NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.6662 8.3093 122.8194 58.2288 40.6436 174.1788 3 E 4.3223 6.6802 122.6869 53.5326 32.2254 172.9225 4 R 3.9098 9.5771 124.0970 58.2641 31.4128 177.0246 5 F 3.9460 9.4483 124.1146 56.5512 37.2026 175.3477 6 D 4.5169 7.3243 118.2071 55.0457 41.6064 177.4751 7 S 4.1482 8.4588 120.8447 61.2766 63.1823 175.2659 8 D 4.4410 8.4158 118.6595 55.5946 40.9142 176.7543 9 R 4.3539 6.9940 118.5691 55.0830 31.5772 176.0560 10 S 4.4810 8.1980 114.7478 57.7089 65.2118 172.9765 11 R 5.0333 7.8066 119.4022 54.7358 33.0784 174.3400 12 Y 5.0229 9.5055 119.2329 56.2955 42.9044 173.8421 13 A 5.5307 8.7111 122.1426 50.1151 21.7677 176.6286 14 S 4.3506 9.1093 117.1675 57.7447 64.6183 174.9590 15 L 3.9898 9.0070 121.1992 58.7653 41.3036 178.9627 16 G 3.7565 8.4170 104.2851 47.9432 0.0000 175.4301 17 V 3.7196 7.6621 119.9682 65.7878 31.6271 178.4286 18 V 3.7498 7.8723 117.0391 64.0940 31.2633 177.4259 19 S 4.5573 7.6422 114.6879 59.0912 63.2379 174.5539 20 S 4.6894 8.0421 113.2350 56.9648 64.3459 173.9225 21 L 4.3640 7.4857 120.2029 51.7264 44.2791 175.0554 22 P 4.3781 0.0000 0.0000 62.2582 33.2870 177.7774 23 S 4.1737 8.6297 116.2112 62.0039 62.6410 177.3766 24 G 3.2501 7.7465 107.6250 47.5645 0.0000 175.6396 25 L 3.8742 7.1102 121.9111 56.9296 41.3335 179.1613 26 I 3.4718 7.2479 119.2156 64.6335 37.0739 177.8491 27 D 4.6047 8.6507 119.8000 57.8600 40.7769 179.2131 28 S 4.1893 8.1776 115.4039 61.7796 62.7905 176.8430 29 I 3.2517 7.2751 121.5604 64.1010 36.7136 178.2889 30 W 4.5029 7.1806 118.9800 60.2116 28.9012 178.6821 31 L 4.1145 8.4972 118.9724 57.5231 40.9633 179.5341 32 I 3.7042 8.4160 120.8238 64.3329 36.9612 178.3176 33 I 3.5976 7.8124 120.7122 64.6375 36.7943 178.2767 34 D 4.3842 8.3717 119.0787 57.1675 40.7387 178.3675 35 L 4.2984 8.1945 118.6861 56.3273 42.1105 177.8808 36 N 4.8090 8.2821 114.5678 53.3918 40.4515 175.1905 37 L 4.2779 7.4838 118.2867 55.8654 43.3956 176.1452 38 K 3.9414 7.7805 118.8889 58.3536 32.3801 177.1406 39 G 4.0198 9.1098 114.1592 45.2487 0.0000 173.8485 40 V 4.1965 7.7655 118.0656 63.4453 33.0456 175.6891 41 I 4.7742 7.2745 110.1575 57.7983 40.5480 172.9886 42 P 4.4653 0.0000 0.0000 62.8885 31.8574 175.5981 43 L 4.9959 8.2310 120.1211 53.0058 44.1475 176.1901 44 N 4.8578 9.3165 120.2564 52.6092 39.4677 175.3171 45 D 4.6255 8.8110 118.6425 55.6327 40.5615 175.8162 46 L 5.5091 8.1158 120.3877 53.1194 44.8701 175.6244 47 L 4.8610 8.7851 124.7341 53.3289 45.8127 174.9289 48 H 5.3012 8.9677 121.2140 54.2864 31.0196 173.8992 49 F 5.4594 9.3922 122.1190 55.8449 42.2208 173.8614 50 D 5.2437 9.3063 124.1282 53.1136 42.8878 175.7609 51 L 4.8363 8.9985 124.1611 53.7294 42.2250 175.9683 52 L 4.7779 9.0165 124.7474 52.9861 44.8929 175.6452 53 N 4.3412 8.3668 120.1804 52.4610 39.6318 174.5667 54 N 4.5821 9.4042 127.5516 52.8039 38.1089 174.0818 55 N 4.0026 9.3253 125.2693 53.8374 36.5071 175.5350 56 G 4.0337 9.3948 106.1347 44.9750 0.0000 173.2020 57 K 5.1881 7.6310 118.2988 54.1924 36.5687 175.6141 58 V 4.5477 8.6772 122.7600 63.3197 32.8419 174.9627 59 T 5.1103 9.1684 124.2056 61.7758 72.0829 172.9532 60 V 4.8306 8.9186 126.1065 61.6179 33.6973 173.8227 61 H 5.0996 9.0788 128.6577 55.3119 30.9808 173.3115 62 F 5.2298 8.7419 127.9565 56.7747 41.8340 174.4044 63 S 3.5457 7.5676 119.1079 57.5818 66.5988 172.3930 64 Q 4.5767 7.6319 115.0396 54.8303 31.2039 174.0015 65 E 3.9292 8.6657 120.7925 57.8424 30.0450 176.3003 66 N 4.2402 8.7531 117.2675 54.0297 36.3213 174.1241 67 S 4.6034 7.5442 109.5945 56.7678 65.4431 173.7315 68 S 4.3317 8.6149 120.4053 58.5418 