NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 D 4.5647 8.3649 120.1892 53.9924 42.5115 175.4480 22 R 4.0981 7.7170 117.1783 54.4175 31.5607 175.4188 23 P 4.4773 0.0000 0.0000 62.3133 34.2396 177.5089 24 I 3.7103 8.2547 113.6019 64.3598 37.3323 178.3077 25 E 3.8064 8.0526 119.9082 59.2611 29.2812 179.0674 26 Q 4.0302 7.9705 117.7334 58.8194 28.7435 178.4801 27 Q 3.9488 8.0300 119.2210 58.8942 28.7132 178.7461 28 L 3.8562 7.9837 119.9454 57.6903 41.4927 179.4352 29 A 4.2396 7.8472 120.5328 55.3044 18.2713 179.7152 30 L 4.0405 8.3195 117.9021 57.7795 41.6671 179.9343 31 G 3.7900 8.3593 107.3481 47.3709 0.0000 175.0223 32 Y 3.3453 7.9898 122.1606 60.3081 38.7567 178.3698 33 I 3.7854 8.1035 120.7965 64.0016 37.2240 178.0558 34 K 3.7292 8.3924 120.7915 59.7330 31.9136 178.6094 35 A 3.9284 8.0229 120.7145 54.9406 18.2542 179.3461 36 L 3.8829 7.8133 119.1191 58.5125 41.9987 179.2141 37 T 3.9844 7.6393 108.1354 63.9728 69.0550 175.8765 38 E 4.0897 7.9100 119.2217 56.1098 29.8662 175.9739 39 H 3.6056 7.4244 114.7258 56.8512 26.8920 175.9557 40 D 4.4414 7.6300 120.3190 53.3610 39.7367 174.8848 41 Y 4.3309 7.6205 123.4470 60.2159 38.0066 177.2269 42 Q 4.0196 8.0837 119.6481 59.5831 29.4802 177.9903 43 T 4.0382 7.9191 116.6523 66.5927 68.5274 176.5537 44 L 4.0976 8.3371 122.8507 58.1162 42.1267 179.1079 45 S 4.4668 8.6616 114.3241 61.0916 62.6555 176.4791 46 K 4.0315 7.6880 121.6187 59.1417 31.6940 177.4194 47 Y 4.3911 8.1963 116.1149 59.2203 38.3988 174.7234 48 Y 5.2356 7.5943 117.4703 56.4174 40.3326 174.5619 49 N 5.1091 8.9578 118.4653 51.4395 40.5546 174.6042 50 R 3.9191 8.8519 117.0323 59.4161 29.8908 177.0061 51 D 4.8194 8.1990 114.5414 53.9877 42.1029 176.8036 52 S 4.5538 8.1279 116.4166 58.8681 64.3385 173.1969 53 V 4.8291 8.6482 123.1362 61.0471 34.3843 173.8726 54 F 5.2494 9.2776 130.2261 56.7471 41.5829 173.2889 55 Y 5.3264 9.2251 128.4006 56.1070 41.7578 173.9186 56 D 4.8663 9.1318 127.9404 52.6984 41.2859 176.6663 57 K 3.0814 8.1718 128.5247 58.9481 32.6583 179.2867 58 T 4.0300 7.9580 108.0260 63.4837 68.9921 175.0759 59 A 4.6421 7.8524 122.6041 51.0359 19.8797 175.6865 60 D 4.5865 7.6135 114.1883 55.7805 39.3585 173.7447 61 T 4.6558 7.8986 106.8840 59.8108 72.2747 173.3521 62 K 5.2048 7.9763 123.9606 55.1738 35.6980 174.6689 63 Y 4.6743 9.1029 123.6964 56.1875 41.9237 174.2702 64 I 4.8329 8.6940 123.8766 60.6391 40.2082 176.2731 65 G 4.2844 9.6304 112.9765 46.0227 0.0000 174.1740 66 T 3.8272 8.7376 118.2785 66.7017 68.4685 176.5580 67 R 3.8537 7.9148 119.4498 59.7259 30.2868 178.5693 68 S 4.1518 7.9633 114.3686 61.5480 62.7978 176.7637 69 I 3.6109 7.8055 122.4577 64.4641 36.8760 178.5847 70 I 3.6057 7.8675 120.5648 64.2211 36.8861 178.3615 71 A 3.8756 7.9865 121.6824 54.9096 18.1285 179.5642 72 F 3.8328 7.8234 119.0825 61.3113 39.2784 177.5037 73 L 3.1664 7.6070 118.8084 57.4005 41.1182 179.4682 74 Q 3.6806 7.6354 117.3187 58.8929 28.4247 178.6226 75 R 3.9539 7.5827 118.8359 59.5788 29.9325 179.2384 76 S 4.3735 7.3662 114.3346 60.9634 63.0457 175.7531 77 H 4.7983 7.8273 116.7979 54.1086 28.5201 174.3072 78 E 3.9816 7.1290 122.1252 57.8044 29.5293 177.3317 79 G 3.8986 8.9248 113.6080 45.4324 0.0000 173.4550 80 V 3.6396 7.6092 119.9448 63.2387 31.9590 175.6270 81 L 4.4861 8.7808 127.2342 56.5443 42.8041 177.1931 82 E 4.8712 7.9376 116.6893 54.6951 34.0783 174.6761 83 F 5.6139 8.7252 125.0011 57.3400 42.5912 172.5341 84 D 4.3855 9.1951 124.3908 53.1255 45.4292 173.6675 85 F 4.8957 8.3419 124.2377 56.4712 41.2524 174.7035 86 N 4.5258 9.0883 126.2035 52.1144 38.7828 174.2371 87 I 3.6568 7.6103 124.9365 60.8578 37.3285 175.8637 88 E 4.2580 8.9684 127.5795 58.8099 30.4968 175.4510 89 H 4.8415 7.6583 116.1910 55.0079 33.5992 171.7675 *91 F 4.8373 8.4574 114.3363 57.0317 