NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.1643 8.3144 121.8054 56.2564 33.2149 174.6546 14 V 3.5849 8.2922 126.4788 60.6539 31.5127 174.5053 *16 F 4.5209 8.5292 126.5450 58.0133 40.2820 175.6393 17 K 3.8976 8.3027 130.5073 57.4994 30.0999 174.6170 18 V 4.1876 7.4245 117.5978 62.2863 32.3712 174.1281 19 P 4.6068 0.0000 0.0000 63.7921 28.9558 176.5116 20 G 4.1658 8.0957 108.3260 45.5490 0.0000 169.9730 21 F 4.8100 8.2903 121.6018 57.7938 41.3179 173.2871 22 D 3.9133 7.6109 127.4266 54.4527 37.9505 172.4889 *24 V 3.7473 7.4184 111.2258 61.4907 31.9227 175.3625 25 L 5.0633 7.0777 125.0582 55.8573 41.8275 173.7988 26 E 4.6586 8.4199 127.7727 55.7280 30.3505 176.3913 27 K 3.8671 8.2630 118.7883 57.6645 32.0290 177.6295 28 V 4.4391 8.1836 121.9832 63.3318 32.5509 173.2646 29 T 5.4491 7.6962 110.5463 58.9253 71.2695 173.9477 30 L 4.4682 7.8707 124.1768 53.9158 41.7078 180.0651 31 V 4.1771 7.6700 126.3428 62.6134 32.9632 169.8918 32 S 4.5085 8.0190 110.7614 57.8810 66.4085 175.0096 33 A 4.8358 8.9685 130.0804 50.5229 20.3560 175.1281 34 A 4.8445 7.8211 126.7063 49.7763 21.8218 173.1181 35 P 4.3339 0.0000 0.0000 63.8992 32.0563 175.9404 36 E 3.7306 9.2562 123.1917 56.9026 26.1322 173.5186 37 K 4.8851 7.3134 114.9913 56.6920 35.2882 173.3066 38 L 4.8190 7.3021 121.8218 54.7667 43.7377 172.5329 39 I 4.2834 8.0127 123.6993 61.3953 39.1159 175.5432 40 C 4.7422 8.2574 121.9934 59.9492 33.1157 172.2808 41 E 5.5811 7.9252 115.5801 56.9806 34.4263 175.7308 *43 K 4.4448 8.5936 119.9510 56.3386 33.4318 175.9041 44 V 3.9742 8.5166 126.0469 62.6433 32.6664 175.0468 45 E 5.0568 8.7150 126.3464 54.2553 33.1984 176.8845 46 E 3.8693 8.6063 118.7151 59.6610 29.8524 179.6276 47 Q 3.9735 8.0550 117.1664 58.7392 28.5638 177.6170 48 H 4.4135 8.0166 115.1226 58.0719 28.8874 175.7189 49 T 4.3300 7.3471 109.6966 60.5955 70.2500 172.4645 50 N 4.9289 7.6673 118.3734 51.1260 39.7790 176.3478 51 K 4.5131 7.6198 116.3050 58.9469 32.4424 176.4514 52 L 4.7451 7.9757 119.0948 54.2568 42.7775 177.6437 53 G 4.0445 8.8960 108.6349 45.0322 0.0000 173.4935 54 T 5.7108 7.9572 110.2234 58.3007 71.7347 173.5868 55 L 4.5432 8.7809 126.8519 56.3062 41.3910 176.4334 56 H 4.7801 8.9558 118.4808 54.5849 31.3871 175.1722 57 G 4.1115 8.5433 102.7445 45.0487 0.0000 175.7597 58 G 3.7480 7.5208 107.9064 47.8884 0.0000 175.5658 59 L 3.9938 8.3022 123.4611 57.7706 42.0719 178.8449 60 T 3.9121 8.1024 115.0611 67.7073 68.3782 175.0506 61 A 3.8930 9.6221 121.8170 55.2717 18.1053 179.6628 62 T 3.5214 7.8604 110.2154 64.4138 68.0224 176.0838 63 L 4.1107 8.0118 120.6920 57.0207 41.7279 178.9793 64 V 3.8497 7.3916 117.6853 66.1647 31.9524 176.5360 65 D 4.2451 9.0264 117.3360 57.4986 40.7919 176.1629 66 S 4.4251 7.5231 116.1764 59.4710 63.5035 173.8351 67 I 3.2306 9.6255 122.3492 62.1783 33.0078 173.7278 68 S 4.5229 7.4866 117.5065 59.7738 69.2586 177.7932 69 T 3.8279 8.0876 112.6290 62.5559 66.3028 174.3938 *71 A 4.2991 7.8930 120.0268 51.0647 18.8353 177.5668 72 L 4.6004 7.4165 119.6359 56.2194 42.5707 177.8683 *74 C 4.3535 8.3458 115.4686 61.0208 29.4710 177.3754 75 T 3.1700 6.5637 102.8643 62.8459 70.0995 171.0280 *80 P 4.1304 0.0000 0.0000 61.5612 32.6479 175.4495 81 G 4.3025 8.2911 112.8878 45.0688 0.0000 171.1395 82 V 4.5558 8.0062 113.3656 59.4469 33.9837 176.3837 83 S 4.3916 8.7663 120.0663 59.7581 63.1233 172.9578 84 V 4.2983 8.5109 118.9922 63.8624 32.8466 175.0229 85 D 4.8828 7.6476 117.0422 52.4170 45.7207 172.7010 *87 N 4.8264 8.4833 116.6305 52.8741 38.9372 173.4660 88 I 4.6915 8.0603 119.9418 60.0352 41.5489 174.5676 89 T 4.4882 8.5762 122.3223 61.9952 71.8321 173.0014 90 Y 4.8714 8.5555 123.1427 56.2635 40.8842 175.0919 *92 S 4.2041 8.3709 114.6771 57.3698 63.3820 171.7556 93 P 4.6548 0.0000 0.0000 62.7403 32.5426 175.1975 94 A 4.7582 8.3676 122.1213 50.1190 21.7244 175.9664 95 K 4.6484 8.6360 121.9479 55.6632 34.1021 176.3427 96 I 3.7866 7.9192 123.5279 62.5429 37.5975 175.2920 97 G 4.1579 8.9780 119.0830 45.8988 0.0000 174.1773 98 E 4.1623 8.5043 120.1353 56.3407 30.8966 175.7411 99 E 5.1163 8.8302 124.3346 54.2943 32.6516 174.4388 100 I 4.9902 8.3263 118.9880 59.2126 41.2927 174.5358 101 