NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4507 8.1627 120.6131 55.4937 35.1205 174.9518 2 V 4.0034 7.7133 118.7346 62.5485 31.5662 174.4632 3 I 4.2050 9.3178 131.8214 63.7387 38.2941 175.8297 4 A 4.6499 7.7040 121.3129 51.0261 22.5788 174.8225 5 T 4.8617 8.4390 117.5807 61.7344 71.0442 173.8339 6 I 4.4790 8.6956 127.2809 59.2179 40.1434 175.1401 7 Q 4.5395 8.7634 126.6399 55.8493 29.1554 177.4715 8 A 4.5452 9.2241 126.2270 54.5235 18.5804 178.7810 9 E 4.2559 8.5614 111.8994 58.5820 30.2668 176.4324 10 D 4.8400 8.1062 120.8613 54.5280 41.1539 176.3102 11 H 4.6585 7.9353 114.1738 55.1175 29.8853 175.4867 12 S 4.4568 8.5650 116.7791 60.8984 63.8014 173.7806 13 Q 4.8363 7.9755 120.0380 55.0397 32.7233 172.9406 14 Q 4.3941 8.0225 119.7989 55.1681 32.1570 173.3492 15 S 3.9010 7.6958 113.8021 57.6258 65.3086 174.8185 16 G 4.2212 9.4136 114.7337 46.4199 0.0000 172.0869 17 T 4.8519 8.0233 109.1205 59.8411 72.0744 173.0809 18 Q 4.6946 8.6201 121.3821 54.4807 32.7153 173.9760 19 Q 4.9976 8.7421 123.4511 56.2484 30.3034 174.4113 20 E 4.8364 8.9039 116.9465 55.2453 33.4912 174.4457 21 T 4.4923 8.5737 117.7141 64.1806 69.1142 173.6861 22 T 4.8612 8.4725 120.6233 60.5856 69.4946 174.1018 23 T 4.4617 8.6381 115.9787 61.2735 69.6132 174.2375 24 D 4.4597 7.8545 122.6437 54.2885 41.6679 175.5639 25 T 3.9889 8.3204 118.9459 65.7705 68.6332 174.7246 26 G 3.9113 8.8178 114.8594 43.8962 0.0000 175.5278 27 G 3.6490 8.6493 108.0769 48.5306 0.0000 172.5012 28 G 4.0331 8.8502 107.0656 45.2901 0.0000 172.6044 29 K 5.2827 8.3701 122.6550 54.4845 36.3314 174.7938 30 N 5.2799 9.2056 119.1121 50.9601 41.4624 173.2909 31 V 4.2651 8.9038 120.3407 62.5999 33.2280 175.2453 32 G 4.0130 8.8670 114.4716 44.6141 0.0000 170.9930 33 Y 3.3837 6.9432 113.2241 58.8174 35.3399 171.2214 34 I 4.2516 6.7917 119.4358 60.0178 39.1810 175.5249 35 D 4.9545 8.8114 123.2035 51.8883 45.1101 174.6380 36 A 4.3595 8.5578 123.2210 54.3816 18.4951 177.2390 37 G 4.1950 8.9423 111.5081 45.5575 0.0000 173.9963 38 D 4.7832 8.1427 119.2670 54.4660 42.1516 175.5350 39 W 5.7128 8.1345 116.4637 55.7696 32.3064 173.2254 40 L 4.9781 9.5154 120.2751 53.0969 45.2290 175.5179 41 S 4.9914 9.2568 118.7864 56.2636 65.1208 173.9610 42 Y 4.9198 8.7336 124.2739 57.6301 38.5131 178.0254 43 A 4.0319 7.9860 125.7061 55.1634 18.5637 180.4116 44 G 3.8204 8.2399 104.1908 47.7211 0.0000 174.0826 45 T 4.6010 7.5621 109.9032 58.5793 68.2514 171.5630 46 P 4.5816 0.0000 0.0000 63.4737 32.8098 175.6434 47 V 4.4367 8.6249 122.8278 61.1146 34.3516 173.7266 48 N 5.1196 8.7869 126.3425 52.7226 40.1960 173.7919 49 I 4.3599 8.7803 128.0870 59.0774 38.3703 175.2715 50 P 4.5116 0.0000 0.0000 65.2328 31.7729 176.5739 51 S 4.7254 7.6258 109.9432 56.6579 65.8815 174.1479 52 S 4.6427 8.6150 118.7806 57.9170 63.7578 175.6070 53 G 3.7472 7.9120 110.6734 45.6267 0.0000 170.6648 54 S 4.8678 8.0490 116.6815 58.1695 63.2787 174.5757 55 Y 4.6561 9.1257 124.2714 55.9977 42.1045 174.0877 56 L 4.9162 8.7827 124.8806 53.8964 44.0758 175.0227 57 I 4.5482 8.7254 127.9910 59.6201 39.2226 174.5331 58 E 5.1229 8.8999 126.7751 54.7080 32.7236 174.6831 59 Y 4.8380 8.8510 120.2223 56.1990 42.1965 174.5217 60 R 4.4194 8.2503 125.2400 55.1896 30.8015 175.3813 61 V 5.4697 9.0663 119.6482 59.7461 36.3756 174.7849 62 A 4.5715 8.3586 122.4394 49.6587 22.8690 175.4620 63 S 4.3554 8.5196 115.1755 57.3299 65.7576 174.9565 64 Q 3.3866 7.0181 128.8004 58.6091 28.7713 176.3820 65 N 4.5996 7.3640 110.4683 51.7945 40.1840 175.8842 66 G 3.6755 8.2468 108.1712 44.8650 0.0000 173.8873 67 G 3.8947 7.9523 104.2723 44.9325 0.0000 174.0474 68 G 4.2430 7.6426 107.1582 46.5476 0.0000 