NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.9689 8.3544 109.7444 45.8051 0.0000 172.5874 12 Y 4.3287 9.3862 120.3766 56.3463 41.3402 172.7128 13 D 4.0574 8.9693 128.9419 54.5905 41.0502 174.7583 14 E 3.9238 7.9920 118.3039 58.9902 29.5341 178.3090 15 E 3.8479 7.9341 119.0983 59.1340 29.8875 178.6493 16 K 3.8963 7.8355 119.2219 59.2951 32.3856 178.4911 17 V 3.5828 7.9246 118.8614 66.4384 31.3025 177.8531 18 N 4.5376 8.5823 116.2252 56.2970 38.2826 177.6855 19 R 3.9153 8.0019 119.5764 59.4224 30.1833 179.2385 20 I 4.0770 7.7783 120.8921 63.7510 37.0407 178.3964 21 Q 4.1527 8.3512 119.2804 58.9315 28.2879 179.2036 22 G 3.6033 8.1312 106.1453 47.7730 0.0000 175.2490 23 D 4.5141 8.2131 121.3875 57.2741 40.7966 178.9333 24 L 4.0073 8.4920 119.6953 57.9121 41.3395 179.6568 25 Q 4.0352 8.1690 117.6000 58.4709 28.7165 177.8830 26 T 4.3269 7.5887 107.7477 61.1774 69.6627 174.8293 27 V 4.4290 6.7634 114.9873 59.9840 34.8822 176.3212 28 D 4.6828 8.0690 122.2547 53.0476 37.9846 176.8488 29 I 3.7524 7.5653 124.8542 64.0775 37.6840 177.8330 30 S 4.2123 8.1470 114.8570 61.4211 62.8107 176.7047 31 G 3.6181 8.6021 109.3447 47.4203 0.0000 175.9392 32 V 3.6296 7.6331 120.1159 65.9248 31.5267 178.3088 33 S 4.1375 8.3090 115.2931 61.6181 62.7481 176.7930 34 Q 3.9692 8.0170 120.6922 59.0359 28.5272 178.6149 35 I 3.7277 7.7395 119.6779 64.0126 38.0305 177.9034 36 L 4.0159 7.9341 119.9210 57.7703 41.5982 179.6408 37 K 4.0153 8.3193 118.2568 59.1166 31.6726 179.2907 38 A 4.0972 7.6046 120.4344 55.2176 18.8513 179.4678 39 I 3.9137 7.8087 110.3332 63.0558 37.6931 177.8272 40 A 4.1529 7.9199 122.3657 53.3828 18.8645 177.3795 41 D 4.2775 7.2968 115.7003 54.9917 41.8383 177.1861 42 E 3.9781 8.9757 126.2764 59.5473 29.6520 178.8266 43 N 4.2965 8.1051 115.9887 56.4035 38.6792 177.5763 44 R 3.9331 8.8688 119.4903 58.8920 30.0057 178.9971 45 A 4.1842 8.3771 122.7566 54.4686 18.3315 179.8534 46 K 3.9763 7.8131 116.9722 59.5248 32.0361 179.5693 47 I 3.6787 7.8368 120.0494 64.7255 36.8438 178.3449 48 T 3.8559 7.9717 115.2901 66.9424 68.7715 175.2964 49 Y 4.2170 8.7330 121.3189 60.9845 38.7242 178.2777 50 A 3.9465 8.5448 121.7044 55.1187 18.3261 179.0695 51 L 4.1783 7.9718 115.0234 56.4786 41.9734 178.5600 52 C 4.2338 7.5754 116.0471 61.6521 28.1490 175.0930 53 Q 4.1293 7.6117 119.2238 56.5058 29.1423 175.6248 54 D 5.0304 7.0675 116.7953 51.8267 44.6962 175.5967 55 E 4.1544 8.9129 120.3135 59.0674 29.6807 176.9949 56 E 5.6975 7.5546 114.7652 54.6341 32.6367 174.1289 57 L 5.0071 8.4473 120.1256 53.3318 46.8455 175.6259 58 C 4.8998 8.5403 116.6195 57.1187 31.7382 175.0896 59 V 3.6112 8.4685 118.6509 65.0267 30.8608 178.0927 60 C 4.1108 8.0662 116.8753 62.6390 28.0417 175.3610 61 D 4.3883 8.1302 119.8611 57.6183 40.4082 178.8093 62 I 3.6541 7.7339 119.6930 64.5017 37.1659 178.3451 63 A 3.9876 8.3175 121.8378 55.2337 17.9512 179.1642 64 N 4.3626 8.0982 114.5675 56.4250 39.0951 177.1781 65 I 3.8851 8.0390 121.1087 64.4544 37.3755 178.1709 66 L 4.1592 8.0687 118.8223 55.5470 41.4807 177.6342 67 G 3.8071 8.2255 105.9738 46.8004 0.0000 173.2098 68 V 4.5276 7.5079 110.8570 58.2730 35.6105 176.1499 69 T 4.1647 8.0507 111.2239 61.5669 70.5370 175.5835 70 I 3.6409 8.2259 122.4175 64.4480 37.2406 178.1530 71 A 4.1128 8.0013 122.5650 54.8272 18.0686 179.2464 72 N 4.2783 8.3581 114.3330 56.3210 38.5892 177.5986 73 A 4.0085 8.2299 122.3960 55.2081 18.1270 179.7083 74 S 4.0006 8.7591 113.4622 61.9287 62.8406 175.7921 75 H 4.0312 8.6613 122.0330 59.7862 29.5054 176.8605 76 H 4.1607 8.3779 117.5475 58.8102 28.5244 177.9808 77 L 3.8623 8.0110 120.9601 57.3653 41.1166 179.1907 78 R 3.9136 7.9444 118.1436 59.9725 30.1062 178.1856 79 T 4.0261 7.6534 113.8134 66.8897 68.5754 176.3843 80 L 4.1695 8.0332 119.2926 58.8018 42.1216 178.0825 81 Y 4.6396 7.9893 124.2262 56.3245 40.7448 174.8638 *96 L 4.2972 8.0934 119.3717 55.1330 42.9532 176.1712 97 Y 4.6791 9.0440 122.3653 56.9659 40.4111 175.1756 98 S 5.0595 8.4723 115.9272 56.8162 66.3713 174.0994 99 L 4.0725 8.6590 121.8951 55.1023 41.7936 179.1066 100 G 3.8351 8.7229 112.5212 48.1734 0.0000 173.5864 101 D 4.6303 7.4230 117.1351 52.0109 45.7187 175.9682 102 E 3.9694 8.7349 125.1656 59.6201 29.5279 179.2923 103 H 4.2096 9.5548 117.7263 58.9700 28.8962 177.7238 104 I 3.7146 7.9027 121.1471 64.4099 36.8740 178.2458 105 R 3.9152 7.7065 119.5115 59.8538 29.8074 178.5893 106 Q 4.0265 8.3818 117.8941 58.6773 