V 4.8831 8.2740 115.7742 59.7069 35.8115 174.9802 102 I 4.6870 8.3696 122.3052 59.9628 40.8167 173.7401 103 T 4.8550 9.1914 127.4327 61.8690 70.3839 173.9496 104 A 5.0654 8.0734 128.2761 50.6028 22.8106 175.2973 105 H 5.5312 8.2985 117.4031 54.1422 32.8870 173.1982 106 I 3.9877 8.3443 125.4818 61.8024 36.8124 176.3138 107 L 4.3552 9.2936 128.4655 56.8047 42.6586 177.6236 108 K 4.7017 7.9988 118.6107 54.9712 35.6731 176.5426 109 Q 4.3520 8.5259 123.8221 56.6688 30.2278 175.3195 110 G 3.6964 7.3513 106.5646 43.8883 0.0000 176.6032 111 K 4.0777 8.4821 118.3190 59.4793 32.9210 177.7385 112 T 4.7642 7.7832 110.2781 61.2967 69.6991 173.5649 113 L 5.1923 7.8728 119.4595 52.9935 46.4226 175.1280 114 A 4.8176 8.2699 122.3568 50.2145 23.0715 174.9865 115 F 5.2615 8.7734 117.8270 55.8227 43.0988 174.0771 116 A 5.1292 8.5896 122.4674 51.0551 21.9059 175.3411 117 S 4.8003 8.9527 115.2037 56.8777 65.9036 172.8447 118 V 4.7961 8.7031 127.4363 61.1587 34.3831 173.6741 119 D 5.1077 9.0176 126.1478 52.3217 44.2170 174.1211 120 L 5.4512 8.6800 128.1388 53.0810 44.0183 175.5034 121 T 4.8470 8.2997 116.8584 60.2927 72.4152 172.5051 122 N 5.0374 8.6079 120.8090 51.9256 40.0998 175.4239 123 K 3.8722 8.6876 128.2453 59.9813 32.4494 177.8435 124 T 3.9556 7.7936 111.4613 65.4787 67.5197 175.1152 125 T 3.8784 7.8687 117.3303 64.7495 68.6686 176.1906 126 G 4.1413 7.9804 108.5750 45.8058 0.0000 174.1323 127 K 4.1951 7.6256 119.5898 55.8220 33.3444 176.3516 128 L 3.9885 8.5757 127.2409 55.8859 42.0464 175.5308 129 I 4.3245 8.6294 127.6828 62.4013 37.4924 176.2517 130 A 4.7633 7.2128 120.3155 51.2415 23.6617 173.4931 131 Q 4.5698 8.5702 115.4514 55.6767 33.2513 173.1607 132 G 4.3769 8.5104 112.0001 45.1586 0.0000 171.7432 133 R 5.2894 8.0775 122.1618 54.8983 33.5448 174.1636 134 H 5.0206 9.0290 120.8678 55.5620 33.9435 172.4113 135 T 4.9135 9.4336 121.6586 61.8262 72.0852 173.1642 136 K 4.9116 8.6749 123.1831 55.0564 37.6001 174.4614 137 H 4.9596 9.1844 122.2830 54.8583 31.4049 173.4838 138 L 4.5693 8.9052 127.0686 54.0336 42.8886 177.1779 139 G 4.0177 8.6021 111.9881 45.8959 0.0000 172.9708 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 13 K 8.31 4.16 0.00 1.76 1.86 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.55 7.81 14 V 8.29 3.58 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 0.26 0.00 0.00 0.93 0.00 0.00 *16 F 8.53 4.52 0.00 2.95 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 17 K 8.30 3.90 0.00 1.80 1.95 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.36 1.33 7.81 18 V 7.42 4.19 2.13 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 0.93 0.00 0.00 0.95 0.00 0.00 19 P 0.00 4.61 0.00 2.10 2.05 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 20 G 8.10 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 21 F 8.29 4.81 0.00 3.01 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 22 D 7.61 3.91 0.00 2.25 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 *24 V 7.42 3.75 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 0.78 0.00 0.00 0.91 0.00 0.00 25 L 7.08 5.06 0.00 1.86 1.68 1.14 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.42 4.66 0.00 1.97 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 2.27 2.40 0.00 27 K 8.26 3.87 0.00 1.79 1.84 0.00 2.00 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.47 7.81 28 V 8.18 4.44 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 0.82 0.00 0.00 1.09 0.00 0.00 29 T 7.70 5.45 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 1.20 0.00 0.00 30 L 7.87 4.47 0.00 1.51 0.55 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.67 4.18 1.67 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 -0.56 0.00 0.00 0.75 0.00 0.00 32 S 8.02 4.51 0.00 3.80 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 33 A 8.97 4.84 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 34 A 7.82 4.84 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 35 P 0.00 4.33 0.00 2.20 2.09 0.00 3.87 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 1.99 1.99 0.00 36 E 9.26 3.73 0.00 2.24 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 0.00 2.29 2.29 0.00 37 K 7.31 4.89 0.00 1.73 1.68 