NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 H 4.7864 8.4449 117.8346 55.9954 29.7573 173.1594 31 M 4.0978 8.7309 124.6688 56.4509 32.4138 174.7706 32 S 4.8239 7.6773 113.1828 56.3950 67.6589 172.1518 33 I 4.6287 8.0382 114.2863 59.3393 40.4730 173.7967 34 H 5.0269 8.6127 120.0895 54.3479 31.2635 173.7330 35 S 4.7376 8.2514 119.8306 56.8909 66.0007 173.3790 36 G 4.0498 7.9651 109.0668 44.9399 0.0000 172.8865 37 R 4.0983 8.3091 115.5108 55.8873 30.3218 176.1464 38 I 4.1591 8.1739 120.6816 61.3207 38.4409 174.7256 39 A 5.7613 8.8577 126.8419 49.1350 22.1778 175.0706 40 A 4.7224 8.5166 122.0972 50.1725 23.0191 175.3397 41 V 4.3759 8.4176 121.8288 63.1621 32.5010 174.9501 42 H 4.8682 9.3274 123.5820 54.2617 33.8357 172.6997 43 N 5.0215 8.7446 118.8130 52.5945 38.6301 174.7202 44 V 4.0509 8.1685 124.5808 59.0641 34.0384 174.2029 45 P 4.6369 0.0000 0.0000 62.4417 31.9996 177.0923 46 L 3.9219 8.6421 124.0757 58.0396 41.7963 179.9843 47 S 4.1844 7.9606 111.8283 60.9092 62.9704 175.5356 48 V 3.7740 7.4993 119.0659 62.8382 31.6564 175.9534 49 L 4.4098 7.6018 122.1338 54.4025 42.1265 176.7211 50 I 3.8020 8.6677 126.2317 61.0240 38.3303 175.5824 51 R 4.3830 8.1305 125.4014 53.5504 29.6204 173.4877 52 P 4.3881 0.0000 0.0000 64.0129 32.1480 176.7492 53 L 4.8719 7.4652 116.9264 51.6441 44.1844 174.4030 54 P 4.4487 0.0000 0.0000 63.0747 31.9271 175.7572 55 S 4.6251 8.2801 115.1078 57.0332 64.5284 174.2523 56 V 4.2337 8.2057 123.3677 61.2386 31.8957 174.9076 57 L 4.5567 8.2738 126.9757 52.4970 44.6144 176.3725 58 D 4.6800 8.9378 122.5542 52.7295 42.0451 175.1299 59 P 4.2916 0.0000 0.0000 65.6455 31.3576 178.4613 60 A 4.0782 8.2766 119.6447 54.6913 18.2652 179.6014 61 K 3.9063 8.0761 118.0625 59.3111 32.3212 178.9499 62 V 3.6277 7.9904 118.7329 66.2945 31.4884 177.9153 63 Q 3.9447 8.0615 119.0127 58.9185 28.7516 177.9152 64 S 4.0721 8.2421 114.3908 61.4501 62.4524 176.1050 65 L 3.9525 7.8931 121.5889 57.7472 41.3339 179.5648 66 V 3.4561 7.8247 118.1180 66.1880 31.4122 177.8224 67 D 4.3033 8.0969 118.3063 57.7808 40.7071 178.9854 68 T 3.8717 8.1822 116.4942 66.5840 68.1802 176.8448 69 I 3.6239 7.8808 121.2033 64.2874 37.1533 178.2805 70 R 4.0041 7.5942 117.6208 59.3886 30.0450 178.4261 71 E 4.3280 7.8877 116.0887 57.7521 31.5040 177.0358 72 D 4.7770 8.4698 117.8658 52.5341 42.5874 173.7454 73 P 4.3091 0.0000 0.0000 65.9178 31.9817 179.1621 74 D 4.3990 8.0925 117.5336 56.5291 40.7831 177.0267 75 S 4.3140 8.0620 112.1563 58.5464 63.4016 174.0245 76 V 4.2222 7.6851 122.3680 60.4760 31.6745 173.6136 77 P 4.4864 0.0000 0.0000 61.4583 31.9037 174.6841 78 P 4.7034 0.0000 0.0000 63.3430 31.7393 175.9206 79 I 4.2111 8.3706 115.8660 60.6851 39.3795 174.5568 80 D 5.1059 8.6085 124.1334 54.1389 42.0067 175.9781 81 V 4.6378 8.6708 122.2397 61.0461 35.2120 174.2055 82 L 4.8165 9.2549 128.7610 54.3305 43.0155 175.7345 83 W 5.2106 9.6413 135.0000 56.4390 31.8773 174.6840 84 I 4.9782 9.1785 129.1889 59.4646 39.6392 174.8992 85 K 5.0050 8.5366 125.7261 54.8494 33.7555 177.0657 86 G 3.9859 9.4880 114.5244 44.2873 0.0000 174.0519 87 A 3.9783 8.6291 122.1939 54.6636 18.2102 178.6176 88 Q 4.5405 8.2392 113.7306 55.8259 29.1681 176.8302 89 G 3.9556 8.5583 105.6590 45.3841 0.0000 174.9547 90 G 3.7888 7.8499 107.0638 46.3365 0.0000 172.3783 91 D 5.4067 8.1906 121.8428 52.7597 42.7904 175.6173 92 Y 4.4490 8.9243 120.1631 56.0406 42.5094 174.4685 93 F 5.3848 8.6748 121.4922 56.2115 41.9641 173.4062 94 Y 4.7492 9.1642 122.6644 56.0626 40.2372 174.9813 95 S 4.8185 8.4618 119.0800 56.4210 64.4319 173.2767 96 F 4.7016 8.3146 125.0391 56.4742 42.3929 176.7291 97 G 3.7615 8.9098 113.0804 46.1753 0.0000 172.7223 98 G 3.7403 8.4895 103.9840 46.8908 0.0000 173.3062 *100 H 4.7068 8.4224 122.0011 55.5196 30.9939 176.5890 101 R 4.0756 8.1112 117.7697 