NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.6322 8.3644 119.5569 52.5730 40.8817 176.6334 17 L 4.0107 8.9486 118.6152 54.9666 43.9627 174.5308 18 I 4.2172 8.6537 126.7332 60.9568 39.2699 174.1181 19 W 4.8880 9.7095 135.0000 55.9340 33.8270 174.2291 20 G 4.1255 7.0293 110.2150 44.9157 0.0000 171.5569 21 C 4.3763 7.2537 113.6493 56.1315 33.4575 172.1831 22 E 4.9207 8.5096 121.0522 54.6622 30.7890 174.8286 23 L 4.9916 8.6969 127.9755 53.7336 44.1377 175.5518 24 N 4.8753 8.4052 118.9835 52.3686 40.0671 174.0147 25 E 4.0760 8.9052 119.1079 59.5661 29.9763 178.0683 26 Q 4.1569 8.3187 116.4846 58.5482 29.2043 176.4991 27 N 4.9745 8.7200 117.7465 51.0659 38.3510 175.0322 28 K 4.2648 8.2330 121.8512 58.5130 33.7855 176.6448 29 T 5.2666 7.9562 115.5764 61.5393 71.3995 173.5976 30 F 4.6821 9.6093 128.0351 56.4383 42.5007 172.8987 31 E 4.9501 8.4629 127.7127 54.8738 30.9111 174.5130 32 F 5.1152 9.9742 131.4501 57.0250 41.1762 174.5236 33 K 4.6119 7.7945 124.7257 54.1876 35.0298 177.4593 34 V 3.7276 7.8850 129.1654 61.8657 31.6653 176.6008 *41 C 4.5260 8.6739 113.4217 58.9636 29.3407 173.0181 42 E 4.2409 7.0716 112.6891 52.6672 31.8919 172.0633 43 H 4.6998 8.4157 127.1439 55.6772 28.4192 175.3793 44 Q 4.4425 8.4161 122.9812 55.7367 30.5593 174.8652 45 L 4.6030 9.0132 123.5988 53.6864 43.7967 174.8789 46 A 5.0707 8.9116 129.0253 50.3694 20.7662 175.8851 47 L 4.5248 8.6350 123.6431 54.9427 42.3849 176.8458 48 R 4.6206 9.1358 121.7069 57.7024 32.5864 176.1229 49 T 5.1382 7.7538 107.0078 60.3271 72.9587 172.8123 50 V 5.0019 8.6504 121.7826 61.5401 35.1214 173.9411 51 C 5.1841 9.0423 120.0540 57.3869 33.0789 172.9598 52 L 4.8060 8.3816 120.8632 53.7298 43.0443 176.8880 53 G 4.2151 8.4188 109.1453 45.6753 0.0000 174.5819 54 D 4.6108 8.8571 119.2438 54.9357 39.8797 177.2669 55 K 4.3603 7.8637 117.3798 55.7454 32.5360 176.1980 56 A 4.5272 7.3607 121.9344 51.5677 18.7306 178.2694 57 K 4.2448 8.3174 119.6563 56.4708 32.9651 177.4931 58 D 4.7835 8.1671 121.9422 52.7205 39.3242 174.4801 59 E 4.5668 7.7431 119.5905 54.2372 33.3908 174.9798 60 F 4.6704 8.5533 118.8635 57.7725 39.9749 174.9086 61 H 5.1515 9.8108 120.3382 54.1261 31.3173 173.3169 62 I 5.2344 8.9397 123.2651 59.4279 41.1438 174.7412 63 V 4.9914 8.8226 125.4736 59.9226 34.4454 174.3621 64 E 5.2116 9.1676 119.9873 54.8425 33.5992 174.0822 65 I 4.5730 8.5518 122.4650 60.3526 38.0945 174.7339 66 V 4.7550 8.5932 127.7383 60.9529 33.6002 176.0207 67 D 4.4607 8.7872 124.5526 53.5643 40.7163 174.0194 *73 E 4.5817 8.1062 120.1113 56.4137 30.4691 174.7485 74 K 4.6450 9.0626 127.0350 55.0935 35.6727 175.1579 75 S 5.1617 8.7716 120.4841 56.8627 64.7783 173.6078 76 V 4.2726 8.5810 125.8350 60.2530 33.1037 173.0497 77 P 5.0023 0.0000 0.0000 62.9992 31.2721 176.4662 78 I 4.6450 8.9589 115.9163 60.7581 39.7803 175.4280 79 A 4.7604 7.7994 123.3436 50.9900 22.5875 175.0270 80 T 5.2200 8.5452 117.2690 61.8767 71.8176 173.4554 81 L 5.0957 8.8840 124.4142 53.3679 46.9662 175.3288 82 K 4.7312 9.0978 121.2779 54.8752 35.4057 174.8031 83 P 4.2123 0.0000 0.0000 65.5707 31.3412 177.2054 84 S 4.5942 7.7236 109.3996 58.2843 63.5390 173.7953 85 I 4.2490 7.3409 119.4838 62.5141 39.1380 176.2517 86 L 4.2486 8.2155 126.7547 54.1689 43.0196 173.0396 87 P 4.5769 0.0000 0.0000 63.2411 32.0722 175.2186 88 M 5.0589 7.5139 114.7970 55.1457 34.1212 173.3516 89 A 4.7158 8.8382 119.2902 51.0736 23.2100 175.3024 90 T 4.7918 8.4618 117.1097 62.6667 70.0218 174.1168 91 M 4.7075 8.7353 126.3688 53.4984 33.9726 175.7846 92 V 4.2555 8.1223 122.2372 62.1146 34.3465 176.4091 93 G 3.8937 9.0316 114.8599 45.6132 0.0000 173.2372 94 I 3.9341 7.3394 120.2729 61.5723 37.5505 174.6168 95 E 5.0809 8.6743 126.8641 54.4154 31.5336 175.7539 96 L 4.8469 9.1127 124.3688 52.8501 45.8771 174.8904 97 D 5.0964 8.4269 120.9077 51.9092 42.2429 174.6067 98 P 4.6550 0.0000 0.0000 61.9819 32.1315 174.2039 99 P 4.7931 0.0000 0.0000 62.7659 32.4167 175.5510 100 V 4.4348 8.5818 120.9260 61.4139 34.9678 174.0852 101 T 5.0727 7.7336 122.9727 61.8068 71.3344 172.9995 102 F 5.2528 9.1474 125.2371 55.9228 41.5670 174.9200 103 R 5.1069 9.1261 122.8871 54.5911 33.8193 174.2045 104 L 4.9464 8.5915 128.1006 53.4578 39.8195 175.6021 105 K 4.1121 8.5072 124.6433 59.0611 33.0368 176.0628 106 A 4.5756 8.2495 118.7406 51.7765 22.8992 176.2017 107 G 3.8476 9.0024 106.9331 45.2123 0.0000 173.6469 108 S 4.4344 8.4050 113.3177 