39.4033 173.2312 92 N 5.4565 8.6704 114.5339 52.0346 40.5143 174.0564 93 T 4.5731 8.6310 116.6496 62.7410 71.7932 174.9375 94 G 3.8547 8.5172 117.3242 46.1486 0.0000 172.9588 95 P 4.4406 0.0000 0.0000 63.3917 31.8448 174.7699 96 L 4.8498 7.9396 123.4318 53.9792 43.5494 174.9961 97 V 4.6747 8.8913 127.1669 61.2713 33.8922 174.9371 98 V 4.3281 7.9233 127.5654 60.8521 34.5035 174.2803 *100 I 3.9715 8.0746 120.9758 60.9705 38.3055 175.4441 101 G 4.1781 8.2302 114.9960 45.9791 0.0000 171.4665 102 N 5.5198 8.5268 120.4906 52.2921 42.8104 173.6610 103 Y 5.0413 9.5007 124.5709 57.0986 39.9202 173.8493 104 H 5.5443 9.2106 125.0083 54.4733 32.3355 173.1681 105 L 5.1894 8.8449 126.9009 53.5154 45.8737 174.5342 106 R 4.8983 8.8747 126.5010 54.7494 33.2039 174.5897 107 G 4.1635 8.5490 112.3402 45.2082 0.0000 170.1255 108 P 4.7698 0.0000 0.0000 62.9894 31.8001 177.2121 109 G 4.2187 8.9486 111.1105 44.7879 0.0000 175.3721 110 E 3.9664 8.3661 121.0258 59.5740 29.6524 179.5230 111 Q 3.9132 8.1395 116.7542 58.2169 28.8673 177.6090 112 F 4.6718 8.1466 114.7078 56.8462 39.0720 175.9973 113 G 3.9715 8.0768 107.3284 46.3710 0.0000 175.2971 114 K 4.6424 8.3661 118.5846 53.3958 31.3562 174.0446 115 P 4.2485 0.0000 0.0000 63.8195 32.3321 178.2341 116 G 3.8749 9.3433 108.5613 45.9352 0.0000 173.1202 117 K 4.7713 7.4206 118.3840 54.4056 36.8759 175.0310 118 I 4.7843 8.3109 122.5805 60.0976 38.4707 175.4502 119 I 4.6182 8.7250 120.5698 59.3703 40.8522 174.4836 120 D 5.0642 8.8099 123.1254 53.1086 43.6516 174.3365 121 I 4.9776 9.0920 119.3696 59.1324 41.6970 174.5588 122 A 5.1379 9.5104 125.0229 50.7084 21.5557 175.5801 123 I 4.5041 8.9690 123.8882 59.3312 39.7958 174.1014 124 P 4.8846 0.0000 0.0000 63.1761 32.0090 175.9724 125 G 4.3210 9.3910 109.4223 45.3082 0.0000 171.7407 126 V 4.9680 8.8139 120.7706 61.1219 34.3748 174.3834 127 T 5.1274 8.8195 123.9724 61.9594 71.1525 173.3741 128 T 4.8547 8.6683 116.3151 60.0507 72.0459 173.4749 129 L 4.7854 8.5871 122.4400 52.8875 46.0776 175.0900 130 K 4.9869 8.6324 125.2299 54.5971 34.5000 174.6828 131 F 5.2714 8.6836 125.9206 55.4741 41.9155 174.8639 132 D 4.6522 9.2884 123.2371 53.3785 41.3180 175.5690 133 P 4.3155 0.0000 0.0000 65.5844 31.6568 177.3697 134 N 4.5786 9.1961 116.9117 55.1667 38.6738 175.8917 135 T 4.3966 7.8901 105.3743 60.5990 70.7841 174.9063 136 Q 3.9110 8.5604 119.4102 56.2044 26.9484 173.3884 137 R 4.7031 7.7953 117.5347 55.2315 31.9434 175.7008 138 L 3.9980 8.9106 125.2854 56.0752 42.1850 176.8568 139 T 4.2767 9.1855 124.1987 65.9734 69.7654 174.5228 140 E 5.1738 7.7309 120.7898 54.7452 33.5448 172.9656 141 Q 4.8483 9.2192 127.9431 54.2015 31.8014 174.1248 142 V 4.8579 8.5461 125.7394 61.2006 34.7329 173.6648 143 D 5.3416 8.9843 127.6726 52.6020 43.5046 175.3826 144 L 4.9736 8.4708 121.3143 51.9376 45.9402 175.4099 *146 D 4.5580 8.5556 119.8531 54.6479 40.9730 174.5260 147 Y 4.4884 7.9640 121.6651 60.1674 38.8495 177.2620 148 Q 4.1933 8.3428 120.8945 59.5351 29.4133 179.2940 149 T 4.1745 8.0958 113.4721 63.8537 67.8654 176.1028 *151 S 4.4203 8.2204 118.1379 58.5348 64.1473 175.4312 152 D 4.4172 8.4374 119.4572 57.5247 40.2678 178.5060 153 Q 4.1618 8.4858 118.8462 58.8184 28.6843 178.5665 154 L 3.7939 7.9476 119.1965 57.0095 41.5264 178.8442 155 Q 4.0733 7.5887 118.3732 58.7884 28.7304 177.9549 156 S 4.6333 7.2708 110.9648 58.1054 63.3585 174.1383 157 Q 4.2071 8.0061 125.9344 56.4872 28.9990 175.2162 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 21 D 8.36 4.56 0.00 2.65 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 22 R 7.72 4.10 0.00 1.91 1.82 0.00 3.47 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 23 P 0.00 4.48 0.00 2.24 1.97 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 24 I 8.25 3.71 1.82 