NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.5899 8.4045 120.3001 55.0253 33.3970 175.0958 6 R 4.2758 8.2284 124.6029 53.2810 31.0649 168.3168 7 V 3.6021 8.0725 122.2715 63.5373 32.9906 175.8709 8 G 4.0080 8.6910 115.1864 45.1713 0.0000 173.8810 9 E 4.1780 7.7079 119.7136 56.8455 30.4079 176.3767 10 R 5.4423 8.7215 122.0964 54.5287 33.4209 175.0257 11 F 5.0861 9.4017 123.7925 56.8224 43.1660 173.4255 12 T 4.7256 7.3984 120.7049 61.8183 71.6645 172.8189 13 H 4.7632 8.8659 122.8321 54.0070 31.5126 172.8614 14 D 5.3329 8.4186 122.2494 52.7534 43.7716 176.1648 15 F 4.5291 8.8545 124.7639 57.0382 42.4748 173.4499 16 V 3.8274 7.8429 127.6063 62.5903 32.1143 175.5098 17 V 3.3812 8.2532 129.3801 62.0005 32.6808 174.0465 18 P 4.7432 0.0000 0.0000 60.7854 33.3312 174.9927 19 P 4.2322 0.0000 0.0000 65.7780 31.1960 177.2498 20 H 4.1081 7.9539 110.8929 55.5209 28.9004 175.3241 21 K 3.8119 7.7514 118.7012 56.4975 32.1648 176.5414 22 T 5.5081 7.5559 110.2799 59.7610 70.7235 175.6275 23 V 3.3740 8.5645 120.5147 65.9818 31.2749 178.1020 24 R 4.0255 8.1111 115.6143 59.2898 29.2201 177.7643 25 H 4.4969 7.9197 114.1497 57.1587 29.3258 176.4924 26 L 3.8773 7.9603 121.5198 57.5200 40.9232 176.6851 27 Y 4.5321 7.4821 118.0917 54.9430 38.4685 174.0078 28 P 4.7835 0.0000 0.0000 64.5716 31.9028 177.1787 29 E 4.6579 7.5757 117.2364 56.6671 29.5752 176.2587 30 S 4.5446 7.7408 113.9580 55.8752 63.6372 171.9640 31 P 4.4740 0.0000 0.0000 65.2320 31.5111 178.9273 32 E 4.0161 8.0725 116.8898 58.7520 29.6857 177.7077 33 F 4.5621 7.9019 116.0375 58.3111 39.7376 177.7845 34 A 4.0953 7.6746 123.0072 54.8559 18.1718 177.9753 35 E 4.5310 8.2545 112.5530 56.3400 29.9210 176.3178 36 F 4.2570 8.3178 118.4683 56.3436 39.6087 173.3413 37 P 4.3648 0.0000 0.0000 63.4054 31.9353 177.5644 38 E 4.4553 8.5455 122.1630 55.6968 28.2251 176.0956 39 V 4.7959 7.2504 113.9997 58.7003 36.4605 175.6082 40 F 4.8589 9.2516 125.4688 58.9762 39.7196 174.9938 41 A 4.0625 8.7649 128.5671 52.1465 19.0020 178.4017 42 T 3.6312 8.7563 118.4057 66.7113 68.5860 177.2728 43 G 3.3727 7.7941 106.9047 47.5038 0.0000 175.4183 44 F 4.4455 7.2960 119.2726 60.0458 39.1458 177.4290 45 M 4.0318 7.4084 118.0131 58.6362 31.9495 178.0513 46 V 3.6206 8.2607 118.8791 66.2616 31.6038 178.0317 47 G 3.6979 8.0120 104.9990 47.9405 0.0000 175.3279 48 L 4.2787 8.3769 123.1711 57.9804 42.1808 178.8971 49 M 4.0399 8.4769 119.1016 58.4351 31.8679 178.4282 50 E 3.7605 8.3505 118.8855 59.1201 29.6720 178.9063 51 W 4.5312 8.2426 128.0795 60.7691 30.6656 177.3706 52 A 3.7798 8.0390 120.2991 55.7254 17.5939 179.5091 53 C 3.0206 7.5272 114.2534 62.3222 27.8275 176.2248 54 V 3.5806 8.4005 120.5648 66.4673 30.8083 178.4351 55 R 3.8443 7.8721 115.8604 58.9294 29.9167 178.4961 56 A 3.9262 7.4954 120.1908 54.9193 18.6453 178.8912 57 M 4.5334 7.9530 114.1695 56.7269 31.7557 178.2534 58 A 4.0156 7.6556 123.1095 54.8673 18.3692 177.6369 59 P 4.1932 0.0000 0.0000 65.1477 31.2888 176.3809 60 Y 4.4982 7.7936 114.8602 57.9776 38.8114 175.8756 61 L 4.4743 7.5223 120.2585 54.1275 42.7332 176.7504 62 E 4.3120 9.7179 122.4031 54.9320 30.3383 174.7861 63 P 4.4026 0.0000 0.0000 64.3986 31.9306 177.4490 64 G 3.9957 8.9444 109.9316 45.5742 0.0000 173.0370 65 E 4.8185 8.0270 119.3943 55.8908 30.8286 176.4645 66 G 4.3731 8.8003 109.3926 45.7467 0.0000 171.1817 67 S 5.1611 8.4341 112.8585 57.3218 66.0557 173.7799 68 L 4.7673 8.6813 120.5363 52.7126 45.5456 176.0717 69 G 4.2708 8.7242 109.8133 46.4371 0.0000 173.4344 70 T 4.7697 8.6594 113.7308 61.3551 70.3106 173.8075 71 A 4.6278 7.5587 122.0064 51.3776 22.6770 175.0448 72 I 4.9719 8.2760 119.6929 59.6509 41.3767 173.8958 73 C 4.8076 9.6593 129.5469 57.9845 34.1711 172.9322 74 V 5.1066 8.3850 118.2952 60.2900 35.8181 174.3173 75 T 4.6539 8.6850 112.5969 60.4729 