NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6121 8.2076 120.1911 54.1791 41.6242 175.9083 3 T 3.8570 8.2980 118.9810 63.4378 68.9884 174.7092 4 R 3.8733 8.3523 121.7367 59.0171 30.3109 179.0061 5 K 4.0771 7.7133 117.4867 58.4973 32.2079 177.7214 6 L 4.3790 7.8437 117.4958 54.3738 42.1347 175.8700 7 L 4.5159 7.2495 121.0409 53.0102 43.2387 175.2135 8 L 4.7648 8.3033 126.2971 52.9500 43.2165 177.1134 9 T 4.1467 9.2439 115.3171 61.1036 70.7710 175.0764 10 A 3.9852 8.5686 123.6557 55.5955 18.3128 179.9006 11 Q 3.8925 8.0159 117.3251 59.3931 29.0163 178.0527 12 E 3.9976 7.9789 118.4816 59.5951 29.5617 179.1745 13 I 3.8779 7.7498 118.8426 64.3227 37.2094 178.0156 14 S 4.3768 8.1101 115.4656 61.3288 64.0731 176.9458 15 R 4.1454 7.5373 120.7336 54.5052 26.7983 175.3093 *17 K 4.0410 7.4598 120.4231 55.7692 33.7003 175.4211 18 G 3.9631 8.4813 112.3922 46.0819 0.0000 172.4781 19 E 4.6481 8.8999 122.3491 54.9784 31.3377 175.0610 20 H 4.8741 8.8913 125.1959 56.0101 30.7891 174.3795 21 K 4.6914 9.0427 125.1346 54.4746 35.8413 175.2877 22 V 4.8588 8.1759 123.2796 60.9284 34.1940 174.5735 23 H 4.4565 9.1364 128.7123 56.1022 30.2720 176.3465 24 F 4.3110 9.2077 120.1802 59.0774 37.8375 175.7218 25 L 4.1276 7.2632 118.3832 54.2556 42.4804 175.9193 26 N 4.6749 7.9647 118.0538 51.3200 39.8989 172.8677 27 P 4.2725 0.0000 0.0000 64.6682 31.7628 178.0466 28 G 3.7271 8.6831 106.6520 46.5371 0.0000 173.1928 29 A 5.1681 7.9085 123.9931 49.5617 17.9451 174.7992 30 V 4.8996 7.8757 119.2745 60.7817 34.2227 174.4169 31 R 4.8856 8.8491 122.7427 55.0410 33.8008 173.5217 32 V 4.6909 8.7113 119.8992 61.2503 33.6469 173.6889 33 N 5.2161 9.2926 127.0837 51.6907 41.6397 173.0678 34 K 4.6720 9.0657 125.8634 54.6412 35.0549 175.8855 35 S 4.6135 8.6919 121.0222 57.1446 61.8333 174.0958 36 L 4.0910 8.5938 130.6828 57.4497 41.4732 179.4788 37 G 3.6606 7.9753 105.1908 48.1223 0.0000 175.3231 38 D 4.3522 7.9314 121.4394 56.8481 40.5719 178.6979 39 A 4.0245 7.9087 120.5693 54.3399 18.4448 178.9982 40 V 4.2601 7.4858 107.4653 60.8819 32.5232 176.6988 41 G 4.0372 7.5750 107.5433 44.9664 0.0000 173.9742 42 L 4.1777 7.8300 119.8211 54.7209 42.0245 177.2188 43 R 4.5076 8.4978 119.8829 56.3419 32.8758 175.8295 44 H 4.8702 7.8459 115.4912 55.0380 29.4069 174.3893 *46 G 4.0057 7.9878 104.5692 46.2501 0.0000 172.7757 47 I 5.0963 8.0817 124.4818 59.9713 40.9310 173.8967 48 H 5.3796 9.4152 124.7678 53.7478 32.5804 172.7201 49 L 5.1051 9.0370 125.7117 53.8127 43.3728 175.1464 50 I 5.1287 9.0109 120.4812 59.1978 41.1175 174.4532 51 Q 5.0935 9.0151 122.5178 54.3057 32.0126 174.4150 52 I 4.7141 8.8584 125.4328 59.4614 40.1035 175.4526 53 E 4.5831 8.7589 126.4175 54.7248 31.3216 174.5694 54 P 4.4893 0.0000 0.0000 64.7168 31.6789 177.2110 55 G 3.9491 9.5685 111.7825 44.8222 0.0000 172.7710 56 K 4.8267 7.8844 118.5472 54.6629 36.0753 174.6532 57 E 5.3421 8.8805 120.2627 54.6340 32.8883 177.4726 58 S 4.3743 9.2556 115.9147 60.5469 63.9780 173.6017 59 T 3.9805 7.2854 112.8314 61.8658 69.7439 170.6365 60 E 4.2635 8.2371 124.0790 54.4943 30.4187 174.5038 61 Y 4.3483 8.4440 126.1273 58.1031 39.1446 174.6160 62 H 4.7119 8.0284 121.2868 54.4174 32.8660 172.0769 63 L 4.7505 8.3203 120.5216 53.6234 45.1313 174.8335 64 H 4.9596 8.6803 123.0272 55.5114 30.0642 175.6792 65 H 3.8191 8.9969 119.2375 57.2604 29.1204 175.8563 66 Y 4.5063 8.6226 113.9345 58.5557 40.7205 176.6449 67 E 4.5303 8.4912 118.4165 55.1866 30.7907 175.9949 68 E 4.5308 9.2639 123.9398 56.6216 31.0523 175.4941 69 E 5.2304 8.7399 120.5795 55.3667 33.8956 173.5970 70 A 5.0013 8.9776 124.0669 