63.4654 174.1589 69 V 3.8197 7.5888 121.8819 63.0400 31.4313 174.0973 70 E 5.1241 8.5939 129.5559 53.8234 31.9629 174.3914 *72 A 4.4217 8.3951 121.4098 52.9368 20.0104 176.7712 73 I 4.4609 8.9505 123.8182 59.5116 39.9930 174.8979 74 D 4.9001 8.8097 127.5480 54.0365 41.5152 176.0392 75 L 4.8151 8.4037 122.5209 52.1313 44.0798 175.3090 76 P 4.1957 0.0000 0.0000 65.2740 31.9692 177.1371 77 F 4.6512 6.9413 117.9491 57.1561 39.9914 175.0041 78 S 4.8138 8.9165 117.1488 58.9117 62.9649 172.8692 79 Y 4.6629 8.9345 127.1705 56.9652 40.1264 174.7199 80 S 4.2711 6.4289 117.4486 56.3964 65.4005 174.7409 81 T 4.0559 8.3216 115.8540 62.9782 69.0070 175.4169 82 A 4.0289 7.2622 124.8606 54.8979 18.5878 177.6862 83 Y 4.6625 7.0179 113.4755 56.6993 38.6882 173.8964 84 P 4.4879 0.0000 0.0000 62.9460 32.3579 176.4960 85 S 4.6875 8.5901 114.6474 59.8869 64.5896 173.7733 86 R 5.2900 7.8516 115.3649 54.2425 32.4933 174.7100 87 I 4.6649 8.9477 113.6227 59.3853 41.5573 173.9577 88 F 5.9375 9.0973 122.0974 56.0166 42.5294 174.2484 89 A 5.4731 9.1867 122.9934 50.2674 21.8004 175.0273 90 F 5.7796 10.1237 125.2424 56.5475 42.5512 173.3350 91 D 4.7705 8.7262 126.9323 52.3775 41.4422 175.4775 92 D 3.8388 8.1366 125.7129 52.9370 39.9435 177.1946 93 G 4.1743 7.7656 108.0241 45.9409 0.0000 174.4538 94 H 4.8964 8.0543 111.3959 54.5649 30.5231 173.2178 95 R 4.7338 9.1173 121.6252 54.3620 32.6953 173.9424 96 E 5.2667 8.8469 124.8068 55.1268 32.6031 175.1881 97 T 5.4213 9.6774 119.5351 62.3224 73.6395 172.7274 98 I 4.9983 8.9395 126.6762 59.8189 39.0955 174.8905 99 L 5.3629 8.7435 126.0397 53.7819 44.6486 175.1761 100 L 4.4471 9.0641 119.5975 53.0835 42.6696 176.4236 101 P 4.0143 0.0000 0.0000 65.8616 31.2594 177.7736 102 A 4.0780 7.9146 118.6531 54.2727 18.9179 177.6434 103 E 4.3825 8.5453 118.6884 54.8592 28.3540 176.1917 *105 L 4.0994 7.5650 121.6861 54.9953 42.0858 177.4332 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 F 8.31 4.67 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 6.68 4.32 0.00 2.13 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 2.02 2.15 0.00 4 R 9.58 3.91 0.00 1.93 2.08 0.00 3.46 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 5 F 9.45 3.95 0.00 3.19 3.21 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 6 D 7.32 4.52 0.00 2.51 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 7 S 8.46 4.15 0.00 3.83 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 8 D 8.42 4.44 0.00 2.67 2.66 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 9 R 6.99 4.35 0.00 1.81 1.95 0.00 3.11 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 10 S 8.20 4.48 0.00 3.62 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 11 R 7.81 5.03 0.00 0.94 0.75 0.00 2.31 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.23 0.00 12 Y 9.51 5.02 0.00 2.92 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 13 A 8.71 5.53 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 14 S 9.11 4.35 0.00 4.04 4.10 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 15 L 9.01 3.99 0.00 1.79 1.75 0.93 0.99 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 16 G 8.42 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 17 V 7.66 3.72 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 18 V 7.87 3.75 2.26 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 0.89 0.00 0.00 0.96 0.00 0.00 19 S 7.64 4.56 0.00 4.00 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 20 S 8.04 4.69 0.00 3.97 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 21 L 7.49 4.36 0.00 1.41 1.23 0.70 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.38 