NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 G 4.2501 7.7774 107.8407 46.6501 0.0000 172.8023 23 G 4.1448 9.1600 110.4181 43.4496 0.0000 170.4658 24 I 5.8057 8.3994 119.4707 57.9823 42.0853 172.5505 *26 I 4.1315 8.0372 119.2078 61.4022 38.2080 174.9969 27 S 4.8275 8.4248 117.9342 56.0353 65.0777 175.0730 28 S 4.2817 8.6708 119.1272 60.5106 62.8790 174.8382 29 T 4.2574 7.5676 110.4099 61.4908 69.0032 175.3778 30 G 4.1109 8.0983 110.4293 46.0670 0.0000 173.0821 31 E 4.6617 8.0289 121.4621 56.0133 31.2453 175.5385 32 V 4.7092 9.1746 126.1517 61.1008 34.9772 173.8716 33 R 5.1091 8.6905 127.6070 54.4640 33.1363 173.9832 34 V 4.9708 8.9457 126.0304 61.2461 34.9560 173.8752 35 D 5.1148 9.1702 126.5893 52.8638 44.9524 174.5204 36 N 5.0129 9.6763 123.5288 51.8522 40.9066 175.5910 37 G 3.9419 8.7002 118.7208 46.6402 0.0000 173.9282 38 S 4.3566 8.8532 119.6399 58.7229 63.5845 173.5095 39 F 4.4079 8.1367 125.5415 57.7715 39.8770 173.7811 40 H 5.2850 7.4845 124.1287 54.1893 32.3445 172.7619 41 S 4.7132 8.8496 116.9267 57.0349 67.3189 172.8742 42 D 4.8949 9.1546 119.0510 53.9977 44.6827 174.6646 43 V 5.0234 8.7320 118.6520 59.9622 37.1429 173.4426 44 D 5.3271 9.3195 121.8447 52.5283 44.1647 174.4431 45 V 4.8342 8.4506 125.9179 61.0672 33.6713 175.5147 46 S 4.5213 8.7505 123.1287 57.1559 64.3436 173.9045 47 A 4.0831 8.3953 122.8720 52.2975 18.7021 177.0963 48 V 4.4687 8.0361 120.2295 62.3497 32.8562 175.3470 49 T 4.9251 8.8124 116.9898 60.0768 71.9026 172.8723 50 T 5.2976 8.4162 111.8348 60.3868 72.1406 172.8989 51 Q 4.7485 9.0205 120.1138 54.0228 33.7116 174.3206 52 A 4.5251 8.6212 123.8648 52.3893 19.7454 177.5557 53 E 4.1707 10.0016 121.4564 56.2357 31.4075 175.1658 54 A 3.7718 9.3880 132.5457 53.3692 15.8145 177.8284 55 G 3.5739 8.2279 105.6297 46.2044 0.0000 172.5908 56 F 5.0057 7.6637 117.4899 55.5260 43.9291 173.2886 57 L 5.1495 9.2739 119.7309 53.3270 44.2498 175.9741 58 R 5.0544 9.4481 124.1221 54.9055 31.9585 174.9001 59 A 4.9320 9.2498 129.0976 51.2188 20.7545 176.1360 60 R 5.0887 9.2802 119.6983 54.5858 34.6734 174.7226 61 G 4.5699 9.2801 108.6341 45.0571 0.0000 171.1599 62 T 4.9936 8.8672 117.4720 61.4654 71.5343 173.3706 63 I 4.8395 8.3346 126.1702 59.5491 39.8245 174.8215 64 I 4.6483 8.7451 128.3116 59.2461 40.0084 175.0793 65 S 4.4852 9.2304 122.8087 57.8428 63.5052 174.2670 66 K 4.7591 8.6537 125.7483 56.1280 33.2811 175.6578 67 S 4.9265 7.9826 114.4198 55.8230 64.9090 173.0928 68 P 4.4677 0.0000 0.0000 64.0932 31.8074 175.8697 69 K 4.5455 7.6380 118.6354 54.6815 34.3164 176.2357 70 D 4.7036 8.6310 121.9826 55.1846 41.8972 175.6447 71 Q 5.0245 9.2126 121.0401 54.1553 33.1490 174.3808 72 R 5.2119 8.4090 120.2389 54.9099 33.5397 173.7569 73 L 4.9253 8.9929 124.8290 54.7477 44.8520 174.4384 74 Q 5.5252 8.7661 116.4139 54.5074 32.4860 174.6947 75 Y 5.8470 9.0833 119.1607 55.8749 42.1125 173.9047 76 K 4.4715 8.6330 117.9608 55.7825 36.2163 174.4647 77 F 5.1783 8.6597 120.1158 56.3094 41.1907 175.2541 78 T 4.6270 8.7786 118.5772 61.5457 72.0988 173.0362 79 W 5.0946 8.4634 124.2703 55.2321 32.4109 174.4255 80 Y 5.4265 9.2042 120.0740 56.5574 42.0611 175.6863 81 D 5.1862 8.8612 121.5910 51.4147 42.0001 176.4505 82 I 3.6253 8.4940 117.9247 64.2477 37.7683 176.5769 83 N 4.6722 8.4803 114.3215 52.6672 38.8351 175.5465 84 G 3.9006 8.4959 106.5792 45.4757 0.0000 173.9307 85 A 4.3333 8.4385 123.5116 51.5190 19.0622 177.7510 86 T 4.2413 8.5174 112.1304 62.0455 69.7083 174.4366 87 V 4.1817 8.6822 128.4227 61.5393 31.7001 175.3105 88 E 3.8920 8.7220 124.7706 57.3387 30.0670 174.7729 89 D 4.6407 8.6752 125.6860 50.9383 41.7817 174.7952 90 E 3.9123 8.2737 119.6295 57.0526 30.4608 177.3315 91 G 4.1572 8.8834 113.1714 45.1184 0.0000 173.9931 