28.5996 178.4764 107 I 3.6975 7.9125 121.0994 64.5871 37.1822 178.0242 108 M 4.0438 7.9106 118.2593 59.0465 32.0633 178.1502 109 M 4.1377 8.3652 119.1128 58.5578 32.1144 178.9280 110 I 3.7306 8.3057 120.1716 64.2555 37.1796 178.3164 111 A 4.0677 8.2971 121.9110 55.0094 18.0846 179.5383 112 L 3.8746 8.1872 118.6436 58.1406 42.1557 178.8228 113 A 3.9943 8.2922 121.1082 55.5614 18.3157 179.1388 114 H 4.3552 8.6152 118.3286 58.9363 29.7539 177.6785 115 K 3.9774 8.1544 119.4270 59.3739 31.9076 179.1555 116 K 4.1445 8.2252 118.3363 58.8405 31.8970 178.8713 117 E 4.0184 8.4884 120.0508 58.3387 29.4868 176.8504 118 V 3.9078 7.1100 121.5976 63.1228 33.7743 169.8886 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 11 G 8.35 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 0.00 0.00 0.00 12 Y 9.39 4.33 0.00 2.88 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 13 D 8.97 4.06 0.00 1.70 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 0.00 0.00 0.00 14 E 7.99 3.92 0.00 1.98 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 2.46 2.31 0.00 15 E 7.93 3.85 0.00 1.99 1.88 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 2.34 2.34 0.00 16 K 7.84 3.90 0.00 1.81 1.72 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.92 3.58 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 0.99 0.00 0.00 1.00 0.00 0.00 18 N 8.58 4.54 0.00 2.76 2.84 0.00 0.00 7.10 7.63 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 19 R 8.00 3.92 0.00 2.05 1.97 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 20 I 7.78 4.08 1.87 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 1.53 1.51 0.91 0.00 0.00 21 Q 8.35 4.15 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 22 G 8.13 3.60 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 0.00 0.00 0.00 23 D 8.21 4.51 0.00 2.89 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 24 L 8.49 4.01 0.00 1.78 1.72 0.92 0.82 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 25 Q 8.17 4.04 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 26 T 7.59 4.33 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 27 V 6.76 4.43 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 0.68 0.00 0.00 1.02 0.00 0.00 28 D 8.07 4.68 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.75 1.87 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 1.69 0.81 0.91 0.00 0.00 30 S 8.15 4.21 0.00 4.04 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 31 G 8.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.63 3.63 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 1.02 0.00 0.00 0.98 0.00 0.00 33 S 8.31 4.14 0.00 4.06 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 0.00 34 Q 8.02 3.97 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 35 I 7.74 3.73 1.87 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 1.53 1.23 1.00 0.00 0.00 36 L 7.93 4.02 0.00 1.84 1.70 0.92 0.81 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 37 K 8.32 4.02 0.00 2.09 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 38 A 7.60 4.10 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 39 I 7.81 3.91 1.89 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 1.70 0.93 0.93 0.00 0.00 40 A 7.92 4.15 1.41 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 0.00 0.00 41 D 7.30 4.28 0.00 2.86 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 42 E 8.98 3.98 0.00 2.10 1.92 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 2.36 2.45 0.00 43 N 8.11 4.30 0.00 2.70 2.59 0.00 0.00 7.15 7.66 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 44 R 8.87 3.93 0.00 1.86 2.00 0.00 3.15 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 45 A 8.38 4.18 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 0.00 0.00 46 K 7.81 3.98 0.00 1.94 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.75 7.81 47 I 7.84 3.68 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.88 0.00 0.00 48 T 7.97 3.86 4.42 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 1.25 0.00 0.00 49 Y 8.73 4.22 0.00 3.11 3.19 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 50 A 8.54 3.95 1.38 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 51 L 7.97 4.18 0.00 1.62 1.74 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 C 7.58 4.23 0.00 2.86 2.82 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 53 Q 7.61 4.13 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.03 2.38 0.00 