59.3337 29.8962 178.2422 102 Y 3.9801 8.3634 119.1475 60.8038 38.8557 178.1330 103 A 4.0848 8.2884 120.9245 55.0906 18.5157 179.3584 104 A 3.9201 8.3246 119.5090 55.5222 18.5191 179.4167 105 Y 3.8471 8.5113 115.7140 61.2625 37.8339 178.9182 106 Q 3.9057 8.0580 118.8828 59.1872 28.5918 179.0744 107 Q 4.0077 7.8883 117.8238 58.5347 28.8214 177.8534 108 L 4.1719 7.6969 117.3712 54.2080 42.0176 176.5611 109 Q 3.4466 7.9959 117.1127 56.6427 27.0522 174.4816 110 R 4.1452 7.7478 115.0078 56.2298 31.1396 177.0073 111 E 4.2613 8.8021 122.4690 58.6749 30.8271 176.0593 112 T 5.1241 7.7482 106.7038 59.7477 72.6777 173.1347 113 I 4.0581 8.2164 120.9138 58.2192 41.9174 172.4250 114 P 4.8650 0.0000 0.0000 62.7134 32.4513 175.1261 115 A 5.1221 8.9923 125.9468 49.9831 23.1559 174.8375 116 K 4.6179 9.0488 124.2852 55.7883 33.6493 176.1003 117 L 4.8369 9.2861 129.9717 54.3956 42.8219 176.3783 118 V 4.5192 9.1778 126.1953 61.0278 33.0579 175.1313 119 Q 4.5860 8.8334 128.5025 56.4729 28.9197 176.1588 120 S 4.9531 8.9152 119.2998 57.4565 68.0069 172.9031 121 T 4.6158 8.9381 111.1954 59.3749 71.3257 175.3651 122 L 3.9575 8.3209 120.7055 57.9304 41.1777 179.8347 123 S 4.0805 7.9885 113.9180 61.7336 62.9156 175.8910 124 D 4.5043 8.0224 121.3585 57.3239 40.5510 178.6838 125 L 4.0441 7.9541 120.7211 58.2093 42.0488 178.8184 126 R 4.3572 8.1656 120.1740 58.7359 29.5664 178.3453 127 V 3.4136 7.0912 115.9776 66.1992 31.4450 177.1836 128 Y 3.9255 7.6636 114.3382 59.9212 38.4323 176.8378 129 L 4.5334 8.2363 118.5005 53.7396 43.2474 177.8675 130 G 3.6576 8.8358 108.2623 46.1916 0.0000 177.0630 131 A 4.0248 8.7483 125.8193 54.6770 18.3240 178.3689 132 S 4.4775 7.7449 108.3686 58.6852 63.4815 174.4585 133 T 3.8923 7.9248 120.3000 63.1883 68.3545 172.1853 134 P 4.6813 0.0000 0.0000 62.4784 32.3834 176.7592 135 D 4.5790 8.2086 120.8791 53.1536 39.5191 175.0603 136 L 3.8925 7.6661 122.6690 54.2773 42.9592 177.6137 137 Q 4.3186 8.6110 120.3218 56.1308 29.1425 175.5064 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 30 H 8.44 4.79 0.00 3.15 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.73 4.10 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 32 S 7.68 4.82 0.00 3.81 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 33 I 8.04 4.63 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 1.31 0.56 0.92 0.00 0.00 34 H 8.61 5.03 0.00 3.09 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.25 4.74 0.00 3.95 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 36 G 7.97 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 37 R 8.31 4.10 0.00 2.05 1.95 0.00 3.08 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 38 I 8.17 4.16 2.02 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 1.30 0.64 0.99 0.00 0.00 39 A 8.86 5.76 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 40 A 8.52 4.72 1.30 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 41 V 8.42 4.38 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 0.83 0.00 0.00 0.94 0.00 0.00 42 H 9.33 4.87 0.00 2.93 2.97 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.74 5.02 0.00 2.54 2.73 0.00 0.00 6.90 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 44 V 8.17 4.05 1.73 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 0.67 0.00 0.00 0.52 0.00 0.00 45 P 0.00 4.64 0.00 2.07 1.92 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 46 L 8.64 3.92 0.00 1.60 1.61 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.96 4.18 0.00 3.95 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 48 V 7.50 3.77 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 0.43 0.00 0.00 0.95 0.00 0.00 49 L 7.60 4.41 0.00 1.78 1.62 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.67 3.80 0.90 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 0.66 0.00 0.00 51 R 8.13 