172.7638 69 S 4.9989 8.4787 113.6267 56.9992 66.8164 173.1507 70 L 5.3945 8.4615 120.3583 54.5719 44.5335 174.9315 71 T 5.1269 9.0541 116.5269 61.8331 71.5145 172.9078 72 F 5.5463 9.4576 129.6159 56.9105 41.4597 174.5054 73 E 4.5543 8.4449 122.8963 55.3920 33.4019 173.7248 74 E 4.5837 8.5608 118.5630 55.4852 30.9408 176.9513 75 A 4.0045 8.7153 126.4890 54.1216 18.8407 177.5602 76 G 3.8271 8.3280 110.5452 44.6267 0.0000 174.0007 77 G 3.9810 7.3927 105.9297 44.7839 0.0000 173.7419 78 A 4.8339 7.4214 120.1606 49.6607 22.2797 174.4389 79 P 4.4055 0.0000 0.0000 62.6877 33.0069 175.5094 80 V 4.0577 8.2052 121.5126 63.2776 31.8243 175.1505 81 H 4.8131 8.9726 124.9902 57.2438 30.2384 175.2163 82 G 4.3023 7.4360 103.3560 46.2800 0.0000 172.1087 83 T 5.3413 8.6250 109.3210 60.0335 72.2988 173.1848 84 I 4.4776 8.1751 121.4601 59.6125 41.8270 173.5604 85 A 4.5658 8.4550 130.7678 51.6090 19.0152 176.5458 86 I 4.1591 8.0847 123.1278 58.7814 38.9235 174.0350 87 P 4.6652 0.0000 0.0000 61.6813 32.6236 176.0996 88 A 4.0739 8.4208 124.0738 52.6553 18.7105 177.6860 89 T 4.2804 8.5449 111.5936 60.6810 70.1754 175.3011 90 G 3.8808 8.4458 109.3995 44.7904 0.0000 173.3878 91 G 3.7640 6.9620 107.5446 44.8033 0.0000 174.4306 92 W 4.3535 8.5623 119.4442 58.8359 29.1684 177.0690 93 Q 4.3574 7.8270 116.7065 55.7396 29.6464 175.1139 94 T 4.4072 7.2929 115.4845 61.8145 69.4205 173.6743 95 W 5.1619 8.5417 126.3422 55.4774 31.4224 175.4994 96 T 4.7711 9.0167 116.5448 61.1989 71.1857 172.1945 97 T 5.0088 8.4990 121.9811 61.8550 70.2129 174.1535 98 I 4.7153 8.5237 120.2257 59.4563 40.8208 174.3956 99 Q 5.3135 8.3525 119.5036 55.6524 31.5929 172.8413 100 H 5.1163 9.2844 115.4848 54.9030 32.6568 171.8689 101 T 5.1177 8.3973 108.6339 60.4000 70.8788 174.0294 102 V 4.6417 8.5262 115.3549 59.8611 36.7781 173.6184 103 N 5.3157 8.7661 120.8025 52.8743 40.2036 174.1858 104 L 5.0512 9.0932 125.2658 52.7620 45.8130 176.3163 105 S 4.7823 8.8893 117.3398 57.8802 64.0787 173.8786 106 A 4.1946 8.5126 123.9659 53.3958 19.2121 176.2957 107 G 3.5929 8.7214 105.3875 43.8846 0.0000 172.0511 108 S 4.8110 8.4346 114.2947 58.0617 63.0615 174.0690 109 H 4.7190 9.1203 124.5716 53.9571 31.8345 173.6605 110 Q 4.6436 8.5403 120.9795 54.2895 30.6670 175.2032 111 F 5.2495 8.6517 123.2109 56.9907 41.3246 175.1618 112 G 4.7278 9.2407 106.8437 45.1191 0.0000 171.5865 113 I 5.4942 9.3324 121.8097 59.1920 40.8916 174.4159 114 K 5.1770 9.1983 127.8851 54.5464 34.9125 174.5970 115 A 5.0340 9.3684 130.3088 52.0044 19.0651 177.6025 116 N 4.7311 9.2497 120.5295 55.0243 39.8237 175.7161 117 A 4.6735 7.9779 119.0685 50.7904 22.8124 177.1815 118 G 4.2730 8.0386 109.7521 44.4677 0.0000 175.0794 119 G 4.4397 10.0119 112.8020 44.7646 0.0000 172.7541 120 W 5.6986 7.4476 114.5099 54.9691 31.8005 173.6734 121 N 5.2860 9.7459 117.6759 51.4530 41.9920 173.5124 122 L 5.4185 8.8692 122.6226 54.0819 44.9470 176.1207 123 N 4.5386 9.6450 125.9868 55.2412 40.2998 174.3826 124 W 5.6488 7.1933 113.2949 55.7159 31.6440 172.7892 125 I 5.1491 9.1481 113.8400 59.2067 40.7021 174.3794 126 R 5.0213 8.8735 123.6252 54.8028 33.8000 173.5136 127 I 4.8135 8.7939 126.9900 59.6643 39.6472 174.4202 128 N 5.5700 9.1338 123.8802 51.0445 42.5079 174.4442 129 K 4.3330 9.1435 121.9558 56.9160 32.4853 177.1192 130 T 4.1180 8.1908 113.0686 63.1207 70.4482 174.9697 *131 H 4.5154 8.0827 122.9246 54.7051 28.6959 177.9736 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 1 M 8.16 4.45 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 2 V 7.71 4.00 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 0.74 0.00 0.00 0.94 0.00 0.00 3 I 9.32 4.20 