NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2723 8.4449 121.4697 55.9894 30.8094 174.7538 4 R 4.6629 8.2989 124.9379 53.2590 31.9625 173.8965 5 S 4.7014 9.0326 115.4435 57.5999 67.8341 173.0181 6 V 4.8654 8.1639 119.5120 61.2029 34.5971 174.2994 7 V 4.4187 8.7509 127.3906 61.5794 33.5382 173.8139 8 H 5.5584 8.8113 124.7873 54.5962 30.7268 174.1191 9 S 4.8149 9.0292 115.7397 57.5051 66.3660 172.7205 10 T 5.3152 8.6409 121.3747 61.7008 71.1267 173.2892 11 F 5.2423 8.6691 120.0797 55.0975 41.8476 173.7402 12 I 5.1189 8.6412 119.8181 59.7108 40.2836 174.8215 13 I 4.6598 9.2093 127.6522 59.4412 40.1211 173.9777 14 E 5.2733 8.9467 127.5383 54.5437 31.7707 175.0922 15 R 4.6228 9.0242 124.5908 54.3409 34.6802 173.9018 16 L 5.0565 8.1342 121.6499 53.2664 43.8167 175.4468 17 Y 4.9565 8.8800 121.2046 55.3750 40.9449 175.3680 18 P 4.2770 0.0000 0.0000 65.2859 31.9384 176.9496 19 A 4.1946 7.8731 122.1288 50.9427 19.2010 175.0762 20 P 4.7382 0.0000 0.0000 61.5052 32.6954 175.5273 21 P 4.3999 0.0000 0.0000 65.1803 31.0840 178.9196 22 S 4.5551 8.0325 113.6962 60.9637 62.7627 176.7192 23 K 4.0809 8.1782 122.0276 59.0769 31.7121 179.5708 24 V 3.5077 7.7642 118.1421 65.8946 31.5385 177.6644 25 F 4.0669 8.8127 120.9065 61.1809 39.2215 176.6997 26 F 4.0147 8.5890 120.0966 61.4412 38.9866 177.0026 27 A 4.1273 8.0416 118.8065 54.7748 18.1639 178.8397 28 L 4.3439 7.2997 116.5496 55.8707 42.2812 178.2814 29 G 2.0543 7.0867 102.8856 42.4409 0.0000 172.5646 30 N 4.3515 6.9418 120.7193 51.6253 40.0383 175.1954 31 A 4.0746 8.5560 127.9036 55.4593 18.3429 178.8894 32 D 4.2972 8.0060 115.3248 57.4445 41.2481 178.6132 33 A 4.2324 7.7057 120.5258 55.2241 18.5070 179.4898 34 K 2.9956 8.0875 118.5186 59.1839 31.8925 178.8460 35 R 2.8544 7.4556 118.2927 59.0313 29.9606 178.3354 36 R 4.1154 7.5034 116.9060 57.4680 30.1894 177.2157 37 W 4.6715 7.1369 113.2987 56.7052 30.1534 175.5099 38 F 4.1628 6.7437 121.7849 56.7628 36.9846 173.8257 39 T 4.0591 7.4586 119.4774 60.1021 70.5685 172.1176 40 D 4.7515 8.2191 124.0975 52.3081 40.8163 174.9643 41 P 4.2447 0.0000 0.0000 65.6251 31.4839 177.7162 42 D 4.5323 7.9521 116.1387 56.2498 41.3681 176.7694 43 N 4.8437 7.6851 115.9035 52.2870 40.4879 171.2760 44 P 4.8213 0.0000 0.0000 60.6490 33.4614 175.0188 *46 P 4.3427 0.0000 0.0000 62.6617 32.8190 178.7384 47 G 3.7157 8.1835 106.8565 47.8811 0.0000 174.1467 48 R 4.3106 7.7457 116.5048 56.3436 31.0087 176.0473 49 F 4.5851 7.7970 121.8530 58.2413 40.0647 174.2553 50 E 4.0697 7.9203 124.1428 54.8649 34.8486 173.7173 *52 D 4.3951 8.5525 118.3057 54.7656 41.9548 173.9117 53 F 3.9638 8.5182 128.3011 55.7594 38.1362 174.4093 54 R 4.2726 7.0998 119.4435 53.7599 32.1840 175.5108 55 V 3.8804 8.0395 119.5926 64.6749 31.7399 176.4800 56 G 3.9988 9.3067 116.8026 45.0574 0.0000 173.8387 57 G 4.2317 8.1860 107.5504 45.6082 0.0000 173.0067 58 K 5.2263 8.5336 120.4848 54.5117 34.6719 175.4556 59 E 4.8298 9.1281 124.0029 54.4229 33.0911 174.5962 60 V 5.0663 8.6598 125.9767 61.3194 35.0934 173.6409 61 N 5.4752 9.3645 124.0199 52.2385 42.8818 172.6504 62 A 5.1188 8.1302 123.1853 50.3100 22.4377 176.2255 63 G 3.6298 9.1890 108.2062 49.0047 0.0000 173.1656 64 G 3.9216 9.3219 112.9270 43.3671 0.0000 170.6930 65 P 4.2812 0.0000 0.0000 62.2159 31.8574 177.7436 66 K 3.7886 8.7612 121.5098 59.9901 31.9708 177.8454 67 D 4.3739 7.9547 114.9418 54.5634 41.0681 177.0071 68 G 3.9367 8.0396 106.3902 43.8393 0.0000 171.2791 69 P 4.5582 0.0000 0.0000 62.0567 32.5948 176.1756 70 I 3.9511 8.3235 121.5414 61.6969 39.3336 174.0142 71 H 5.5277 9.1127 126.8334 54.5580 30.5330 174.0847 72 V 4.8153 9.0979 123.9793 61.2825 33.8043 173.8396 73 Y 4.9845 9.0957 129.7933 56.6000 40.8371 174.2844 74 T 5.0182 8.5814 122.4746 61.8695 72.1654 172.7795 75 A 5.2088 8.9576 128.6171 50.2716 22.6753 175.0126 76 T 4.8862 8.6383 116.3997 61.6766 72.1564 173.2882 77 Y 4.6137 8.7536 124.9435 58.3816 38.4102 176.4594 78 Q 4.5537 9.3096 122.5566 56.8319 31.6004 175.7398 79 D 4.6566 7.7789 116.2582 53.2966 44.8489 174.4036 80 I 5.1116 8.3744 125.5927 59.7107 41.0706 174.5038 81 V 4.3119 9.0180 127.7603 60.1511 33.7267 173.2042 82 P 3.6227 0.0000 0.0000 64.3309 31.4451 176.1275 83 D 4.0266 6.0500 119.9784 54.7348 38.8271 174.7340 84 Q 4.2836 