.99 0.00 2.21 1.83 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.73 4.00 0.00 2.23 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 2.44 2.62 0.00 68 R 8.30 3.93 0.00 1.87 2.14 0.00 3.09 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 69 F 8.56 4.19 0.00 2.80 3.15 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 0.00 0.00 0.00 0.00 70 V 8.15 3.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 71 S 7.90 4.25 0.00 4.05 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.60 3.72 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 0.00 0.00 0.00 73 Y 7.33 3.59 0.00 2.67 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 74 K 7.46 4.26 0.00 1.54 1.59 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.35 7.81 75 M 8.26 4.52 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.81 0.00 76 N 10.63 4.34 0.00 2.91 2.77 0.00 0.00 7.62 7.59 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 77 P 0.00 4.28 0.00 2.23 2.13 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 78 K 7.87 4.48 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.28 7.81 79 I 8.64 4.45 2.09 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 1.55 1.07 1.16 0.00 0.00 80 A 8.22 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.87 3.89 0.00 2.03 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 2.33 2.63 0.00 82 K 8.11 4.06 0.00 1.43 0.80 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.87 7.81 83 Y 7.53 5.38 0.00 2.88 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 84 N 9.43 5.00 0.00 2.67 2.77 0.00 0.00 6.37 7.22 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 85 V 8.48 5.01 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 0.80 0.00 0.00 0.95 0.00 0.00 86 S 9.55 4.92 0.00 3.80 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 87 V 8.18 4.93 1.97 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 0.77 0.00 0.00 0.61 0.00 0.00 88 H 8.73 4.83 0.00 3.01 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.65 5.25 0.00 2.92 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 90 V 7.93 3.77 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 0.56 0.00 0.00 0.88 0.00 0.00 *96 R 7.84 4.40 0.00 1.91 2.11 0.00 3.21 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 97 A 8.12 4.55 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 98 Y 8.13 5.10 0.00 2.69 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 99 S 8.93 5.22 0.00 4.19 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.06 5.30 0.00 1.63 1.61 0.96 1.00 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 0.00 101 V 9.35 4.85 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 0.99 0.00 0.00 0.91 0.00 0.00 102 G 9.18 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 0.00 0.00 0.00 0.00 103 V 8.90 5.18 2.18 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 0.81 0.00 0.00 1.01 0.00 0.00 104 P 0.00 4.80 0.00 2.02 2.04 0.00 3.84 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.59 0.00 105 K 9.17 4.24 0.00 1.57 1.67 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 106 T 8.48 3.72 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 0.00 107 G 8.78 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 0.00 0.00 0.00 108 T 7.48 3.76 3.60 0.00 0.00 0.00 0.00 0.00 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 0.00 109 G 8.17 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.59 5.02 0.00 2.75 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 0.00 111 T 9.22 4.71 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 1.36 0.00 0.00 112 L 8.11 4.85 0.00 1.62 1.62 1.01 0.88 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 0.00 113 S 8.81 4.92 0.00 3.94 3.94 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 0.00 114 V 8.72 4.96 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 0.93 0.00 0.00 0.93 0.00 0.00 115 W 8.85 6.20 0.00 3.51 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 0.00 116 M 8.68 4.71 0.00 1.67 1.97 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 117 N 9.04 5.43 0.00 2.75 2.85 0.00 0.00 6.97 6.60 0.00 0.00 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 S 8.14 3.94 0.00 3.00 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 0.00 119 V 7.62 4.12 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 0.70 0.00 0.00 0.92 0.00 0.00 120 G 8.21 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 0.00 0.00 0.00 121 D 7.85 4.50 0.00 2.62 2.49 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 0.00 122 G 8.01 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.88 4.89 0.00 2.27 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 0.00 124 K 8.81 4.82 0.00 1.71 1.72 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.69 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.44 1.35 7.81 125 C 9.32 5.51 0.00 2.93 3.04 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 0.00 0.00 0.00 126 R 8.34 4.27 0.00 1.77 2.00 0.00 3.13 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 127 D 7.99 5.61 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 0.00 128 A 8.90 4.40 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 0.00 129 A 8.12 3.98 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 0.00 130 S 8.05 4.08 0.00 3.93 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 0.00 131 A 7.63 4.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.67 0.00 1.90 1.92 0.00 3.20 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 133 A 7.38 4.16 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 0.00 134 H 7.20 2.58 0.00 2.74 2.14 0.00 5.86 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.61 4.15 0.00 1.71 1.62 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.71 4.33 0.00 1.96 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 2.05 2.32 0.00 137 T 7.44 4.89 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 1.27 0.00 0.00 138 L 8.37 5.19 0.00 1.66 1.64 1.02 0.85 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 0.00 139 S 8.46 4.40 0.00 3.95 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 *142 V 7.55 3.72 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 0.98 0.00 0.00 0.94 0.00 0.00 143 G 9.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.69 5.42 0.00 3.16 3.28 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 0.00 145 E 9.05 5.13 0.00 2.05 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 2.22 2.27 0.00 146 A 8.65 3.64 0.98 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 * Residues marked with a * may have inaccurate shift predictions.