71.6848 173.2847 76 H 5.4539 8.8146 122.5564 55.1905 31.3704 172.5051 77 T 4.6755 9.7718 116.7788 61.5748 70.3407 174.1705 78 A 4.6529 7.9063 122.8929 50.5214 22.4301 174.4926 79 A 4.7402 8.3693 121.0753 50.8759 21.0844 176.9095 80 T 4.6535 8.5058 117.9345 61.1469 71.0997 172.1906 81 P 4.9079 0.0000 0.0000 60.9792 33.5775 173.9331 82 P 4.3741 0.0000 0.0000 64.3920 31.7576 175.6037 83 G 4.1085 8.7083 111.4049 45.9680 0.0000 174.7525 84 L 4.1589 7.3906 118.6793 54.8768 43.1774 176.6003 85 T 4.5476 8.2196 118.4044 62.5179 70.2752 173.8884 86 V 4.3108 8.5797 127.7314 62.3085 33.3124 174.5775 87 T 4.8616 8.6255 125.0718 61.8664 70.7620 173.3610 88 V 4.8668 8.8299 127.2528 61.3973 34.2726 174.4461 89 T 5.0063 8.8937 123.4984 61.6559 71.9248 172.5109 90 A 5.2705 9.2775 128.6821 50.0861 21.7609 174.5170 91 E 5.2028 9.7689 124.3652 53.9711 32.5023 174.9359 92 L 3.2119 8.8867 130.2886 55.3280 42.4374 177.1715 93 R 4.4395 8.4260 125.2566 57.3410 32.4910 176.5705 94 S 4.4812 7.3565 110.8711 57.2920 66.4467 174.1980 95 V 4.5440 8.1983 123.5894 61.3105 32.9358 173.3734 96 E 4.4839 8.5645 122.2334 54.5648 31.6477 175.2885 97 G 4.0169 8.3332 119.4102 46.7804 0.0000 175.4068 98 R 4.2588 8.7546 126.7228 56.7341 29.8356 175.5074 99 R 5.1416 7.7659 118.5916 56.2760 31.5589 180.7451 100 L 4.8778 9.1871 124.1406 51.9411 45.2302 175.4486 101 S 5.1968 8.9885 118.2783 56.2338 65.5434 172.6231 102 W 5.2217 9.2688 126.1651 54.8433 32.9093 174.3472 103 R 4.9428 9.2169 124.5123 55.6982 31.1539 175.4386 104 V 5.1906 9.0238 119.9157 59.7194 35.1623 174.8729 105 S 5.2523 8.9673 117.7768 57.1026 67.1077 172.5522 106 A 5.8381 9.2291 121.1964 50.4240 22.7611 174.9248 107 H 5.3357 8.5725 115.1084 53.5826 32.5971 173.1966 108 D 5.2984 8.4684 117.9715 52.4417 39.4114 177.4553 109 G 4.0816 8.7057 110.0850 45.7265 0.0000 174.7358 110 V 4.1562 7.9609 116.5054 63.8555 33.2269 175.1287 111 D 5.0980 8.4347 118.8134 51.8045 43.7980 175.3805 112 E 4.3692 8.7514 121.6952 56.8079 30.0496 176.9021 113 I 4.5528 9.2273 115.8185 59.9453 40.6953 175.3709 114 G 4.9191 7.8949 109.1797 46.6921 0.0000 171.0887 115 S 5.0931 6.9603 111.1683 56.7722 66.3554 176.3348 116 G 4.2907 8.0178 109.5781 46.5601 0.0000 172.2901 117 T 5.2547 8.7625 113.9392 60.2477 72.6938 172.7543 118 H 5.4727 9.3316 122.3531 54.6172 33.5919 171.8438 119 E 5.2838 9.2747 124.0256 54.7205 33.3036 175.1573 120 R 5.2092 9.3151 120.8261 54.4095 35.1583 174.0237 121 A 5.1213 9.0032 123.1335 49.9665 22.0239 175.7129 122 V 4.2668 8.9405 124.4402 62.8126 32.2739 175.3615 123 I 4.6943 8.6835 123.0738 59.7767 41.6266 175.1194 *124 H 4.8000 8.6205 119.9582 53.7137 28.2809 176.9427 125 L 4.1239 8.7750 126.4451 57.1863 41.5477 179.4922 126 E 3.9738 8.2315 117.6464 59.4094 29.4943 179.2689 127 K 3.9010 8.0506 118.8896 59.5087 32.3692 178.3368 128 F 4.1395 8.7856 121.2049 61.5157 39.2581 176.8527 129 N 4.1812 8.7362 116.2773 55.9875 38.1366 177.3378 130 A 3.8861 7.9291 122.2925 55.0266 18.3000 179.3698 131 K 4.2943 7.3772 117.7077 59.1020 32.4153 178.8102 132 V 3.5093 7.2983 118.2376 65.9615 31.5828 177.9962 133 R 4.1552 8.3125 119.6439 58.3971 30.0355 178.1937 134 Q 4.3353 7.8900 116.0219 56.7366 28.8340 176.9641 135 K 4.4389 7.3915 119.0394 56.7383 33.1819 176.0430 136 T 4.1478 7.5524 118.1426 62.5827 68.9754 173.1404 137 P 4.4068 0.0000 0.0000 63.0259 31.4415 176.1040 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 5 M 8.40 3.59 0.00 1.53 0.95 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.10 0.00 6 R 8.23 4.28 0.00 1.77 1.77 0.00 3.33 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 7 V 8.07 3.60 1.99 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 0.90 0.00 0.00 0.79 0.00 0.00 8 G 8.69 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 9 E 7.71 4.18 0.00 2.03 