57.3635 64.1521 176.0534 109 G 3.8055 8.0656 109.5413 43.6366 0.0000 170.4962 110 P 4.4265 0.0000 0.0000 62.5847 32.5667 175.4282 111 L 4.9056 8.6435 125.6236 53.3544 44.9892 174.4919 112 Y 5.2183 9.1828 123.7258 56.2974 40.9803 174.6861 113 I 4.9360 8.2673 123.6283 59.4230 40.6607 174.7821 114 S 4.9123 8.8433 120.0843 56.9953 66.7360 172.9470 115 G 4.4240 9.0823 107.4803 46.0979 0.0000 171.7092 116 Q 4.9464 8.8572 117.7968 53.9666 33.1900 175.0181 117 H 4.8140 8.0338 120.9738 56.0145 29.3893 176.0611 118 V 4.0774 8.7975 116.5614 61.5901 32.8209 175.2748 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 16 D 8.36 4.63 0.00 2.71 2.37 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 17 L 8.95 4.01 0.00 1.89 1.71 0.98 0.61 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 18 I 8.65 4.22 1.88 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 1.20 0.81 0.90 0.00 0.00 19 W 9.71 4.89 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.03 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 C 7.25 4.38 0.00 1.77 1.52 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 22 E 8.51 4.92 0.00 2.08 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 2.11 2.00 0.00 23 L 8.70 4.99 0.00 1.59 1.59 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.41 4.88 0.00 2.65 2.71 0.00 0.00 6.90 7.82 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 25 E 8.91 4.08 0.00 2.10 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 2.29 2.33 0.00 26 Q 8.32 4.16 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 27 N 8.72 4.97 0.00 2.84 2.81 0.00 0.00 7.09 7.13 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 28 K 8.23 4.26 0.00 1.75 1.90 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.66 1.62 7.81 29 T 7.96 5.27 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 1.26 0.00 0.00 30 F 9.61 4.68 0.00 3.21 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 31 E 8.46 4.95 0.00 1.99 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 2.20 2.30 0.00 32 F 9.97 5.12 0.00 3.63 3.22 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 0.00 33 K 7.79 4.61 0.00 1.45 1.47 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.22 1.30 7.81 34 V 7.89 3.73 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 0.68 0.00 0.00 0.92 0.00 0.00 *41 C 8.67 4.53 0.00 2.96 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 42 E 7.07 4.24 0.00 1.98 1.80 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 2.15 2.33 0.00 43 H 8.42 4.70 0.00 3.38 3.58 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.42 4.44 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 45 L 9.01 4.60 0.00 1.10 1.21 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.91 5.07 1.23 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 0.00 0.00 0.00 47 L 8.63 4.52 0.00 1.57 1.62 1.08 0.74 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 48 R 9.14 4.62 0.00 1.67 1.92 0.00 3.26 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 49 T 7.75 5.14 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 1.19 0.00 0.00 50 V 8.65 5.00 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 1.04 0.00 0.00 0.92 0.00 0.00 51 C 9.04 5.18 0.00 3.01 2.97 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 52 L 8.38 4.81 0.00 1.53 1.53 0.77 0.69 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 53 G 8.42 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 0.00 0.00 0.00 0.00 54 D 8.86 4.61 0.00 2.80 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 55 K 7.86 4.36 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.36 7.81 56 A 7.36 4.53 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 57 K 8.32 4.24 0.00 1.76 1.74 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.41 7.81 58 D 8.17 4.78 0.00 2.64 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 59 E 7.74 4.57 0.00 1.92 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 0.00 2.33 2.25 0.00 60 F 8.55 4.67 0.00 3.04 3.06 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 61 H 9.81 5.15 0.00 3.07 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.94 5.23 1.91 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 1.30 1.35 1.02 0.00 0.00 63 V 8.82 4.99 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 1.01 0.00 0.00 1.10 0.00 0.00 64 E 9.17 5.21 0.00 2.14 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 2.41 2.30 0.00 65 I 8.55 4.57 