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.13 7.81 38 L 7.30 4.82 0.00 1.68 1.43 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.01 4.28 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.87 0.00 0.00 40 C 8.26 4.74 0.00 2.79 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 41 E 7.93 5.58 0.00 1.77 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 2.25 1.98 0.00 *43 K 8.59 4.44 0.00 1.67 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.80 7.81 44 V 8.52 3.97 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 1.07 0.00 0.00 1.01 0.00 0.00 45 E 8.72 5.06 0.00 1.92 1.75 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 2.29 2.29 0.00 46 E 8.61 3.87 0.00 2.13 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 0.00 2.36 2.33 0.00 47 Q 8.05 3.97 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.15 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 48 H 8.02 4.41 0.00 3.39 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.35 4.33 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 1.36 0.00 0.00 50 N 7.67 4.93 0.00 2.66 2.71 0.00 0.00 7.44 7.89 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 51 K 7.62 4.51 0.00 1.73 1.85 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.55 7.81 52 L 7.98 4.75 0.00 1.57 1.59 0.90 0.74 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 53 G 8.90 4.04 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 0.00 0.00 0.00 54 T 7.96 5.71 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 1.29 0.00 0.00 55 L 8.78 4.54 0.00 1.78 1.84 0.96 0.75 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 56 H 8.96 4.78 0.00 3.14 3.38 0.00 5.46 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 57 G 8.54 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 58 G 7.52 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 59 L 8.30 3.99 0.00 1.78 1.70 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.10 3.91 4.53 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 1.31 0.00 0.00 61 A 9.62 3.89 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 62 T 7.86 3.52 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 1.36 0.00 0.00 63 L 8.01 4.11 0.00 1.91 1.71 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.39 3.85 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 0.80 0.00 0.00 0.95 0.00 0.00 65 D 9.03 4.25 0.00 2.70 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 66 S 7.52 4.43 0.00 3.90 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 67 I 9.63 3.23 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.89 0.00 0.00 68 S 7.49 4.52 0.00 3.81 4.12 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 69 T 8.09 3.83 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 1.29 0.00 0.00 *71 A 7.89 4.30 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 72 L 7.42 4.60 0.00 1.98 1.69 0.89 0.87 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 *74 C 8.35 4.35 0.00 3.03 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 75 T 6.56 3.17 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 1.25 0.00 0.00 *80 P 0.00 4.13 0.00 2.20 2.15 0.00 3.67 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 1.87 1.96 0.00 81 G 8.29 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 82 V 8.01 4.56 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 0.68 0.00 0.00 1.02 0.00 0.00 83 S 8.77 4.39 0.00 3.78 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 84 V 8.51 4.30 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 0.74 0.00 0.00 0.97 0.00 0.00 85 D 7.65 4.88 0.00 2.81 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 *87 N 8.48 4.83 0.00 2.81 2.96 0.00 0.00 5.67 7.68 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 88 I 8.06 4.69 1.47 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 1.22 0.39 0.40 0.00 0.00 89 T 8.58 4.49 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 1.20 0.00 0.00 90 Y 8.56 4.87 0.00 2.91 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 *92 S 8.37 4.20 0.00 4.01 3.84 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 93 P 0.00 4.65 0.00 2.12 2.04 0.00 3.78 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 