50.9440 23.5029 175.3644 71 V 4.9207 8.7438 119.2324 61.2439 35.3622 173.7372 72 Y 5.2560 9.3239 128.4898 55.8122 41.9309 174.1554 73 V 3.7819 8.2577 127.6784 62.6616 32.2606 176.1350 74 L 4.4286 8.7491 128.4923 56.7359 42.7973 176.8474 75 S 4.4405 7.9769 110.8888 58.4275 66.5089 175.1922 76 G 4.0601 8.8984 108.4426 45.6440 0.0000 172.4183 77 K 4.8624 8.1537 115.9843 55.0216 36.3709 176.0592 78 G 4.2294 8.8696 108.3336 45.7917 0.0000 171.1919 79 T 5.0824 9.1394 116.1411 61.5583 71.6782 173.4655 80 L 4.8302 9.2008 130.1526 54.6518 43.5221 175.9819 81 T 5.4841 8.9548 123.0864 60.7123 71.9425 174.5173 *83 E 4.3605 8.0905 119.7098 56.8555 30.6586 177.2155 84 N 4.2820 8.4652 112.1760 53.7673 37.5993 174.4429 85 D 4.9314 7.6276 117.3826 52.4895 43.4078 174.8663 86 Q 5.1395 8.0660 120.5576 54.5218 31.0499 174.6982 87 Y 4.9138 9.1147 120.7804 55.3397 42.1753 173.0991 88 P 5.0216 0.0000 0.0000 62.7679 32.5280 175.5281 89 I 4.9839 8.8451 115.7008 59.5980 41.3768 173.9689 90 A 4.9616 9.0338 124.4527 50.4202 23.3451 173.7852 91 P 4.5035 0.0000 0.0000 64.1646 31.6974 177.6244 92 G 3.8328 8.7546 111.7952 44.5459 0.0000 173.5596 93 D 4.6133 7.7725 120.2521 54.1542 42.0759 175.1747 94 F 5.5872 8.7797 123.8412 56.4119 42.6276 174.4061 95 V 4.0316 8.0010 124.3310 59.6771 34.3629 174.5872 96 G 3.9822 7.8866 110.3525 44.2407 0.0000 172.5084 97 F 4.7704 9.0046 120.7619 54.1695 40.9518 172.9617 98 P 4.4077 0.0000 0.0000 62.1695 32.7244 175.6868 99 C 4.1609 8.6781 119.2019 62.0127 28.4518 173.5121 100 H 3.9377 8.6503 118.7488 56.7670 26.7620 175.9481 101 A 4.1782 7.9574 123.4415 54.4251 18.7862 178.8207 102 A 4.7038 7.4127 112.2723 50.9174 21.9547 176.1521 103 A 4.1119 9.2514 125.7758 52.1342 19.2603 176.4390 104 H 5.3531 8.1298 115.8713 54.8857 32.6849 172.2849 105 S 4.7719 9.2787 112.4732 57.3287 66.8945 172.9035 106 I 5.0983 8.4667 121.2582 59.6436 40.2980 174.5999 107 S 5.0058 9.0595 120.7496 56.5491 65.9079 172.5048 108 N 4.9946 9.0947 125.8538 52.1617 39.1945 174.1386 109 D 5.0131 8.5258 125.3222 53.8880 41.7871 177.4998 110 G 4.1696 8.1594 111.1895 44.7800 0.0000 173.7573 111 T 4.4633 8.4497 107.2223 61.2537 70.4318 173.6711 112 E 4.6636 7.7623 120.9228 54.4951 31.6048 175.5035 113 T 4.0106 8.1965 117.1273 64.0078 69.9620 172.9749 114 L 4.8626 9.0387 128.4736 53.8627 43.8793 175.1620 115 V 5.0007 8.8556 126.7114 61.4353 34.2051 174.0712 116 C 5.3461 8.9621 124.1842 58.1484 33.3306 172.7959 117 L 5.0435 9.0656 121.8164 53.7917 43.2357 175.7650 118 V 4.9076 9.0812 124.1462 61.1699 34.1627 174.1934 119 I 5.0973 9.0786 128.7642 59.5905 40.1577 174.8538 120 G 4.5254 9.1115 113.2807 44.7648 0.0000 172.5324 121 Q 4.3884 8.5581 120.4241 55.6997 29.7776 176.4578 122 R 4.6882 8.5157 121.6905 54.8282 31.5805 175.2613 123 L 4.8599 9.1281 124.2361 52.7100 44.2847 177.1978 124 D 4.5456 8.8023 120.8048 56.5680 42.0506 176.1192 125 Q 5.1119 7.8473 116.3101 54.0997 31.7003 174.4932 126 D 4.8381 8.7881 121.4169 53.2128 45.7178 173.7183 127 V 4.7469 8.4823 121.1033 60.9697 35.0534 174.2005 128 V 4.4997 8.5810 127.0774 61.1665 34.6952 173.6428 129 D 4.9236 8.6997 127.8762 53.1528 43.3111 175.2812 130 Y 5.0945 8.4213 120.3403 54.1860 37.9929 174.3902 131 P 4.3583 0.0000 0.0000 65.4713 32.0524 178.7375 132 N 4.4535 8.4365 114.2936 55.4225 38.6503 175.6033 133 Q 4.4136 8.0389 114.5966 54.9527 29.8075 174.6166 134 H 4.1538 7.7744 116.9850 57.3527 29.0351 174.0057 135 K 4.9888 7.8639 114.6741 54.3678 36.7255 175.7731 136 R 4.8467 9.0792 123.1505 54.4238 33.2119 173.8488 137 L 5.0856 8.9063 128.4751 53.7064 44.3834 174.3457 