92 V 3.9928 7.3710 119.7425 61.7486 32.0398 174.1810 93 S 4.2701 8.0327 126.6871 56.7293 63.4310 173.0086 94 W 4.4018 8.7985 118.9955 56.8904 29.4915 175.9190 95 K 4.6969 8.7465 123.1533 54.3936 35.2991 175.6464 96 S 4.8746 8.6652 117.7684 58.2828 63.7379 173.1145 97 L 4.7949 9.2328 127.3240 53.5056 45.3466 174.5893 98 K 4.8813 8.7997 127.6169 55.1490 33.9170 175.4482 99 L 4.8173 8.7875 126.7723 53.0013 44.7192 176.0867 100 H 5.1614 8.8846 121.9581 54.6486 30.2704 175.5795 101 G 3.8787 8.6280 108.0562 46.6900 0.0000 173.7602 102 K 4.1997 8.5752 121.4020 56.2548 30.9083 175.9014 103 Q 4.1026 8.0862 120.9346 55.9355 29.4966 174.6219 104 Q 4.7881 8.1260 123.1509 53.9219 32.0941 174.1191 *106 Q 4.2052 8.2508 119.4261 55.8902 30.0199 174.2187 107 V 4.5920 8.4267 117.9887 60.1458 34.8845 174.5422 108 T 5.1684 8.5452 115.6860 61.2002 70.6892 172.3834 109 A 4.7538 8.2567 125.8387 50.7062 23.1242 174.9946 110 L 5.2249 8.2914 119.3130 52.5040 44.1202 176.8833 111 S 2.7900 8.2551 118.2757 57.3303 62.8138 172.9586 112 P 4.0221 0.0000 0.0000 65.2058 31.5798 175.6901 113 N 5.1417 7.3892 112.9530 51.3782 39.9790 174.7744 114 A 4.0606 8.5139 120.9858 54.8540 18.5748 178.9168 115 T 4.0087 8.2377 105.9004 63.5038 69.3024 174.6308 116 A 4.6243 7.7372 126.4345 52.3725 18.6065 177.2380 117 V 4.6048 9.0666 115.9368 61.3364 34.5545 176.0985 118 R 4.9792 8.2426 117.4626 54.6052 34.7513 173.7297 119 C 5.0119 8.5104 119.4491 57.7261 34.9350 172.5739 120 E 4.6785 9.1007 124.2547 54.2562 33.0170 173.7751 121 L 4.6446 8.1314 126.7984 53.4274 44.2553 174.9265 122 Y 4.8847 8.7272 122.7873 56.1901 41.8902 174.6582 123 V 5.4648 8.7349 121.7578 61.3083 34.9719 174.6248 124 R 4.9084 9.2144 123.0456 54.6477 33.0790 173.5873 125 E 5.0307 8.4543 116.7529 55.1800 32.9749 174.0535 126 A 4.4227 8.4256 122.9142 50.8714 20.2799 176.6889 127 I 3.3672 7.6626 113.0556 58.5622 40.3822 174.7523 128 S 4.4918 6.8045 114.5461 56.7075 66.1246 173.7319 129 N 4.5025 8.5786 116.5191 53.8531 38.3782 175.2760 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 22 G 7.78 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 0.00 0.00 0.00 0.00 23 G 9.16 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 24 I 8.40 5.81 1.90 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 1.45 1.54 0.93 0.00 0.00 *26 I 8.04 4.13 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 1.31 0.67 0.92 0.00 0.00 27 S 8.42 4.83 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 4.28 0.00 4.01 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 0.00 29 T 7.57 4.26 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 30 G 8.10 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 31 E 8.03 4.66 0.00 2.06 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 2.38 2.42 0.00 32 V 9.17 4.71 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 0.92 0.00 0.00 0.95 0.00 0.00 33 R 8.69 5.11 0.00 2.02 1.73 0.00 3.33 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 34 V 8.95 4.97 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 1.19 0.00 0.00 1.03 0.00 0.00 35 D 9.17 5.11 0.00 2.63 2.58 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 36 N 9.68 5.01 0.00 2.83 2.85 0.00 0.00 6.67 7.94 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 37 G 8.70 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 0.00 0.00 0.00 38 S 8.85 4.36 0.00 4.03 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 39 F 8.14 4.41 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 40 H 7.48 5.28 0.00 2.85 3.01 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.85 4.71 0.00 3.91 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 42 D 9.15 4.89 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.73 5.02 