7.9733 117.0811 57.0683 32.9377 175.3248 85 R 5.2569 7.8146 117.3257 55.0965 34.1466 173.7929 86 I 5.2613 9.2623 126.1042 59.7345 41.3272 174.2308 87 V 5.0592 9.3003 127.7619 61.2064 34.2542 173.8735 88 Y 5.3763 8.6291 125.2883 55.6187 41.7114 174.1226 89 S 5.1625 8.7999 117.0207 57.7239 65.6093 172.4939 90 Y 5.2361 8.6789 119.1213 55.9813 41.5250 173.5564 91 D 5.2947 8.4076 121.0243 51.4311 43.3306 174.1023 *93 L 4.4947 8.3673 116.0313 55.1512 43.7588 176.1160 94 F 5.4270 8.8720 122.9272 56.5775 40.8082 176.1206 95 G 3.8706 8.6587 117.8192 47.2738 0.0000 174.4305 96 E 4.3881 8.9919 123.9587 56.2563 30.0824 175.3643 97 T 4.3874 7.5516 117.3917 61.5903 69.8388 173.8855 98 R 4.3514 8.4483 127.1671 56.2154 30.7761 175.6116 99 I 4.2104 8.0022 126.0225 63.1900 38.9540 175.5557 100 S 4.7739 7.2245 113.3029 57.5317 65.9701 174.7314 101 V 4.3817 8.0415 120.1816 61.3000 34.6923 174.4728 102 S 4.7617 8.5785 122.1962 56.5966 67.8669 172.4697 103 L 4.8411 8.7722 124.4621 53.3395 43.9239 174.8769 104 A 5.0848 8.8018 128.4090 50.3037 22.0221 175.0395 105 T 4.9403 8.8147 117.6770 61.7619 72.3747 172.9835 106 I 5.0377 9.3217 127.2812 59.6887 39.8977 174.5722 107 Q 5.0252 9.2451 126.1256 53.9398 32.0010 174.4780 108 L 5.0814 8.4844 123.4432 53.0071 43.9591 175.9605 109 F 5.0915 9.0768 122.4369 55.1447 42.5527 174.8385 110 A 4.5966 8.7647 123.8774 52.1565 19.3026 177.1593 111 E 4.3772 9.0417 122.4632 54.9240 32.2960 175.4102 112 G 3.7812 8.3817 118.9329 47.3106 0.0000 173.3280 113 E 4.3831 8.9868 123.3459 56.6102 30.5723 176.7329 114 G 4.6578 8.1834 108.7232 45.6534 0.0000 172.4523 115 T 5.2507 9.0589 118.2284 61.8395 73.1411 173.3096 116 R 4.6710 9.4195 126.8220 54.8709 31.8148 174.3477 117 L 5.1071 9.1001 130.1445 53.7603 44.2303 175.1829 118 V 4.8120 9.0861 126.3401 61.1755 34.3092 173.6462 119 L 5.2257 9.2349 131.1661 53.7088 44.3612 174.9001 120 T 5.0215 8.9998 123.4765 61.7369 71.5818 172.9866 121 E 4.7572 8.4482 125.6338 54.4895 32.8354 174.9604 122 Q 4.7489 9.0718 124.9263 54.4229 30.4755 174.8484 123 G 4.0942 9.2617 112.1228 43.9668 0.0000 171.1726 124 A 4.7156 8.5392 124.4253 49.9431 21.4426 175.1419 125 F 4.7492 9.1301 122.0042 56.7699 41.0457 175.3047 126 L 4.7594 8.8033 124.4756 53.7640 43.4927 176.7631 127 D 4.3810 9.8204 123.9078 55.3834 38.9542 174.7553 128 G 3.9126 8.3867 103.7737 46.5273 0.0000 175.2264 129 H 4.4761 8.2536 117.2086 57.6138 28.9319 174.4111 130 D 4.7247 7.6190 116.8634 52.4082 44.2668 174.1259 131 T 4.3376 7.8341 110.9956 58.2157 72.9914 172.7208 132 P 3.7491 0.0000 0.0000 65.9530 31.3778 179.0875 133 S 3.9979 7.7827 112.9947 61.9090 62.7640 176.7603 134 T 3.8694 7.5904 117.8497 66.5773 68.1101 176.7117 135 R 4.0524 8.0476 120.5954 59.4784 30.2152 178.0781 136 E 2.7188 8.0782 119.2623 59.0340 29.4288 178.1939 137 H 4.1187 8.2429 118.3193 59.3118 29.9728 177.4687 138 G 3.7224 8.3731 107.5442 48.2487 0.0000 175.8144 139 T 4.2115 8.5549 118.7279 66.2116 68.4683 177.0153 140 G 3.6502 8.2033 107.8345 47.8234 0.0000 175.8522 141 V 3.6438 7.7692 120.7753 65.7591 31.5479 178.1208 142 L 4.2008 8.1514 118.7051 57.9374 41.4949 179.5522 143 L 4.1363 8.2990 118.8469 57.6536 41.5120 179.2438 144 D 4.4399 8.3531 119.2526 57.2671 40.7211 178.7208 145 L 4.0892 7.9944 119.6563 57.5777 41.5613 179.1573 146 L 2.5734 7.7616 120.2772 57.6480 41.8446 178.4041 147 D 4.3869 8.1631 117.6195 57.5324 41.2094 178.2006 148 A 4.0014 8.0199 121.1068 55.0718 18.2973 179.3901 149 F 4.0392 8.2407 119.1481 61.4154 39.4491 177.3909 150 L 3.7662 8.0422 118.8643 57.7185 41.1249 179.2289 151 D 4.3004 7.7862 118.1968 57.2248 40.8749 178.6984 152 K 4.0670 7.9483 119.2989 60.1817 32.7093 179.4548 153 T 3.6248 7.7899 117.3122 66.5064 68.0110 176.8111 154 T 3.8604 7.5150 116.8273 66.2011 68.5042 175.7913 155 L 4.2312 7.2892 118.4679 54.7566 42.2119 177.1181 156 E 4.1909 7.1685 119.0276 55.8663 30.2455 176.3633 157 H 4.3222 8.6388 119.7214 56.6069 29.9198 175.1278 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 3 E 8.44 4.27 0.00 1.94 1.92 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 2.18 2.34 0.00 4 R 8.30 4.66 0.00 1.91 1.82 0.00 3.45 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 5 S 9.03 4.70 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 