138 Y 4.8254 9.1992 124.8961 56.4895 40.0450 174.5719 139 R 4.6930 8.6851 125.9076 54.5110 32.5364 174.5654 140 N 5.0308 9.1946 124.0529 51.1035 41.8115 174.4960 141 N 4.2756 9.9866 125.5035 54.0784 36.6153 175.1068 142 G 4.1306 8.2465 105.4339 45.2220 0.0000 172.1679 143 E 4.3800 8.3303 121.5838 55.0839 30.1473 174.5522 144 W 5.1625 8.9657 126.3344 55.1364 31.2718 175.0407 145 N 5.0831 9.4815 123.0792 51.4361 40.9736 173.1400 146 L 5.2799 8.7926 126.2343 53.3036 44.2525 175.5901 147 V 4.4882 9.0018 125.9520 60.8868 34.7738 175.7451 148 D 4.8450 8.6650 127.7955 53.8567 41.0309 176.8659 *150 A 4.3273 8.4772 117.2590 51.9301 20.4039 176.9874 151 D 4.7526 8.3182 113.8663 54.1525 41.2146 176.0710 152 I 4.2113 7.5314 121.1445 59.7087 38.1063 175.0859 153 R 4.1708 8.4673 126.5271 54.8491 29.8857 176.0828 154 V 3.9836 8.2305 126.7288 62.0784 30.9418 175.3214 155 L 4.3199 8.3784 128.1203 56.5452 42.2689 177.2155 156 R 4.6266 7.4391 115.8105 55.1385 32.6936 172.9197 157 E 4.8008 8.3719 119.8273 54.0933 33.0613 173.6726 158 P 4.4598 0.0000 0.0000 62.8720 31.6427 175.2868 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 2 D 8.21 4.61 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.30 3.86 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 4 R 8.35 3.87 0.00 1.94 2.10 0.00 3.23 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 5 K 7.71 4.08 0.00 2.08 1.99 0.00 1.96 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 1.45 1.35 7.81 6 L 7.84 4.38 0.00 1.75 1.70 0.92 0.78 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 7 L 7.25 4.52 0.00 1.61 1.69 0.92 0.73 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 8 L 8.30 4.76 0.00 1.65 1.58 0.93 0.94 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 9 T 9.24 4.15 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 1.28 0.00 0.00 10 A 8.57 3.99 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 11 Q 8.02 3.89 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 12 E 7.98 4.00 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 2.35 2.36 0.00 13 I 7.75 3.88 2.03 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 1.54 0.62 0.93 0.00 0.00 14 S 8.11 4.38 0.00 4.02 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 15 R 7.54 4.15 0.00 1.99 1.91 0.00 3.20 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 *17 K 7.46 4.04 0.00 1.75 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 18 G 8.48 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 0.00 0.00 0.00 19 E 8.90 4.65 0.00 2.11 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 2.29 2.27 0.00 20 H 8.89 4.87 0.00 3.16 3.23 0.00 5.67 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 21 K 9.04 4.69 0.00 1.64 1.63 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.49 7.81 22 V 8.18 4.86 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 0.80 0.00 0.00 0.90 0.00 0.00 23 H 9.14 4.46 0.00 3.29 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.21 4.31 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.26 4.13 0.00 0.99 1.26 -0.38 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.96 4.67 0.00 2.87 2.56 0.00 0.00 7.12 7.73 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 27 P 0.00 4.27 0.00 2.07 2.10 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 28 G 8.68 3.73 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 0.00 0.00 0.00 29 A 7.91 5.17 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 30 V 7.88 4.90 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 0.87 0.00 0.00 0.97 0.00 0.00 31 R 8.85 4.89 0.00 2.06 1.98 0.00 2.82 