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.96 0.00 0.00 4 A 7.70 4.65 1.23 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 5 T 8.44 4.86 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 0.80 0.00 0.00 6 I 8.70 4.48 1.70 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 1.23 0.81 0.50 0.00 0.00 7 Q 8.76 4.54 0.00 2.24 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 8 A 9.22 4.55 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 9 E 8.56 4.26 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 10 D 8.11 4.84 0.00 3.01 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 11 H 7.94 4.66 0.00 3.29 2.79 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.57 4.46 0.00 3.96 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 13 Q 7.98 4.84 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 14 Q 8.02 4.39 0.00 1.73 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.47 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 15 S 7.70 3.90 0.00 2.72 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 16 G 9.41 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 0.00 0.00 0.00 0.00 17 T 8.02 4.85 4.32 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 1.08 0.00 0.00 18 Q 8.62 4.69 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 19 Q 8.74 5.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 20 E 8.90 4.84 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 21 T 8.57 4.49 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 1.25 0.00 0.00 22 T 8.47 4.86 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 1.13 0.00 0.00 23 T 8.64 4.46 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 1.30 0.00 0.00 24 D 7.85 4.46 0.00 1.58 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 0.00 0.00 0.00 25 T 8.32 3.99 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 1.23 0.00 0.00 26 G 8.82 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 27 G 8.65 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 28 G 8.85 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 0.00 0.00 0.00 29 K 8.37 5.28 0.00 1.64 1.80 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.37 7.81 30 N 9.21 5.28 0.00 3.10 2.92 0.00 0.00 6.89 7.25 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 31 V 8.90 4.27 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 0.86 0.00 0.00 1.08 0.00 0.00 32 G 8.87 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 33 Y 6.94 3.38 0.00 3.02 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 34 I 6.79 4.25 1.12 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.92 0.23 0.00 0.00 35 D 8.81 4.95 0.00 2.63 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 36 A 8.56 4.36 1.32 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 0.00 0.00 37 G 8.94 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 38 D 8.14 4.78 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.13 5.71 0.00 3.53 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 40 L 9.52 4.98 0.00 1.77 1.42 1.15 0.83 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 41 S 9.26 4.99 0.00 3.99 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 42 Y 8.73 4.92 0.00 3.49 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 43 A 7.99 4.03 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 44 G 8.24 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 45 T 7.56 4.60 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 1.30 0.00 0.00 46 P 0.00 4.58 0.00 1.93 2.02 0.00 3.64 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 2.01 2.07 0.00 47 V 8.62 4.