NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6306 8.4244 118.1114 53.6201 38.7385 173.2998 3 T 4.3208 7.4340 111.3225 60.2733 70.0111 172.1510 4 A 2.8342 7.0089 123.7522 52.5666 20.4901 175.6767 5 Y 5.3316 8.0866 118.3253 57.0322 41.3440 172.8619 6 R 4.6748 8.3431 113.9591 55.2156 31.8194 174.4379 7 V 4.3856 8.7239 121.8681 60.8658 34.5263 174.9942 8 W 4.8232 8.5386 135.0000 55.4248 31.2756 175.8019 9 D 4.4707 8.2692 126.9351 53.6800 39.2356 176.6684 10 G 3.7388 6.5347 111.2480 45.9564 0.0000 174.5864 11 E 4.1535 7.5745 119.2011 57.2320 31.5289 174.9706 12 Q 3.7347 7.5441 120.8364 55.3787 34.0912 175.6695 *14 H 4.5496 8.8661 114.2940 55.6362 30.4450 170.8527 15 Y 4.6508 9.2287 121.4047 55.6217 39.5095 177.2216 16 W 3.3978 8.1959 122.1360 58.8159 28.0669 176.5240 17 D 3.9810 6.2387 115.2902 52.3634 39.2185 176.2335 18 D 4.3354 8.2033 123.1508 54.6954 41.7041 176.8119 19 E 3.9666 8.5203 117.5355 57.1672 30.3613 179.9585 20 G 4.1297 8.7812 107.5635 46.1188 0.0000 173.7976 21 L 4.8691 7.4905 119.4073 55.0075 42.6825 176.8976 22 S 4.8036 9.6135 116.3733 57.2201 66.6066 172.6277 23 L 4.9536 8.7502 125.3462 53.4998 44.1477 175.3442 24 I 4.6737 8.2016 124.1920 59.6893 40.7719 174.1509 25 I 4.9483 8.5609 127.7533 59.7223 38.8967 175.6994 26 K 4.4675 9.3496 126.6358 55.0763 33.8139 178.1056 27 S 4.1303 8.8039 118.2456 61.8285 62.8590 176.0893 28 N 4.4253 8.0090 116.0837 53.7547 37.3750 175.2391 29 G 4.0540 7.9943 106.4924 45.6508 0.0000 174.1843 30 D 4.7020 8.3403 120.1464 54.1840 42.1872 175.4684 31 W 5.5127 8.3618 117.2963 55.4320 31.8445 175.0216 32 T 4.9026 8.8344 117.6377 62.4813 72.0073 173.0474 33 L 4.5749 9.5220 130.4461 55.0453 43.4112 175.9533 34 K 5.2722 9.5981 126.7719 55.7298 36.9792 175.9404 35 R 5.9035 8.9867 120.7308 54.9047 34.2479 174.7190 36 L 4.5514 8.6136 124.3202 56.6412 41.6354 174.7083 *37 Y 3.9096 8.9088 125.9479 59.3220 35.8585 174.7173 38 T 4.1803 8.1523 112.3464 62.5538 69.9912 178.5819 39 D 4.6065 7.3877 118.9591 53.5883 42.3007 175.3407 40 V 4.4898 7.6397 110.7394 58.6007 34.8846 174.9747 41 L 4.5023 8.8679 128.4065 55.5737 42.3264 177.3086 42 V 4.4095 9.8324 123.9893 58.6531 34.2618 169.9980 43 P 4.4408 0.0000 0.0000 62.4152 31.0392 176.2672 44 V 4.1186 8.4469 125.0475 63.5855 32.8367 176.1875 45 V 4.1684 7.3315 118.8721 61.9149 32.8594 169.5199 46 D 3.9535 7.3386 118.3971 51.3196 41.7205 176.3208 47 S 3.0748 6.2715 115.9474 60.9383 62.7865 176.3182 48 T 3.8070 7.4578 111.1059 64.1039 68.6165 174.9329 49 N 4.2263 8.1820 122.0279 53.4999 39.0873 175.7501 50 R 4.1022 8.5659 124.7746 58.7297 30.6337 177.5547 51 N 4.5857 9.2334 115.3731 55.4049 39.0743 175.6250 52 A 5.1657 7.4952 118.3716 52.3713 19.4907 176.9527 53 A 4.7452 8.4849 118.1314 51.0365 22.6240 175.5215 54 L 4.3168 8.3385 122.7367 52.7686 45.0874 175.1226 *56 W 5.0640 8.3132 119.8082 56.7451 30.8397 175.4217 57 G 3.4617 8.7111 109.4281 45.1828 0.0000 173.2738 58 A 4.3184 7.7803 120.4768 50.1147 22.5220 175.7655 59 K 4.1544 8.7314 125.5763 56.3405 32.8619 176.9081 60 V 4.0745 8.7103 126.0698 61.9127 34.3147 174.1122 61 R 3.8573 9.3469 123.1709 56.8148 28.3341 175.5553 62 G 3.9436 8.4207 105.5713 44.2626 0.0000 173.5744 63 K 4.4033 7.3063 116.3686 54.8132 36.2196 175.1499 64 F 5.0623 8.4461 118.9179 56.5180 40.0859 175.6196 65 I 4.5134 8.1832 125.0221 59.8634 39.3081 174.8835 66 Y 5.4250 8.5921 123.2574 55.3693 40.5972 174.8646 67 D 4.5869 9.0543 120.4328 55.0066 42.5354 175.7458 68 R 4.1829 9.4034 121.7621 57.3906 28.2790 175.9571 69 S 5.0123 7.9231 112.9821 57.7137 65.2242 173.2496 70 