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 2.40 2.31 0.00 10 R 8.72 5.44 0.00 1.74 1.89 0.00 3.19 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 11 F 9.40 5.09 0.00 3.14 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 12 T 7.40 4.73 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 1.05 0.00 0.00 13 H 8.87 4.76 0.00 2.97 2.99 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.42 5.33 0.00 2.44 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 4.53 0.00 2.81 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 16 V 7.84 3.83 1.77 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 0.58 0.00 0.00 0.77 0.00 0.00 17 V 8.25 3.38 1.82 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 0.88 0.00 0.00 0.25 0.00 0.00 18 P 0.00 4.74 0.00 1.98 2.01 0.00 3.62 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 1.62 1.75 0.00 19 P 0.00 4.23 0.00 2.06 2.17 0.00 3.66 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 2.02 2.06 0.00 20 H 7.95 4.11 0.00 3.11 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.75 3.81 0.00 2.02 1.99 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.68 7.81 22 T 7.56 5.51 4.43 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 1.32 0.00 0.00 23 V 8.56 3.37 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 0.06 0.00 0.00 0.98 0.00 0.00 24 R 8.11 4.03 0.00 2.04 2.25 0.00 3.06 0.00 0.00 3.67 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.50 0.00 25 H 7.92 4.50 0.00 3.53 3.58 0.00 5.66 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 26 L 7.96 3.88 0.00 1.09 1.52 -0.21 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.48 4.53 0.00 3.31 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 28 P 0.00 4.78 0.00 2.21 2.13 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 29 E 7.58 4.66 0.00 2.19 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 2.36 2.33 0.00 30 S 7.74 4.54 0.00 3.73 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 31 P 0.00 4.47 0.00 2.21 2.09 0.00 3.59 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 2.09 2.10 0.00 32 E 8.07 4.02 0.00 1.60 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 2.34 0.00 33 F 7.90 4.56 0.00 2.99 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 34 A 7.67 4.10 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 35 E 8.25 4.53 0.00 2.10 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 0.00 2.34 2.32 0.00 36 F 8.32 4.26 0.00 3.20 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 37 P 0.00 4.36 0.00 2.10 2.02 0.00 3.55 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 38 E 8.55 4.46 0.00 2.01 1.99 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 2.38 2.33 0.00 39 V 7.25 4.80 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 0.98 0.00 0.00 1.03 0.00 0.00 40 F 9.25 4.86 0.00 3.03 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 41 A 8.76 4.06 1.11 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 0.00 0.00 42 T 8.76 3.63 4.18 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 1.14 0.00 0.00 43 G 7.79 3.37 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 0.00 44 F 7.30 4.45 0.00 2.69 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 45 M 7.41 4.03 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 46 V 8.26 3.62 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 1.01 0.00 0.00 0.91 0.00 0.00 47 G 8.01 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 0.00 0.00 0.00 48 L 8.38 4.28 0.00 1.99 1.99 0.59 1.09 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 49 M 8.48 4.04 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 50 E 8.35 3.76 0.00 2.11 1.94 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 1.73 2.28 0.00 51 W 8.24 4.53 0.00 3.51 3.38 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 