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.11 0.00 0.00 48 N 8.79 5.12 0.00 2.77 2.71 0.00 0.00 7.04 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 49 I 8.78 4.36 2.05 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 1.21 0.45 0.64 0.00 0.00 50 P 0.00 4.51 0.00 2.24 2.23 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 51 S 7.63 4.73 0.00 4.06 3.88 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 52 S 8.61 4.64 0.00 3.94 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 53 G 7.91 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 54 S 8.05 4.87 0.00 3.86 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 55 Y 9.13 4.66 0.00 2.99 2.83 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 56 L 8.78 4.92 0.00 1.73 1.51 0.97 1.17 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 57 I 8.73 4.55 1.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.60 -0.26 0.00 0.00 58 E 8.90 5.12 0.00 1.89 1.86 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 2.23 2.22 0.00 59 Y 8.85 4.84 0.00 2.75 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 60 R 8.25 4.42 0.00 0.67 0.66 0.00 3.03 0.00 0.00 2.75 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.22 0.00 61 V 9.07 5.47 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 0.69 0.00 0.00 0.88 0.00 0.00 62 A 8.36 4.57 -0.13 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 63 S 8.52 4.36 0.00 3.84 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 64 Q 7.02 3.39 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.58 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 65 N 7.36 4.60 0.00 2.60 2.71 0.00 0.00 6.90 7.65 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 66 G 8.25 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.95 3.89 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 0.00 0.00 0.00 68 G 7.64 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 0.00 0.00 0.00 0.00 69 S 8.48 5.00 0.00 3.72 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 70 L 8.46 5.39 0.00 1.98 1.69 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.05 5.13 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 1.30 0.00 0.00 72 F 9.46 5.55 0.00 3.25 3.13 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 73 E 8.44 4.55 0.00 2.05 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 0.00 2.37 2.25 0.00 74 E 8.56 4.58 0.00 2.01 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 2.28 2.37 0.00 75 A 8.72 4.00 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 76 G 8.33 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 77 G 7.39 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 78 A 7.42 4.83 1.14 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 79 P 0.00 4.41 0.00 2.13 2.19 0.00 3.65 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 2.09 1.98 0.00 80 V 8.21 4.06 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 0.86 0.00 0.00 0.96 0.00 0.00 81 H 8.97 4.81 0.00 3.36 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.44 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 0.00 0.00 0.00 0.00 83 T 8.62 5.34 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 84 I 8.18 4.48 1.42 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 0.89 1.05 0.23 0.00 0.00 85 A 8.46 4.57 1.12 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 0.00 0.00 86 I 8.08 4.16 1.28 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 0.35 0.25 0.65 0.00 0.00 87 P 0.00 4.67 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 88 A 8.42 4.07 1.13 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 89 T 8.54 4.28 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 1.10 0.00 0.00 90 G 8.45 3.88 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 