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 1.62 0.76 0.89 0.00 0.00 25 E 8.05 3.81 0.00 2.08 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 0.00 2.52 2.44 0.00 26 Q 7.97 4.03 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 27 Q 8.03 3.95 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 28 L 7.98 3.86 0.00 0.95 0.49 0.52 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.85 4.24 1.48 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 0.00 0.00 30 L 8.32 4.04 0.00 1.81 1.71 0.88 1.07 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 31 G 8.36 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 32 Y 7.99 3.35 0.00 2.30 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 33 I 8.10 3.79 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.86 1.01 0.00 0.00 34 K 8.39 3.73 0.00 1.88 1.98 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 35 A 8.02 3.93 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 36 L 7.81 3.88 0.00 1.55 1.81 1.26 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.64 3.98 4.08 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 0.76 0.00 0.00 38 E 7.91 4.09 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 2.28 2.41 0.00 39 H 7.42 3.61 0.00 3.13 3.07 0.00 5.64 0.00 0.00 0.00 0.00 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.63 4.44 0.00 2.68 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.33 0.00 3.14 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 42 Q 8.08 4.02 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 43 T 7.92 4.04 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 1.29 0.00 0.00 44 L 8.34 4.10 0.00 1.83 1.79 0.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.66 4.47 0.00 4.27 4.43 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 46 K 7.69 4.03 0.00 1.54 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.55 7.81 47 Y 8.20 4.39 0.00 3.02 3.11 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 48 Y 7.59 5.24 0.00 3.13 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 49 N 8.96 5.11 0.00 2.94 3.00 0.00 0.00 6.80 8.05 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 50 R 8.85 3.92 0.00 1.82 2.06 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 51 D 8.20 4.82 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.13 4.55 0.00 3.89 4.06 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 53 V 8.65 4.83 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 0.94 0.00 0.00 0.93 0.00 0.00 54 F 9.28 5.25 0.00 3.21 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 55 Y 9.23 5.33 0.00 2.95 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 56 D 9.13 4.87 0.00 3.04 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 57 K 8.17 3.08 0.00 1.14 1.61 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.24 7.81 58 T 7.96 4.03 4.40 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 1.19 0.00 0.00 59 A 7.85 4.64 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 60 D 7.61 4.59 0.00 2.92 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 61 T 7.90 4.66 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 1.18 0.00 0.00 62 K 7.98 5.20 0.00 1.58 1.43 0.00 1.29 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.37 7.81 63 Y 9.10 4.67 0.00 2.70 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 64 I 8.69 4.83 1.86 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 1.25 0.56 0.96 0.00 0.00 65 G 9.63 4.28 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 0.00 66 T 8.74 3.83 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 1.40 0.00 0.00 67 R 7.91 3.85 0.00 1.88 1.92 0.00 3.19 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 68 S 7.96 4.15 0.00 4.09 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 69 I 7.81 3.61 