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 32 V 8.71 4.69 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 1.02 0.00 0.00 0.97 0.00 0.00 33 N 9.29 5.22 0.00 2.84 2.65 0.00 0.00 6.58 6.70 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 34 K 9.07 4.67 0.00 1.86 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 35 S 8.69 4.61 0.00 3.99 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 36 L 8.59 4.09 0.00 1.84 1.70 0.94 0.96 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 37 G 7.98 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 38 D 7.93 4.35 0.00 2.66 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 39 A 7.91 4.02 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 40 V 7.49 4.26 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 0.90 0.00 0.00 1.02 0.00 0.00 41 G 7.57 4.04 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 0.00 0.00 0.00 42 L 7.83 4.18 0.00 1.71 1.62 0.92 0.68 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 43 R 8.50 4.51 0.00 1.47 1.76 0.00 3.16 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 44 H 7.85 4.87 0.00 3.07 3.26 0.00 5.65 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 *46 G 7.99 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 0.00 0.00 0.00 47 I 8.08 5.10 1.85 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 1.37 0.65 0.93 0.00 0.00 48 H 9.42 5.38 0.00 3.05 3.28 0.00 5.60 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 49 L 9.04 5.11 0.00 1.79 1.59 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 I 9.01 5.13 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 1.02 0.00 0.00 51 Q 9.02 5.09 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 52 I 8.86 4.71 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.95 0.00 0.00 53 E 8.76 4.58 0.00 1.91 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 2.41 2.30 0.00 54 P 0.00 4.49 0.00 2.04 2.22 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 55 G 9.57 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 0.00 0.00 0.00 56 K 7.88 4.83 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.54 7.81 57 E 8.88 5.34 0.00 1.87 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 2.21 2.21 0.00 58 S 9.26 4.37 0.00 3.87 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.29 3.98 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 1.16 0.00 0.00 60 E 8.24 4.26 0.00 1.61 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.49 0.00 61 Y 8.44 4.35 0.00 2.93 2.88 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 0.00 0.00 0.00 62 H 8.03 4.71 0.00 2.72 3.38 0.00 5.26 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.32 4.75 0.00 1.46 1.27 0.84 1.13 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 64 H 8.68 4.96 0.00 3.10 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.00 3.82 0.00 2.99 2.95 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.62 4.51 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.53 0.00 1.89 1.80 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 2.29 2.43 0.00 68 E 9.26 4.53 0.00 2.01 1.91 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 2.35 2.39 0.00 69 E 8.74 5.23 0.00 2.03 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 0.00 2.31 2.32 0.00 70 A 8.98 5.00 1.18 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 0.00 0.00 71 V 8.74 4.92 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 0.98 0.00 0.00 1.03 0.00 0.00 72 Y 9.32 5.26 0.00 3.26 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.26 3.78 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 0.84 