0.00 0.00 0.00 91 G 6.96 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.56 4.35 0.00 3.23 3.18 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 93 Q 7.83 4.36 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 94 T 7.29 4.41 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 1.23 0.00 0.00 95 W 8.54 5.16 0.00 3.28 3.13 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 96 T 9.02 4.77 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 1.18 0.00 0.00 97 T 8.50 5.01 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 1.23 0.00 0.00 98 I 8.52 4.72 1.83 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.85 0.00 0.00 99 Q 8.35 5.31 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 100 H 9.28 5.12 0.00 3.23 3.38 0.00 5.25 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 0.00 101 T 8.40 5.12 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 1.20 0.00 0.00 102 V 8.53 4.64 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 0.74 0.00 0.00 1.05 0.00 0.00 103 N 8.77 5.32 0.00 2.79 2.77 0.00 0.00 6.78 7.78 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 0.00 104 L 9.09 5.05 0.00 1.49 1.33 0.76 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.89 4.78 0.00 3.91 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 0.00 106 A 8.51 4.19 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 0.00 107 G 8.72 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.43 4.81 0.00 3.85 3.71 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 0.00 109 H 9.12 4.72 0.00 2.42 1.78 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.54 4.64 0.00 1.89 1.98 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 2.36 2.20 0.00 111 F 8.65 5.25 0.00 3.28 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 0.00 112 G 9.24 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 0.00 0.00 0.00 0.00 113 I 9.33 5.49 2.29 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.40 1.27 0.00 0.00 114 K 9.20 5.18 0.00 1.95 1.74 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.52 7.81 115 A 9.37 5.03 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 0.00 0.00 0.00 0.00 0.00 116 N 9.25 4.73 0.00 2.69 2.93 0.00 0.00 6.80 6.92 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 0.00 117 A 7.98 4.67 1.32 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 0.00 0.00 118 G 8.04 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 0.00 0.00 0.00 0.00 119 G 10.01 4.44 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 0.00 120 W 7.45 5.70 0.00 3.49 2.96 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 0.00 121 N 9.75 5.29 0.00 2.55 3.12 0.00 0.00 6.75 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 0.00 122 L 8.87 5.42 0.00 2.22 1.70 1.30 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 123 N 9.65 4.54 0.00 1.72 2.06 0.00 0.00 6.31 7.75 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 0.00 124 W 7.19 5.65 0.00 3.45 3.23 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 0.00 125 I 9.15 5.15 1.57 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.07 1.05 0.00 0.00 126 R 8.87 5.02 0.00 1.86 1.85 0.00 3.13 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 127 I 8.79 4.81 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.34 0.88 0.00 0.00 128 N 9.13 5.57 0.00 2.57 2.65 0.00 0.00 6.64 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 9.14 4.33 0.00 1.58 1.64 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.50 7.81 130 T 8.19 4.12 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 1.12 0.00 0.00 *131 H 8.08 4.52 0.00 2.70 2.92 0.00 5.87 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.