1.39 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.85 0.00 0.00 70 I 7.87 3.61 1.95 0.00 0.00 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 1.69 1.06 0.74 0.00 0.00 71 A 7.99 3.88 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 72 F 7.82 3.83 0.00 1.88 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 73 L 7.61 3.17 0.00 1.51 1.68 1.20 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.64 3.68 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 1.42 1.73 0.00 75 R 7.58 3.95 0.00 1.95 1.84 0.00 3.08 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 76 S 7.37 4.37 0.00 3.20 3.40 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 77 H 7.83 4.80 0.00 3.16 3.03 0.00 5.65 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 78 E 7.13 3.98 0.00 2.05 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 2.29 2.29 0.00 79 G 8.92 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 80 V 7.61 3.64 2.04 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 0.85 0.00 0.00 0.87 0.00 0.00 81 L 8.78 4.49 0.00 1.67 1.72 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.94 4.87 0.00 1.89 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 2.34 2.33 0.00 83 F 8.73 5.61 0.00 2.84 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 84 D 9.20 4.39 0.00 2.70 2.41 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 85 F 8.34 4.90 0.00 2.18 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 86 N 9.09 4.53 0.00 2.66 2.69 0.00 0.00 6.74 7.88 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 87 I 7.61 3.66 1.54 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.35 0.63 0.00 0.00 88 E 8.97 4.26 0.00 1.93 1.99 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 2.27 2.19 0.00 89 H 7.66 4.84 0.00 3.10 3.25 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 F 8.46 4.84 0.00 3.10 3.11 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 92 N 8.67 5.46 0.00 2.89 2.78 0.00 0.00 5.79 7.71 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 93 T 8.63 4.57 4.31 0.00 0.00 0.00 0.00 0.00 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 94 G 8.52 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 95 P 0.00 4.44 0.00 2.40 2.37 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 96 L 7.94 4.85 0.00 1.83 1.74 0.88 0.81 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 97 V 8.89 4.67 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 0.83 0.00 0.00 1.07 0.00 0.00 98 V 7.92 4.33 0.67 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 0.65 0.00 0.00 *100 I 8.07 3.97 2.05 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.98 0.00 0.00 101 G 8.23 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 5.52 0.00 2.80 2.66 0.00 0.00 7.56 6.85 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 0.00 103 Y 9.50 5.04 0.00 2.98 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 0.00 104 H 9.21 5.54 0.00 3.27 3.21 0.00 5.56 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 0.00 105 L 8.84 5.19 0.00 1.91 1.44 0.67 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.87 4.90 0.00 1.86 1.71 0.00 3.42 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 107 G 8.55 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 0.00 108 P 0.00 4.77 0.00 2.05 2.03 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 109 G 8.95 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 0.00 110 E 8.37 3.97 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 2.41 2.42 0.00 111 Q 8.14 3.91 0.00 1.63 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 112 F 8.15 4.67 0.00 3.11 3.07 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 0.00 0.00 0.00 0.00 113 G 8.08 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 0.00 114 K 8.37 4.64 0.00 