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.83 0.78 0.00 0.00 66 V 8.59 4.76 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 0.93 0.00 0.00 67 D 8.79 4.46 0.00 2.86 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 *73 E 8.11 4.58 0.00 2.02 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 2.19 2.32 0.00 74 K 9.06 4.64 0.00 1.79 1.85 0.00 1.33 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.64 7.81 75 S 8.77 5.16 0.00 3.77 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 76 V 8.58 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 0.99 0.00 0.00 0.93 0.00 0.00 77 P 0.00 5.00 0.00 1.98 1.99 0.00 3.68 0.00 0.00 3.87 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 78 I 8.96 4.65 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 1.02 0.00 0.00 79 A 7.80 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 80 T 8.55 5.22 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 1.24 0.00 0.00 81 L 8.88 5.10 0.00 1.58 1.60 0.92 0.74 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 82 K 9.10 4.73 0.00 1.42 1.41 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.64 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.23 7.81 83 P 0.00 4.21 0.00 2.02 2.08 0.00 3.75 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 2.12 2.02 0.00 84 S 7.72 4.59 0.00 3.89 4.03 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 85 I 7.34 4.25 1.90 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 1.18 0.97 0.99 0.00 0.00 86 L 8.22 4.25 0.00 1.67 1.56 0.94 0.96 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 87 P 0.00 4.58 0.00 2.24 2.39 0.00 3.79 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 1.93 0.00 88 M 7.51 5.06 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 89 A 8.84 4.72 1.23 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 0.00 0.00 0.00 90 T 8.46 4.79 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 91 M 8.74 4.71 0.00 1.88 2.11 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 2.55 2.60 0.00 92 V 8.12 4.26 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 1.02 0.00 0.00 0.93 0.00 0.00 93 G 9.03 3.89 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 0.00 0.00 0.00 94 I 7.34 3.93 1.90 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 1.25 0.57 0.95 0.00 0.00 95 E 8.67 5.08 0.00 1.81 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 2.20 2.48 0.00 96 L 9.11 4.85 0.00 1.46 1.49 0.99 0.76 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 97 D 8.43 5.10 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.12 2.12 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 99 P 0.00 4.79 0.00 2.21 2.01 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 100 V 8.58 4.43 1.68 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 0.70 0.00 0.00 0.98 0.00 0.00 101 T 7.73 5.07 4.34 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 0.00 0.00 0.00 1.22 0.00 0.00 102 F 9.15 5.25 0.00 3.32 3.14 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 0.00 103 R 9.13 5.11 0.00 1.88 1.76 0.00 3.11 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 104 L 8.59 4.95 0.00 1.75 1.62 1.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.51 4.11 0.00 1.99 1.89 0.00 2.03 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.49 7.81 106 A 8.25 4.58 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 0.00 107 G 9.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.41 4.43 0.00 3.98 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 0.00 109 G 8.07 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 0.00 110 P 0.00 4.43 0.00 1.45 1.67 0.00 3.46 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 2.04 2.08 0.00 111 L 8.64 4.91 0.00 1.60 1.38 0.94 0.81 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 0.00 112 Y 9.18 5.22 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.27 4.94 1.44 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.66 0.00 0.00 114 S 8.84 4.91 0.00 3.76 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 0.00 115 G 9.08 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 0.00 0.00 0.00 0.00 116 Q 8.86 4.95 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 117 H 8.03 4.81 0.00 3.21 3.22 0.00 5.61 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 0.00 118 V 8.80 4.08 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 0.77 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.