54 D 7.07 5.03 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.15 0.00 2.07 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 0.00 2.27 2.31 0.00 56 E 7.55 5.70 0.00 1.97 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 2.18 2.19 0.00 57 L 8.45 5.01 0.00 1.60 1.56 0.93 0.85 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 58 C 8.54 4.90 0.00 3.07 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 59 V 8.47 3.61 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 1.04 0.00 0.00 0.89 0.00 0.00 60 C 8.07 4.11 0.00 3.00 3.03 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 61 D 8.13 4.39 0.00 2.91 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 62 I 7.73 3.65 1.93 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 1.40 0.55 0.85 0.00 0.00 63 A 8.32 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.36 0.00 2.92 2.86 0.00 0.00 7.29 7.28 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 65 I 8.04 3.89 2.00 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 1.54 0.81 0.95 0.00 0.00 66 L 8.07 4.16 0.00 1.72 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.23 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.51 4.53 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 0.87 0.00 0.00 0.95 0.00 0.00 69 T 8.05 4.16 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 70 I 8.23 3.64 1.87 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 1.57 0.85 0.91 0.00 0.00 71 A 8.00 4.11 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 72 N 8.36 4.28 0.00 2.93 2.91 0.00 0.00 7.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.23 4.01 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 74 S 8.76 4.00 0.00 4.01 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 75 H 8.66 4.03 0.00 3.20 3.51 0.00 5.79 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 76 H 8.38 4.16 0.00 3.19 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.01 3.86 0.00 1.51 1.01 0.30 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.94 3.91 0.00 1.90 2.09 0.00 3.29 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 79 T 7.65 4.03 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 1.22 0.00 0.00 80 L 8.03 4.17 0.00 1.66 1.79 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.99 4.64 0.00 3.19 3.04 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 *96 L 8.09 4.30 0.00 1.57 1.67 0.98 0.77 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 97 Y 9.04 4.68 0.00 3.11 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 98 S 8.47 5.06 0.00 3.73 3.73 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 99 L 8.66 4.07 0.00 1.71 1.62 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.72 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 0.00 0.00 0.00 101 D 7.42 4.63 0.00 2.80 2.46 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 0.00 102 E 8.73 3.97 0.00 1.94 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 2.37 2.31 0.00 103 H 9.55 4.21 0.00 3.47 3.32 0.00 5.64 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 0.00 104 I 7.90 3.71 2.02 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 1.69 1.28 0.93 0.00 0.00 105 R 7.71 3.92 0.00 1.84 2.14 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 106 Q 8.38 4.03 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 107 I 7.91 3.70 2.04 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 1.42 0.76 0.92 0.00 0.00 108 M 7.91 4.04 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.78 0.00 109 M 8.37 4.14 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 3.00 0.00 110 I 8.31 3.73 1.94 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 1.47 0.68 0.92 0.00 0.00 111 A 8.30 4.07 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 0.00 112 L 8.19 3.87 0.00 2.07 1.85 0.84 1.20 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 0.00 113 A 8.29 3.99 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 0.00 114 H 8.62 4.36 0.00 3.28 3.54 0.00 5.84 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 0.00 115 K 8.15 3.98 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.63 7.81 116 K 8.23 4.14 0.00 1.71 1.86 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 117 E 8.49 4.02 0.00 2.02 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 2.27 2.30 0.00 118 V 7.11 3.91 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 0.67 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.