6 V 8.16 4.87 2.03 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 0.53 0.00 0.00 0.90 0.00 0.00 7 V 8.75 4.42 2.17 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 1.00 0.00 0.00 0.95 0.00 0.00 8 H 8.81 5.56 0.00 3.08 3.23 0.00 5.96 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 9 S 9.03 4.81 0.00 4.02 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 10 T 8.64 5.32 4.27 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 1.18 0.00 0.00 11 F 8.67 5.24 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.64 5.12 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.99 0.00 0.00 13 I 9.21 4.66 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.99 0.00 0.00 14 E 8.95 5.27 0.00 2.00 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 2.20 2.50 0.00 15 R 9.02 4.62 0.00 1.47 1.09 0.00 3.19 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 16 L 8.13 5.06 0.00 1.38 1.50 0.89 0.80 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 17 Y 8.88 4.96 0.00 2.86 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 18 P 0.00 4.28 0.00 2.20 2.21 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 19 A 7.87 4.19 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 20 P 0.00 4.74 0.00 2.25 2.33 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 21 P 0.00 4.40 0.00 2.19 2.19 0.00 3.91 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 22 S 8.03 4.56 0.00 4.08 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 23 K 8.18 4.08 0.00 1.96 1.90 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.56 7.81 24 V 7.76 3.51 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 0.93 0.00 0.00 0.94 0.00 0.00 25 F 8.81 4.07 0.00 3.27 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 26 F 8.59 4.01 0.00 3.37 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 27 A 8.04 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.30 4.34 0.00 1.37 1.50 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.09 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 0.00 0.00 0.00 0.00 0.00 0.00 30 N 6.94 4.35 0.00 1.53 1.67 0.00 0.00 6.93 8.03 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 31 A 8.56 4.07 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 32 D 8.01 4.30 0.00 2.66 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 33 A 7.71 4.23 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 34 K 8.09 3.00 0.00 1.56 1.51 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.42 0.47 7.81 35 R 7.46 2.85 0.00 1.98 2.01 0.00 3.35 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 36 R 7.50 4.12 0.00 2.11 2.15 0.00 3.27 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 37 W 7.14 4.67 0.00 3.36 2.91 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 38 F 6.74 4.16 0.00 1.51 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.46 4.06 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 1.15 0.00 0.00 40 D 8.22 4.75 0.00 2.61 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 41 P 0.00 4.24 0.00 2.09 2.12 0.00 3.73 0.00 0.00 3.92 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 42 D 7.95 4.53 0.00 2.62 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 43 N 7.69 4.84 0.00 2.58 2.69 0.00 0.00 7.19 7.42 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 44 P 0.00 4.82 0.00 2.16 2.03 0.00 3.42 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 *46 P 0.00 4.34 0.00 2.21 2.27 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 47 G 8.18 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 48 R 7.75 4.31 0.00 1.79 1.97 0.00 3.36 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 49 F 7.80 4.59 0.00 2.88 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 50 E 7.92 4.07 0.00 1.66 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 *52 D 8.55 4.40 0.00 2.83 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 53 F 8.52 3.96 0.00 2.73 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 54 R 7.10 4.27 0.00 1.91 1.87 0.00 3.01 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 55 V 8.04 3.88 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 0.81 0.00 0.00 0.90 0.00 0.00 56 G 9.31 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 57 G 8.19 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 