0.00 1.90 1.86 0.00 3.19 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 23 S 8.63 4.17 0.00 3.79 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 24 G 7.75 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 0.00 0.00 0.00 25 L 7.11 3.87 0.00 1.41 1.43 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.25 3.47 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.93 0.00 0.00 27 D 8.65 4.60 0.00 2.84 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 28 S 8.18 4.19 0.00 4.02 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 29 I 7.28 3.25 1.28 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 -0.23 0.00 0.00 30 W 7.18 4.50 0.00 3.52 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 31 L 8.50 4.11 0.00 1.83 1.74 1.01 0.76 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 32 I 8.42 3.70 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.92 0.00 0.00 33 I 7.81 3.60 2.09 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.79 0.00 0.00 34 D 8.37 4.38 0.00 2.65 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 35 L 8.19 4.30 0.00 1.83 1.71 0.93 0.86 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 36 N 8.28 4.81 0.00 2.81 2.78 0.00 0.00 6.94 7.83 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 37 L 7.48 4.28 0.00 1.70 1.45 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.78 3.94 0.00 1.73 1.75 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 39 G 9.11 4.02 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 0.00 0.00 0.00 40 V 7.77 4.20 2.26 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 0.85 0.00 0.00 0.92 0.00 0.00 41 I 7.27 4.77 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.95 0.00 0.00 42 P 0.00 4.47 0.00 2.26 2.15 0.00 3.77 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 2.04 2.03 0.00 43 L 8.23 5.00 0.00 1.90 1.84 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.32 4.86 0.00 3.01 2.86 0.00 0.00 6.98 7.79 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 45 D 8.81 4.63 0.00 3.08 3.01 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 46 L 8.12 5.51 0.00 1.67 1.50 0.82 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.79 4.86 0.00 1.99 1.40 1.20 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.97 5.30 0.00 2.92 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.39 5.46 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 9.31 5.24 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 51 L 9.00 4.84 0.00 1.68 1.81 0.97 0.92 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 52 L 9.02 4.78 0.00 1.60 1.55 0.94 0.54 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 53 N 8.37 4.34 0.00 1.44 2.20 0.00 0.00 6.84 7.79 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 54 N 9.40 4.58 0.00 2.69 2.78 0.00 0.00 6.88 6.97 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 55 N 9.33 4.00 0.00 2.85 2.84 0.00 0.00 7.40 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 56 G 9.39 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 57 K 7.63 5.19 0.00 1.74 1.81 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 58 V 8.68 4.55 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 1.10 0.00 0.00 1.30 0.00 0.00 59 T 9.17 5.11 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 1.30 0.00 0.00 60 V 8.92 4.83 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 1.16 0.00 0.00 0.98 0.00 0.00 61 H 9.08 5.10 0.00 3.35 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.74 5.23 0.00 3.29 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 63 S 7.57 3.55 0.00 3.51 