4.38 0.00 1.42 1.51 0.00 3.08 0.00 0.00 2.37 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.00 52 P 0.00 4.39 0.00 2.28 2.27 0.00 3.18 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 53 L 7.47 4.87 0.00 1.74 1.66 1.16 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.45 0.00 2.19 2.07 0.00 3.80 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 2.02 2.01 0.00 55 S 8.28 4.63 0.00 3.87 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 56 V 8.21 4.23 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 0.86 0.00 0.00 0.96 0.00 0.00 57 L 8.27 4.56 0.00 1.63 1.51 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.94 4.68 0.00 2.76 2.62 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 59 P 0.00 4.29 0.00 2.21 2.11 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 60 A 8.28 4.08 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 61 K 8.08 3.91 0.00 1.79 1.89 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.64 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.31 1.44 7.81 62 V 7.99 3.63 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 0.96 0.00 0.00 1.01 0.00 0.00 63 Q 8.06 3.94 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 S 8.24 4.07 0.00 4.04 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 65 L 7.89 3.95 0.00 1.94 1.72 1.02 0.93 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 66 V 7.82 3.46 2.32 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 0.96 0.00 0.00 1.00 0.00 0.00 67 D 8.10 4.30 0.00 2.90 2.68 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 68 T 8.18 3.87 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 1.21 0.00 0.00 69 I 7.88 3.62 1.77 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.46 0.00 0.00 70 R 7.59 4.00 0.00 1.92 1.96 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 71 E 7.89 4.33 0.00 1.93 1.98 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 2.28 2.40 0.00 72 D 8.47 4.78 0.00 2.64 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 73 P 0.00 4.31 0.00 2.29 2.42 0.00 3.75 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 2.08 1.99 0.00 74 D 8.09 4.40 0.00 2.70 2.79 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 0.00 0.00 0.00 75 S 8.06 4.31 0.00 4.00 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 76 V 7.69 4.22 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 0.94 0.00 0.00 0.96 0.00 0.00 77 P 0.00 4.49 0.00 2.12 2.00 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 78 P 0.00 4.70 0.00 2.14 2.05 0.00 3.78 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 2.01 1.99 0.00 79 I 8.37 4.21 1.91 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 1.31 0.76 0.95 0.00 0.00 80 D 8.61 5.11 0.00 2.67 2.73 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 81 V 8.67 4.64 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 0.96 0.00 0.00 0.94 0.00 0.00 82 L 9.25 4.82 0.00 1.89 1.76 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 83 W 9.64 5.21 0.00 3.53 3.13 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 84 I 9.18 4.98 2.08 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 1.40 0.65 0.95 0.00 0.00 85 K 8.54 5.01 0.00 1.54 1.72 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.51 0.00 0.00 0.00 0.00 1.31 1.08 7.81 86 G 9.49 3.99 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 0.00 0.00 0.00 87 A 8.63 3.98 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 88 Q 8.24 4.54 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 89 G 8.56 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.85 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.19 5.41 0.00 2.41 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 0.00 0.00 0.00 92 Y 8.92 4.45 0.00 3.04 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 93 F 8.67 5.38 0.00 2.85 