I 4.7950 9.0305 125.3975 60.4071 38.5658 175.3833 71 V 4.7349 8.9954 125.7944 59.8199 35.3793 174.4056 72 K 4.8553 8.6585 123.5764 55.1099 34.0344 174.8777 73 I 4.6645 8.7449 130.2761 60.3213 38.9229 174.9815 74 T 5.1102 8.5698 122.1063 60.0034 70.7963 173.8340 75 S 4.7847 8.8682 123.7350 58.1250 64.5179 174.8907 76 D 4.5516 8.8235 118.8251 57.1713 40.7572 179.0867 77 D 4.3479 7.5270 118.7645 55.3899 40.8479 176.9304 78 K 3.9296 7.8231 117.9996 58.1271 29.6920 176.7565 79 E 4.5721 8.3022 112.4829 55.2209 32.0227 178.3653 80 S 4.5964 8.1185 114.9196 58.0910 63.9152 173.0455 81 S 5.3814 8.1902 125.0399 57.3102 66.6854 168.7370 82 D 4.4847 7.9207 114.8436 55.8034 45.3627 175.6506 83 V 4.8532 8.5359 116.6329 60.0174 33.4299 174.8346 84 C 4.9834 9.0758 122.5898 57.8691 33.1150 172.5911 85 E 4.9710 8.5556 120.8164 54.9497 31.6346 174.6579 86 V 4.2685 8.9059 126.8414 62.0143 33.1560 174.6853 87 K 5.0816 8.8820 127.1598 54.6358 35.5185 175.1926 88 F 4.7712 10.0648 129.3459 57.1069 39.2749 174.8118 89 S 4.2501 8.6021 120.4592 57.7715 65.4396 173.7094 90 D 4.4333 9.2378 124.7114 55.4766 37.8114 174.6489 91 G 3.9800 8.7859 104.8645 45.5390 0.0000 174.1512 92 V 4.6764 7.4503 118.2584 59.8691 35.3928 174.2542 93 F 4.8001 9.2225 123.0169 57.2509 39.8460 174.4460 94 Q 5.6217 8.8532 121.8453 53.8958 32.4391 174.5472 95 V 4.9425 7.8148 110.0804 59.9192 36.2992 173.4097 96 D 4.8860 8.6953 123.1600 53.8620 41.6877 176.6682 97 V 4.6051 7.6667 123.9940 60.6057 30.0259 178.5105 98 S 4.5893 7.8108 116.8270 57.1849 61.2110 175.1197 99 K 4.2563 7.6868 128.0085 57.4748 33.0749 177.7259 *103 D 4.5171 8.3883 120.1142 54.0226 42.0462 177.3987 104 Y 5.2937 7.5456 113.3272 56.7376 42.0560 174.2154 105 D 5.1428 8.4784 118.7583 52.6105 41.5123 175.0825 106 V 4.8872 7.6769 115.1287 62.6878 33.9478 171.7894 107 T 4.3972 7.9075 116.5125 61.1685 71.2817 171.3756 108 A 4.5067 8.5271 127.1060 51.9429 18.8090 179.9494 109 V 3.6485 8.9632 120.6378 63.4736 31.7673 175.1422 110 G 4.0697 7.8170 104.7482 45.5627 0.0000 173.8111 111 W 4.9198 8.4321 118.1549 55.9287 30.1421 175.7837 112 V 3.7321 8.1165 121.9424 63.7556 31.1626 175.8317 113 E 4.5418 8.9313 123.3768 56.0905 31.4296 171.4732 114 Y 3.8884 8.5240 114.8945 57.1562 35.7171 169.9601 115 A 5.1926 7.7087 117.5515 51.4478 23.1167 176.2909 116 T 4.7922 9.2167 115.0045 62.0468 72.6534 173.9466 117 I 5.1554 8.2267 123.6320 59.7765 41.0958 174.4392 118 E 4.7302 8.6176 123.5535 54.1020 32.6386 175.4139 119 V 4.0906 8.6297 124.1463 62.7633 32.2497 175.2737 120 I 4.4955 9.1583 119.7667 59.8238 38.9150 175.8849 121 G 3.8214 7.2015 110.0668 44.8494 0.0000 172.2689 122 D 5.1302 8.8484 118.9801 51.5232 42.5125 176.4447 123 V 3.4204 7.8830 119.3776 65.3191 31.5505 176.7342 124 Y 3.7200 7.3949 115.9728 59.3532 37.9080 175.9114 125 Q 4.6020 8.0415 115.7559 55.8606 30.5393 176.2430 126 N 5.0364 8.0193 114.8098 52.0643 40.8661 173.9211 127 P 4.5908 0.0000 0.0000 61.8624 29.7231 176.3112 128 E 4.7017 7.8772 121.0530 55.8736 30.3669 178.2326 129 L 4.1126 8.0760 115.6312 55.8921 41.1912 177.2727 130 L 4.3426 7.8036 122.2993 54.1026 44.3128 176.5245 131 E 4.1773 8.7620 119.1402 56.0775 29.6719 173.5862 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 N 8.42 4.63 0.00 2.58 2.70 0.00 0.00 6.62 6.65 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 3 T 7.43 4.32 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 0.88 0.00 0.00 4 A 7.01 2.83 -0.30 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 5 Y 8.09 5.33 0.00 2.59 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 6 R 8.34 4.67 0.00 0.87 1.13 0.00 2.34 0.00 0.00 2.