52 A 8.04 3.78 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 53 C 7.53 3.02 0.00 2.80 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 0.00 0.00 0.00 0.00 54 V 8.40 3.58 2.33 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 1.06 0.00 0.00 0.93 0.00 0.00 55 R 7.87 3.84 0.00 1.57 1.54 0.00 3.24 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.01 0.00 56 A 7.50 3.93 1.36 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 0.00 0.00 0.00 57 M 7.95 4.53 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 58 A 7.66 4.02 1.36 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 0.00 0.00 0.00 59 P 0.00 4.19 0.00 1.66 1.99 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 60 Y 7.79 4.50 0.00 3.18 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 61 L 7.52 4.47 0.00 1.64 1.62 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.72 4.31 0.00 1.98 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 2.35 2.44 0.00 63 P 0.00 4.40 0.00 2.04 2.01 0.00 3.73 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 2.03 2.10 0.00 64 G 8.94 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 65 E 8.03 4.82 0.00 2.20 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 2.34 2.27 0.00 66 G 8.80 4.37 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 0.00 67 S 8.43 5.16 0.00 3.94 3.80 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 68 L 8.68 4.77 0.00 1.42 1.42 0.13 0.48 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 69 G 8.72 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 70 T 8.66 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 1.20 0.00 0.00 71 A 7.56 4.63 1.24 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 72 I 8.28 4.97 1.91 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 1.21 0.82 0.92 0.00 0.00 73 C 9.66 4.81 0.00 2.96 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 74 V 8.38 5.11 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 0.78 0.00 0.00 0.93 0.00 0.00 75 T 8.68 4.65 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 1.24 0.00 0.00 76 H 8.81 5.45 0.00 3.12 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.77 4.68 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 1.25 0.00 0.00 78 A 7.91 4.65 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 79 A 8.37 4.74 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 80 T 8.51 4.65 4.39 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 1.16 0.00 0.00 81 P 0.00 4.91 0.00 2.11 2.18 0.00 3.72 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 2.04 1.99 0.00 82 P 0.00 4.37 0.00 2.03 2.07 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 83 G 8.71 4.11 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 0.00 0.00 0.00 84 L 7.39 4.16 0.00 1.57 1.72 0.91 0.62 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 85 T 8.22 4.55 4.16 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 1.11 0.00 0.00 86 V 8.58 4.31 1.99 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 1.08 0.00 0.00 0.61 0.00 0.00 87 T 8.63 4.86 3.90 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 1.15 0.00 0.00 88 V 8.83 4.87 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 0.97 0.00 0.00 0.97 0.00 0.00 89 T 8.89 5.01 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 1.23 0.00 0.00 90 A 9.28 5.27 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.77 5.20 0.00 2.09 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 2.20 2.26 0.00 92 L 8.89 3.21 0.00 0.84 1.12 -0.25 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.43 4.44 0.00 1.74 1.87 0.00 3.37 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 94 S 7.36 4.48 0.00 3.77 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 95 V 8.20 4.54 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 0.95 0.00 