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 94 Y 9.16 4.75 0.00 2.91 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 95 S 8.46 4.82 0.00 3.70 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.70 0.00 2.76 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 97 G 8.91 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 98 G 8.49 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 *100 H 8.42 4.71 0.00 3.36 3.48 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.11 4.08 0.00 1.98 2.17 0.00 3.31 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 102 Y 8.36 3.98 0.00 3.21 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 0.00 103 A 8.29 4.08 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 0.00 104 A 8.32 3.92 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 0.00 105 Y 8.51 3.85 0.00 2.85 2.89 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 0.00 106 Q 8.06 3.91 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.94 2.27 0.00 107 Q 7.89 4.01 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 108 L 7.70 4.17 0.00 1.60 1.59 0.67 0.93 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 0.00 109 Q 8.00 3.45 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 110 R 7.75 4.15 0.00 2.06 2.13 0.00 3.34 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 111 E 8.80 4.26 0.00 2.07 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 2.33 2.31 0.00 112 T 7.75 5.12 4.22 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 0.00 0.00 0.00 1.14 0.00 0.00 113 I 8.22 4.06 1.32 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.16 0.77 0.00 0.00 114 P 0.00 4.86 0.00 2.05 1.92 0.00 3.03 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 115 A 8.99 5.12 1.10 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 0.00 0.00 116 K 9.05 4.62 0.00 1.88 1.90 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 117 L 9.29 4.84 0.00 1.83 1.92 0.38 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.18 4.52 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 0.88 0.00 0.00 1.03 0.00 0.00 119 Q 8.83 4.59 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.47 0.00 0.00 0.00 0.00 0.00 1.88 2.46 0.00 120 S 8.92 4.95 0.00 3.77 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 0.00 121 T 8.94 4.62 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 122 L 8.32 3.96 0.00 1.68 1.72 0.89 0.80 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 0.00 123 S 7.99 4.08 0.00 3.81 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 0.00 124 D 8.02 4.50 0.00 2.93 2.79 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 0.00 0.00 0.00 125 L 7.95 4.04 0.00 1.66 1.74 0.44 0.12 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 0.00 126 R 8.17 4.36 0.00 1.95 2.03 0.00 3.17 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 127 V 7.09 3.41 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 0.45 0.00 0.00 0.84 0.00 0.00 128 Y 7.66 3.93 0.00 2.45 2.32 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 0.00 129 L 8.24 4.53 0.00 1.66 1.71 0.93 0.97 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 0.00 130 G 8.84 3.66 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 0.00 0.00 0.00 131 A 8.75 4.02 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 0.00 132 S 7.74 4.48 0.00 4.04 3.99 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 0.00 133 T 7.92 3.89 4.20 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 1.13 0.00 0.00 134 P 0.00 4.68 0.00 2.09 2.03 0.00 3.66 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 1.91 2.00 0.00 135 D 8.21 4.58 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.67 3.89 0.00 1.57 1.00 0.79 0.12 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 0.00 137 Q 8.61 4.32 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.