58 K 8.53 5.23 0.00 1.62 1.69 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.33 7.81 59 E 9.13 4.83 0.00 2.12 1.74 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 2.40 2.31 0.00 60 V 8.66 5.07 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 0.94 0.00 0.00 0.89 0.00 0.00 61 N 9.36 5.48 0.00 2.83 2.29 0.00 0.00 6.67 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 62 A 8.13 5.12 1.17 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 63 G 9.19 3.63 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 0.00 64 G 9.32 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 65 P 0.00 4.28 0.00 2.36 1.91 0.00 3.58 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 66 K 8.76 3.79 0.00 1.71 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 67 D 7.95 4.37 0.00 2.64 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 68 G 8.04 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 0.00 0.00 0.00 69 P 0.00 4.56 0.00 2.25 2.10 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 70 I 8.32 3.95 1.88 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 1.38 1.41 0.95 0.00 0.00 71 H 9.11 5.53 0.00 3.09 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.10 4.82 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 73 Y 9.10 4.98 0.00 3.12 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 74 T 8.58 5.02 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 1.15 0.00 0.00 75 A 8.96 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.64 4.89 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 1.20 0.00 0.00 77 Y 8.75 4.61 0.00 3.22 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 78 Q 9.31 4.55 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 79 D 7.78 4.66 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.37 5.11 1.73 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.33 0.97 0.00 0.00 81 V 9.02 4.31 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 0.93 0.00 0.00 0.94 0.00 0.00 82 P 0.00 3.62 0.00 1.92 1.87 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 83 D 6.05 4.03 0.00 2.63 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 84 Q 7.97 4.28 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 85 R 7.81 5.26 0.00 1.84 1.74 0.00 3.16 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 86 I 9.26 5.26 2.20 0.00 0.00 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 1.44 1.04 1.37 0.00 0.00 87 V 9.30 5.06 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 0.98 0.00 0.00 0.98 0.00 0.00 88 Y 8.63 5.38 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 89 S 8.80 5.16 0.00 3.83 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 90 Y 8.68 5.24 0.00 2.64 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 91 D 8.41 5.29 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 *93 L 8.37 4.49 0.00 1.76 1.90 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.87 5.43 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.66 3.87 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 0.00 0.00 0.00 96 E 8.99 4.39 0.00 1.98 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 2.26 2.33 0.00 97 T 7.55 4.39 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 1.03 0.00 0.00 98 R 8.45 4.35 0.00 1.72 1.79 0.00 3.16 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 99 I 8.00 4.21 1.22 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.06 0.61 0.00 0.00 100 S 7.22 4.77 0.00 3.28 3.70 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 0.00 101 V 8.04 4.38 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 0.62 0.00 0.00 0.79 0.00 0.00 102 S 8.58 4.76 0.00 2.72 3.29 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 0.00 103 L 8.77 4.84 0.00 1.57 1.38 0.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.80 5.08 0.60 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 0.00 0.00 0.00 105 T 8.81 4.94 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 1.25 0.00 0.00 106 I 9.32 5.04 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 1.05 0.00 0.00 107 Q 9.25 5.03 0.00 2.