2.00 1.98 0.00 94 A 8.37 4.76 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 95 K 8.64 4.65 0.00 1.89 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.44 7.81 96 I 7.92 3.79 1.88 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 1.17 1.02 0.98 0.00 0.00 97 G 8.98 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 0.00 0.00 0.00 0.00 98 E 8.50 4.16 0.00 1.91 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 2.40 2.50 0.00 99 E 8.83 5.12 0.00 2.02 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 0.00 2.26 2.26 0.00 100 I 8.33 4.99 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.92 0.00 0.00 101 V 8.27 4.88 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 0.82 0.00 0.00 0.92 0.00 0.00 102 I 8.37 4.69 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.46 0.89 0.00 0.00 103 T 9.19 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 1.08 0.00 0.00 104 A 8.07 5.07 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 0.00 105 H 8.30 5.53 0.00 3.15 3.19 0.00 5.83 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 0.00 106 I 8.34 3.99 1.89 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 1.35 0.74 1.08 0.00 0.00 107 L 9.29 4.36 0.00 1.64 1.75 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.00 4.70 0.00 1.91 1.98 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.80 7.81 109 Q 8.53 4.35 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.18 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 110 G 7.35 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 0.00 111 K 8.48 4.08 0.00 1.87 1.97 0.00 1.44 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.52 7.81 112 T 7.78 4.76 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 0.00 113 L 7.87 5.19 0.00 1.57 1.01 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.27 4.82 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 0.00 115 F 8.77 5.26 0.00 2.82 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 0.00 116 A 8.59 5.13 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 0.00 117 S 8.95 4.80 0.00 3.89 3.67 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 0.00 118 V 8.70 4.80 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 0.94 0.00 0.00 0.95 0.00 0.00 119 D 9.02 5.11 0.00 2.82 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 0.00 120 L 8.68 5.45 0.00 1.73 1.51 0.94 0.63 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 0.00 121 T 8.30 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 1.23 0.00 0.00 122 N 8.61 5.04 0.00 2.82 2.72 0.00 0.00 7.27 6.80 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 0.00 123 K 8.69 3.87 0.00 1.91 1.84 0.00 1.85 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.37 7.81 124 T 7.79 3.96 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 1.30 0.00 0.00 125 T 7.87 3.88 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 1.25 0.00 0.00 126 G 7.98 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 0.00 0.00 0.00 127 K 7.63 4.20 0.00 1.78 1.75 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.50 7.81 128 L 8.58 3.99 0.00 1.63 1.59 1.08 1.03 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 0.00 129 I 8.63 4.32 1.98 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 1.01 1.04 0.00 0.00 130 A 7.21 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.57 4.57 0.00 2.26 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 132 G 8.51 4.38 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 0.00 0.00 0.00 133 R 8.08 5.29 0.00 1.74 1.80 0.00 3.34 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 134 H 9.03 5.02 0.00 3.17 3.04 0.00 5.59 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 0.00 135 T 9.43 4.91 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 1.03 0.00 0.00 136 K 8.67 4.91 0.00 1.51 1.69 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 1.07 7.81 137 H 9.18 4.96 0.00 3.17 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.91 4.57 0.00 1.43 1.50 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.60 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 * Residues marked with a * may have inaccurate shift predictions.