1.85 1.74 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.50 7.81 115 P 0.00 4.25 0.00 2.22 2.19 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 116 G 9.34 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 0.00 0.00 0.00 117 K 7.42 4.77 0.00 1.87 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 118 I 8.31 4.78 1.86 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 1.40 0.80 0.89 0.00 0.00 119 I 8.72 4.62 1.67 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.51 0.86 0.00 0.00 120 D 8.81 5.06 0.00 2.66 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 0.00 121 I 9.09 4.98 1.96 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 1.18 0.81 0.81 0.00 0.00 122 A 9.51 5.14 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 0.00 123 I 8.97 4.50 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.92 0.00 0.00 124 P 0.00 4.88 0.00 1.96 2.03 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 125 G 9.39 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 0.00 0.00 0.00 0.00 126 V 8.81 4.97 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 1.07 0.00 0.00 0.99 0.00 0.00 127 T 8.82 5.13 4.40 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 1.27 0.00 0.00 128 T 8.67 4.85 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 1.15 0.00 0.00 129 L 8.59 4.79 0.00 1.36 0.75 0.85 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.63 4.99 0.00 1.72 1.53 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.54 7.81 131 F 8.68 5.27 0.00 2.96 2.92 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 0.00 0.00 0.00 132 D 9.29 4.65 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.24 2.21 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 134 N 9.20 4.58 0.00 2.81 2.93 0.00 0.00 6.79 7.97 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 0.00 135 T 7.89 4.40 4.28 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 1.25 0.00 0.00 136 Q 8.56 3.91 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 137 R 7.80 4.70 0.00 1.92 2.11 0.00 3.19 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 138 L 8.91 4.00 0.00 1.46 1.82 -0.11 1.13 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 0.00 139 T 9.19 4.28 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 1.21 0.00 0.00 140 E 7.73 5.17 0.00 1.97 1.66 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 2.26 2.32 0.00 141 Q 9.22 4.85 0.00 1.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 1.74 2.12 0.00 142 V 8.55 4.86 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 0.84 0.00 0.00 1.00 0.00 0.00 143 D 8.98 5.34 0.00 2.61 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 0.00 144 L 8.47 4.97 0.00 1.62 1.46 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *146 D 8.56 4.56 0.00 2.61 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 0.00 147 Y 7.96 4.49 0.00 3.06 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 0.00 148 Q 8.34 4.19 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.20 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 149 T 8.10 4.17 4.47 0.00 0.00 0.00 0.00 0.00 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 *151 S 8.22 4.42 0.00 3.95 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 0.00 152 D 8.44 4.42 0.00 2.88 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 0.00 153 Q 8.49 4.16 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 154 L 7.95 3.79 0.00 1.87 1.75 1.05 0.98 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 0.00 155 Q 7.59 4.07 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.25 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 156 S 7.27 4.63 0.00 3.85 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 0.00 157 Q 8.01 4.21 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.