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.31 0.00 7 V 8.72 4.39 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 0.81 0.00 0.00 0.46 0.00 0.00 8 W 8.54 4.82 0.00 3.05 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.27 4.47 0.00 2.68 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 10 G 6.53 3.74 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 0.00 0.00 0.00 11 E 7.57 4.15 0.00 1.72 1.70 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 2.08 2.17 0.00 12 Q 7.54 3.73 0.00 1.90 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.35 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 *14 H 8.87 4.55 0.00 3.17 3.23 0.00 5.58 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 15 Y 9.23 4.65 0.00 2.87 2.67 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 16 W 8.20 3.40 0.00 3.14 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 0.00 0.00 0.00 0.00 17 D 6.24 3.98 0.00 1.92 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 18 D 8.20 4.34 0.00 2.59 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 19 E 8.52 3.97 0.00 1.89 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 2.32 1.88 0.00 20 G 8.78 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 21 L 7.49 4.87 0.00 1.72 1.70 0.95 0.79 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 22 S 9.61 4.80 0.00 3.90 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 23 L 8.75 4.95 0.00 1.06 1.26 0.61 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.20 4.67 1.93 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 1.27 0.82 0.95 0.00 0.00 25 I 8.56 4.95 1.97 0.00 0.00 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 1.52 0.68 1.02 0.00 0.00 26 K 9.35 4.47 0.00 1.86 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.56 7.81 27 S 8.80 4.13 0.00 3.87 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 28 N 8.01 4.43 0.00 2.83 2.95 0.00 0.00 6.18 7.00 0.00 0.00 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 G 7.99 4.05 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 D 8.34 4.70 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.36 5.51 0.00 3.25 3.09 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 32 T 8.83 4.90 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 1.21 0.00 0.00 33 L 9.52 4.57 0.00 1.95 1.80 1.12 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.60 5.27 0.00 1.79 1.64 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.57 7.81 35 R 8.99 5.90 0.00 1.46 1.71 0.00 3.24 0.00 0.00 3.31 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 0.00 36 L 8.61 4.55 0.00 1.62 1.71 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *37 Y 8.91 3.91 0.00 2.37 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 0.00 0.00 0.00 38 T 8.15 4.18 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 39 D 7.39 4.61 0.00 2.56 2.60 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 40 V 7.64 4.49 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 0.70 0.00 0.00 0.93 0.00 0.00 41 L 8.87 4.50 0.00 1.54 1.64 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 V 9.83 4.41 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 0.76 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.44 0.00 1.90 2.01 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 44 V 8.45 4.