0.00 0.00 0.91 0.00 0.00 74 L 8.75 4.43 0.00 1.73 1.74 1.00 0.91 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 75 S 7.98 4.44 0.00 3.86 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 76 G 8.90 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.15 4.86 0.00 1.59 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 78 G 8.87 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 0.00 0.00 0.00 0.00 79 T 9.14 5.08 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 80 L 9.20 4.83 0.00 1.84 1.86 1.17 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.95 5.48 4.33 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 1.15 0.00 0.00 *83 E 8.09 4.36 0.00 2.14 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 2.38 2.35 0.00 84 N 8.47 4.28 0.00 2.89 2.95 0.00 0.00 6.68 9.28 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 85 D 7.63 4.93 0.00 2.83 2.14 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 86 Q 8.07 5.14 0.00 1.79 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 87 Y 9.11 4.91 0.00 2.87 2.79 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 88 P 0.00 5.02 0.00 2.10 2.07 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 89 I 8.85 4.98 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.94 0.94 0.00 0.00 90 A 9.03 4.96 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 91 P 0.00 4.50 0.00 2.02 2.17 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 92 G 8.75 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 93 D 7.77 4.61 0.00 2.63 2.56 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 94 F 8.78 5.59 0.00 3.19 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 95 V 8.00 4.03 1.84 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 0.64 0.00 0.00 0.32 0.00 0.00 96 G 7.89 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 97 F 9.00 4.77 0.00 2.99 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 98 P 0.00 4.41 0.00 2.07 1.98 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 99 C 8.68 4.16 0.00 2.91 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 0.00 100 H 8.65 3.94 0.00 3.22 3.27 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.96 4.18 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 0.00 102 A 7.41 4.70 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 0.00 103 A 9.25 4.11 0.38 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 0.00 104 H 8.13 5.35 0.00 3.36 3.12 0.00 5.28 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 9.28 4.77 0.00 3.90 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 0.00 106 I 8.47 5.10 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.96 0.00 0.00 107 S 9.06 5.01 0.00 3.86 3.67 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 0.00 0.00 0.00 0.00 108 N 9.09 4.99 0.00 2.82 2.86 0.00 0.00 6.98 8.63 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 0.00 109 D 8.53 5.01 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.45 4.46 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 0.00 112 E 7.76 4.66 0.00 1.97 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 2.23 2.31 0.00 113 T 8.20 4.01 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 1.34 0.00 0.00 114 L 9.04 4.86 0.00 1.74 1.71 0.97 0.68 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 0.00 115 V 8.86 5.00 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 1.01 0.00 0.00 0.95 0.00 0.00 116 C 8.96 5.35 0.00 2.93 2.79 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 0.00 117 L 9.07 5.04 0.00 1.76 1.70 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.08 4.91 