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 0.58 0.00 0.00 0.95 0.00 0.00 44 D 9.32 5.33 0.00 2.62 2.45 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 45 V 8.45 4.83 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 0.87 0.00 0.00 0.93 0.00 0.00 46 S 8.75 4.52 0.00 3.90 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 47 A 8.40 4.08 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 48 V 8.04 4.47 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 0.88 0.00 0.00 0.96 0.00 0.00 49 T 8.81 4.93 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 1.22 0.00 0.00 50 T 8.42 5.30 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 1.27 0.00 0.00 51 Q 9.02 4.75 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 52 A 8.62 4.53 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 53 E 10.00 4.17 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 54 A 9.39 3.77 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 55 G 8.23 3.57 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 0.00 0.00 0.00 56 F 7.66 5.01 0.00 3.08 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 57 L 9.27 5.15 0.00 1.59 1.80 1.19 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.45 5.05 0.00 1.89 1.84 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 59 A 9.25 4.93 0.61 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 0.00 0.00 60 R 9.28 5.09 0.00 1.68 1.79 0.00 3.09 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 61 G 9.28 4.57 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 0.00 0.00 0.00 62 T 8.87 4.99 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 1.19 0.00 0.00 63 I 8.33 4.84 1.78 0.00 0.00 0.69 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 0.48 0.89 0.00 0.00 64 I 8.75 4.65 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.64 0.90 0.00 0.00 65 S 9.23 4.49 0.00 3.85 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 66 K 8.65 4.76 0.00 1.78 1.74 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.33 7.81 67 S 7.98 4.93 0.00 3.86 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 68 P 0.00 4.47 0.00 2.24 2.26 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 69 K 7.64 4.55 0.00 1.63 1.74 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.37 7.81 70 D 8.63 4.70 0.00 2.61 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 71 Q 9.21 5.02 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 72 R 8.41 5.21 0.00 1.77 1.75 0.00 3.21 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 73 L 8.99 4.93 0.00 1.97 1.77 1.04 0.60 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 74 Q 8.77 5.53 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 75 Y 9.08 5.85 0.00 2.99 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 76 K 8.63 4.47 0.00 1.31 0.99 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.74 7.81 77 F 8.66 5.18 0.00 2.88 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.78 4.63 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 0.77 0.00 0.00 79 W 8.46 5.09 0.00 3.15 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 80 Y 9.20 5.43 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.86 5.19 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.49 3.63 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.94 0.00 0.00 83 N 8.48 4.67 0.00 2.87 2.85 0.00 0.00 6.97 7.65 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 85 A 8.44 4.33 1.46 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 0.00 0.00 86 T 8.52 4.24 4.19 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 1.33 0.00 0.00 87 V 8.68 4.18 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 0.71 0.00 0.00 1.06 0.00 0.00 88 E 8.72 3.89 0.00 1.79 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 