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.88 0.00 0.00 45 V 7.33 4.17 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 0.89 0.00 0.00 0.94 0.00 0.00 46 D 7.34 3.95 0.00 2.65 2.53 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 47 S 6.27 3.07 0.00 3.51 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 48 T 7.46 3.81 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 1.09 0.00 0.00 49 N 8.18 4.23 0.00 2.61 2.71 0.00 0.00 7.21 8.00 0.00 0.00 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 R 8.57 4.10 0.00 1.85 2.00 0.00 3.24 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 51 N 9.23 4.59 0.00 2.82 2.95 0.00 0.00 6.92 7.26 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 52 A 7.50 5.17 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.48 4.75 1.16 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 0.00 0.00 54 L 8.34 4.32 0.00 0.27 0.97 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 *56 W 8.31 5.06 0.00 3.57 3.17 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 57 G 8.71 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.78 4.32 -0.01 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 59 K 8.73 4.15 0.00 1.51 1.58 0.00 1.09 0.00 0.00 0.76 0.00 0.00 2.62 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.18 1.23 7.81 60 V 8.71 4.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.87 0.00 0.00 61 R 9.35 3.86 0.00 1.94 2.02 0.00 3.34 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 62 G 8.42 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 63 K 7.31 4.40 0.00 1.83 1.86 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.33 7.81 64 F 8.45 5.06 0.00 3.00 2.44 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 65 I 8.18 4.51 1.71 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 1.22 1.04 0.97 0.00 0.00 66 Y 8.59 5.42 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 67 D 9.05 4.59 0.00 2.83 2.76 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 68 R 9.40 4.18 0.00 2.09 1.94 0.00 3.21 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 69 S 7.92 5.01 0.00 3.97 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 70 I 9.03 4.79 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.91 0.00 0.00 71 V 9.00 4.73 2.12 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 0.71 0.00 0.00 1.01 0.00 0.00 72 K 8.66 4.86 0.00 1.89 1.74 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.54 7.81 73 I 8.74 4.66 1.90 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 1.15 0.84 1.00 0.00 0.00 74 T 8.57 5.11 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 1.28 0.00 0.00 75 S 8.87 4.78 0.00 4.00 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 76 D 8.82 4.55 0.00 2.91 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 77 D 7.53 4.35 0.00 2.83 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 78 K 7.82 3.93 0.00 2.03 1.95 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 79 E 8.30 4.57 0.00 1.94 1.79 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 2.10 1.81 0.00 80 S 8.12 4.60 0.00 3.81 3.74 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 81 S 8.19 5.38 0.00 3.38 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 82 D 7.92 4.48 0.00 2.82 2.52 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 0.00 83 V 8.54 4.85 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 0.79 0.00 0.00 0.93 0.00 0.00 84 C 9.08 4.98 0.00 2.84 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 85 E 8.56 4.97 0.00 2.02 1.78 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 2.30 2.26 0.00 86 V 8.91 4.