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 1.14 0.00 0.00 1.01 0.00 0.00 119 I 9.08 5.10 1.98 0.00 0.00 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 1.23 0.68 0.97 0.00 0.00 120 G 9.11 4.53 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 0.00 0.00 0.00 121 Q 8.56 4.39 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 122 R 8.52 4.69 0.00 1.62 1.89 0.00 3.28 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 123 L 9.13 4.86 0.00 1.45 1.53 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.80 4.55 0.00 2.57 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 0.00 125 Q 7.85 5.11 0.00 1.67 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 126 D 8.79 4.84 0.00 2.76 2.37 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 0.00 127 V 8.48 4.75 1.95 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 0.51 0.00 0.00 1.11 0.00 0.00 128 V 8.58 4.50 1.80 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 0.12 0.00 0.00 0.73 0.00 0.00 129 D 8.70 4.92 0.00 2.43 2.42 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 0.00 130 Y 8.42 5.09 0.00 2.85 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 0.00 131 P 0.00 4.36 0.00 2.45 2.21 0.00 3.76 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 2.00 2.07 0.00 132 N 8.44 4.45 0.00 2.95 2.88 0.00 0.00 6.79 7.69 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 0.00 133 Q 8.04 4.41 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 134 H 7.77 4.15 0.00 3.18 3.36 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.86 4.99 0.00 1.78 1.73 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.58 7.81 136 R 9.08 4.85 0.00 1.67 1.57 0.00 2.83 0.00 0.00 2.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 137 L 8.91 5.09 0.00 2.07 1.70 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.20 4.83 0.00 2.83 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 0.00 139 R 8.69 4.69 0.00 1.15 1.42 0.00 2.76 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.00 140 N 9.19 5.03 0.00 2.59 2.67 0.00 0.00 6.80 6.48 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 0.00 141 N 9.99 4.28 0.00 2.75 2.82 0.00 0.00 7.20 7.56 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 0.00 142 G 8.25 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.33 4.38 0.00 2.07 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 2.36 0.00 144 W 8.97 5.16 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 9.48 5.08 0.00 2.92 2.86 0.00 0.00 6.04 6.33 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 0.00 146 L 8.79 5.28 0.00 1.83 1.69 1.17 1.05 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 0.00 147 V 9.00 4.49 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 1.04 0.00 0.00 1.16 0.00 0.00 148 D 8.66 4.85 0.00 2.76 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 *150 A 8.48 4.33 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 0.00 151 D 8.32 4.75 0.00 2.83 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 0.00 152 I 7.53 4.21 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 1.00 0.00 0.00 153 R 8.47 4.17 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 154 V 8.23 3.98 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 0.93 0.00 0.00 0.97 0.00 0.00 155 L 8.38 4.32 0.00 1.68 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.44 4.63 0.00 1.73 1.76 0.00 3.19 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 157 E 8.37 4.80 0.00 2.05 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 2.17 2.27 0.00 158 P 0.00 4.46 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.