0.00 0.68 0.00 0.00 96 E 8.56 4.48 0.00 1.91 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 2.22 1.84 0.00 97 G 8.33 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 98 R 8.75 4.26 0.00 1.75 1.92 0.00 3.24 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 99 R 7.77 5.14 0.00 1.53 1.83 0.00 3.17 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 100 L 9.19 4.88 0.00 1.58 1.51 0.97 0.45 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 0.00 101 S 8.99 5.20 0.00 3.85 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.27 5.22 0.00 3.41 3.12 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 0.00 103 R 9.22 4.94 0.00 1.96 1.88 0.00 3.28 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 104 V 9.02 5.19 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 0.74 0.00 0.00 1.02 0.00 0.00 105 S 8.97 5.25 0.00 3.89 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 0.00 106 A 9.23 5.84 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 0.00 107 H 8.57 5.34 0.00 3.29 3.55 0.00 5.44 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.47 5.30 0.00 2.73 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 0.00 109 G 8.71 4.08 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 0.00 0.00 0.00 110 V 7.96 4.16 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 0.87 0.00 0.00 0.93 0.00 0.00 111 D 8.43 5.10 0.00 2.71 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 0.00 112 E 8.75 4.37 0.00 1.99 1.93 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 2.33 2.26 0.00 113 I 9.23 4.55 2.16 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 1.04 0.00 0.00 114 G 7.89 4.92 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 0.00 115 S 6.96 5.09 0.00 4.04 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 0.00 116 G 8.02 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 0.00 0.00 0.00 0.00 117 T 8.76 5.25 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 1.26 0.00 0.00 118 H 9.33 5.47 0.00 3.24 3.20 0.00 5.54 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 0.00 119 E 9.27 5.28 0.00 1.88 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 2.24 2.27 0.00 120 R 9.32 5.21 0.00 1.79 1.80 0.00 3.11 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 121 A 9.00 5.12 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 0.00 122 V 8.94 4.27 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 0.88 0.00 0.00 1.02 0.00 0.00 123 I 8.68 4.69 1.83 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.10 0.71 0.00 0.00 *124 H 8.62 4.80 0.00 2.86 3.01 0.00 7.20 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.77 4.12 0.00 1.89 1.81 0.99 0.64 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 0.00 126 E 8.23 3.97 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 2.42 2.46 0.00 127 K 8.05 3.90 0.00 1.85 2.01 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 128 F 8.79 4.14 0.00 3.15 3.27 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 0.00 129 N 8.74 4.18 0.00 2.96 2.83 0.00 0.00 6.95 6.98 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 0.00 130 A 7.93 3.89 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 0.00 131 K 7.38 4.29 0.00 1.83 1.71 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.27 7.81 132 V 7.30 3.51 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 0.87 0.00 0.00 0.23 0.00 0.00 133 R 8.31 4.16 0.00 2.03 1.95 0.00 3.31 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 134 Q 7.89 4.34 0.00 2.20 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 135 K 7.39 4.44 0.00 1.86 1.88 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.33 7.81 136 T 7.55 4.15 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 1.19 0.00 0.00 137 P 0.00 4.41 0.00 2.17 2.02 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.