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 64 Q 7.63 4.58 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.10 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 65 E 8.67 3.93 0.00 1.93 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 2.24 2.24 0.00 66 N 8.75 4.24 0.00 2.85 2.88 0.00 0.00 6.65 7.57 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 67 S 7.54 4.60 0.00 3.80 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 68 S 8.61 4.33 0.00 4.01 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 69 V 7.59 3.82 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 0.94 0.00 0.00 0.97 0.00 0.00 70 E 8.59 5.12 0.00 2.03 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 2.24 0.00 *72 A 8.40 4.42 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 73 I 8.95 4.46 1.93 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 1.26 0.62 0.92 0.00 0.00 74 D 8.81 4.90 0.00 2.56 2.59 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 75 L 8.40 4.82 0.00 1.72 1.49 0.89 1.00 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 76 P 0.00 4.20 0.00 1.81 1.95 0.00 3.05 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.61 0.00 77 F 6.94 4.65 0.00 3.12 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 78 S 8.92 4.81 0.00 3.98 3.86 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 79 Y 8.93 4.66 0.00 2.91 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 80 S 6.43 4.27 0.00 3.15 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 81 T 8.32 4.06 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 1.41 0.00 0.00 82 A 7.26 4.03 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 83 Y 7.02 4.66 0.00 2.81 2.66 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 84 P 0.00 4.49 0.00 2.13 2.02 0.00 3.72 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 1.92 1.89 0.00 85 S 8.59 4.69 0.00 3.98 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 0.00 86 R 7.85 5.29 0.00 1.75 1.87 0.00 2.97 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.00 87 I 8.95 4.66 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.83 0.00 0.00 88 F 9.10 5.94 0.00 3.03 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 89 A 9.19 5.47 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 10.12 5.78 0.00 3.10 3.07 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 91 D 8.73 4.77 0.00 1.58 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 0.00 0.00 0.00 0.00 92 D 8.14 3.84 0.00 2.61 2.25 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 93 G 7.77 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 94 H 8.05 4.90 0.00 3.24 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 9.12 4.73 0.00 1.87 1.93 0.00 2.95 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 96 E 8.85 5.27 0.00 2.03 2.21 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 2.00 2.17 0.00 97 T 9.68 5.42 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 98 I 8.94 5.00 1.84 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.00 0.76 0.00 0.00 99 L 8.74 5.36 0.00 1.74 1.83 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.06 4.45 0.00 1.93 1.53 0.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.01 0.00 1.87 1.94 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.87 0.00 102 A 7.91 4.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.55 4.38 0.00 2.05 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 0.00 2.27 2.25 0.00 *105 L 7.56 4.10 0.00 1.59 1.60 0.96 0.93 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 * Residues marked with a * may have inaccurate shift predictions.