2.24 1.91 0.00 89 D 8.68 4.64 0.00 2.60 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 90 E 8.27 3.91 0.00 1.93 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 2.32 1.91 0.00 91 G 8.88 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 92 V 7.37 3.99 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 0.77 0.00 0.00 0.98 0.00 0.00 93 S 8.03 4.27 0.00 3.76 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 94 W 8.80 4.40 0.00 3.18 3.17 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 95 K 8.75 4.70 0.00 0.84 1.51 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.33 7.81 96 S 8.67 4.87 0.00 3.93 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 97 L 9.23 4.79 0.00 1.97 1.57 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.80 4.88 0.00 1.80 1.65 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.43 7.81 99 L 8.79 4.82 0.00 1.56 1.52 0.91 0.95 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 0.00 100 H 8.88 5.16 0.00 3.16 3.20 0.00 5.66 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 0.00 101 G 8.63 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 0.00 0.00 0.00 102 K 8.58 4.20 0.00 1.95 1.94 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.46 7.81 103 Q 8.09 4.10 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 104 Q 8.13 4.79 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.27 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 *106 Q 8.25 4.21 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.58 0.00 107 V 8.43 4.59 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 -0.01 0.00 0.00 0.75 0.00 0.00 108 T 8.55 5.17 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 0.00 109 A 8.26 4.75 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 0.00 110 L 8.29 5.22 0.00 1.39 1.28 0.85 0.91 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 0.00 111 S 8.26 2.79 0.00 3.00 2.63 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 0.00 0.00 0.00 0.00 112 P 0.00 4.02 0.00 1.90 1.98 0.00 2.96 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 113 N 7.39 5.14 0.00 2.93 2.91 0.00 0.00 6.14 7.92 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 0.00 114 A 8.51 4.06 1.21 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 0.00 0.00 115 T 8.24 4.01 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 1.21 0.00 0.00 116 A 7.74 4.62 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 V 9.07 4.60 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 0.85 0.00 0.00 1.01 0.00 0.00 118 R 8.24 4.98 0.00 1.86 1.87 0.00 3.27 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 119 C 8.51 5.01 0.00 1.77 2.26 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 0.00 120 E 9.10 4.68 0.00 2.16 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 1.47 1.95 0.00 121 L 8.13 4.64 0.00 1.27 1.26 0.23 0.62 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 0.00 122 Y 8.73 4.88 0.00 2.72 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 0.00 123 V 8.73 5.46 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 0.97 0.00 0.00 1.00 0.00 0.00 124 R 9.21 4.91 0.00 1.53 1.53 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 125 E 8.45 5.03 0.00 1.99 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 2.22 2.35 0.00 126 A 8.43 4.42 1.15 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 0.00 0.00 127 I 7.66 3.37 1.28 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.70 0.00 0.00 128 S 6.80 4.49 0.00 3.85 3.72 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 0.00 129 N 8.58 4.50 0.00 2.71 2.76 0.00 0.00 6.65 7.56 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 * Residues marked with a * may have inaccurate shift predictions.