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.05 0.00 0.00 87 K 8.88 5.08 0.00 1.70 1.63 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.50 7.81 88 F 10.06 4.77 0.00 1.63 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 89 S 8.60 4.25 0.00 3.75 3.54 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 90 D 9.24 4.43 0.00 2.82 2.72 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 91 G 8.79 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 92 V 7.45 4.68 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.82 0.00 0.00 93 F 9.22 4.80 0.00 2.89 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.85 5.62 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.20 0.00 95 V 7.81 4.94 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 0.81 0.00 0.00 0.97 0.00 0.00 96 D 8.70 4.89 0.00 2.70 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 97 V 7.67 4.61 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 1.03 0.00 0.00 98 S 7.81 4.59 0.00 4.17 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 99 K 7.69 4.26 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.41 7.81 *103 D 8.39 4.52 0.00 2.75 2.67 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 0.00 104 Y 7.55 5.29 0.00 2.97 2.76 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 0.00 105 D 8.48 5.14 0.00 2.71 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 0.00 106 V 7.68 4.89 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 0.97 0.00 0.00 0.92 0.00 0.00 107 T 7.91 4.40 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 1.28 0.00 0.00 108 A 8.53 4.51 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.96 3.65 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 0.72 0.00 0.00 0.93 0.00 0.00 110 G 7.82 4.07 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 0.00 111 W 8.43 4.92 0.00 3.31 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.12 3.73 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 1.12 0.00 0.00 113 E 8.93 4.54 0.00 2.02 1.71 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 2.18 1.89 0.00 114 Y 8.52 3.89 0.00 3.17 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 0.00 115 A 7.71 5.19 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 0.00 116 T 9.22 4.79 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 1.22 0.00 0.00 117 I 8.23 5.16 1.89 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 1.43 0.62 0.94 0.00 0.00 118 E 8.62 4.73 0.00 2.04 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 2.19 2.23 0.00 119 V 8.63 4.09 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 0.92 0.00 0.00 1.00 0.00 0.00 120 I 9.16 4.50 1.89 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 1.35 0.98 1.00 0.00 0.00 121 G 7.20 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 0.00 122 D 8.85 5.13 0.00 2.83 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 0.00 123 V 7.88 3.42 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 0.53 0.00 0.00 0.83 0.00 0.00 124 Y 7.39 3.72 0.00 2.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.04 4.60 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.15 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 126 N 8.02 5.04 0.00 2.60 2.69 0.00 0.00 6.97 8.27 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 0.00 127 P 0.00 4.59 0.00 2.00 1.95 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.19 0.00 128 E 7.88 4.70 0.00 2.09 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 0.00 2.47 2.27 0.00 129 L 8.08 4.11 0.00 1.63 1.71 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.80 4.34 0.00 1.60 1.55 0.91 0.84 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 0.00 131 E 8.76 4.18 0.00 1.99 1.72 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.