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 108 L 8.48 5.08 0.00 1.55 1.59 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.08 5.09 0.00 2.98 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 0.00 110 A 8.76 4.60 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 0.00 111 E 9.04 4.38 0.00 2.04 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 0.00 2.21 2.30 0.00 112 G 8.38 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 0.00 113 E 8.99 4.38 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 2.30 2.25 0.00 114 G 8.18 4.66 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 0.00 115 T 9.06 5.25 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 1.36 0.00 0.00 116 R 9.42 4.67 0.00 1.91 2.00 0.00 3.43 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 117 L 9.10 5.11 0.00 2.02 1.77 1.07 0.76 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 0.00 118 V 9.09 4.81 2.34 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 1.10 0.00 0.00 1.18 0.00 0.00 119 L 9.23 5.23 0.00 1.85 1.64 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 120 T 9.00 5.02 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 1.15 0.00 0.00 121 E 8.45 4.76 0.00 1.16 1.50 0.00 0.00 0.00 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 2.00 0.00 122 Q 9.07 4.75 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 123 G 9.26 4.09 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 0.00 0.00 0.00 124 A 8.54 4.72 1.07 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 0.00 0.00 125 F 9.13 4.75 0.00 3.05 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 0.00 126 L 8.80 4.76 0.00 1.60 1.56 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 D 9.82 4.38 0.00 2.62 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 0.00 128 G 8.39 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 0.00 129 H 8.25 4.48 0.00 3.21 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.62 4.72 0.00 2.61 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 0.00 131 T 7.83 4.34 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 1.15 0.00 0.00 132 P 0.00 3.75 0.00 2.05 2.15 0.00 3.31 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 133 S 7.78 4.00 0.00 3.78 3.85 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 0.00 134 T 7.59 3.87 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 135 R 8.05 4.05 0.00 2.31 2.34 0.00 3.66 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 136 E 8.08 2.72 0.00 1.16 1.68 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 1.97 1.47 0.00 137 H 8.24 4.12 0.00 3.29 3.47 0.00 5.64 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 0.00 138 G 8.37 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 0.00 139 T 8.55 4.21 4.48 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 1.53 0.00 0.00 140 G 8.20 3.65 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 0.00 0.00 0.00 141 V 7.77 3.64 2.29 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 1.07 0.00 0.00 0.94 0.00 0.00 142 L 8.15 4.20 0.00 2.02 1.88 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.30 4.14 0.00 1.92 1.86 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.35 4.44 0.00 2.95 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 0.00 145 L 7.99 4.09 0.00 2.19 2.02 1.12 0.62 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 0.00 146 L 7.76 2.57 0.00 0.67 1.49 -0.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.16 4.39 0.00 3.16 2.91 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 0.00 148 A 8.02 4.00 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 0.00 149 F 8.24 4.04 0.00 3.06 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 0.00 150 L 8.04 3.77 0.00 1.70 1.57 0.24 1.30 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 0.00 151 D 7.79 4.30 0.00 2.81 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 0.00 152 K 7.95 4.07 0.00 1.93 2.00 0.00 1.34 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.23 7.81 153 T 7.79 3.62 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 1.05 0.00 0.00 154 T 7.51 3.86 4.30 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 1.17 0.00 0.00 155 L 7.29 4.23 0.00 1.68 1.68 0.89 0.85 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 0.00 156 E 7.17 4.19 0.00 2.07 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 0.00 157 H 8.64 4.32 0.00 3.08 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.