NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3204 8.1227 123.5839 51.5503 20.2405 177.2872 3 L 3.7742 8.5477 121.7867 57.5996 41.9609 177.7448 4 L 4.1071 8.6394 122.4171 57.5111 42.4170 178.4236 5 Q 3.9966 8.0123 117.5981 58.9131 28.7549 178.6445 6 K 3.9997 7.8510 119.5709 59.6873 31.9459 179.5211 7 T 4.0190 8.3477 110.4509 64.9742 68.5820 176.5162 8 R 3.9568 8.1684 120.9435 59.1222 29.8436 178.9932 9 I 3.7153 7.4410 118.4060 64.5290 37.2127 178.2434 10 I 3.8425 7.4124 118.8518 64.3348 37.1895 177.9532 11 N 4.6494 8.5749 117.6008 56.4105 38.3797 178.5085 12 S 4.2311 8.2290 113.8693 59.3088 62.7895 176.2612 *14 L 4.2442 7.8768 123.7971 55.0352 43.4006 179.3624 15 Q 3.9640 8.5284 116.5639 58.8629 28.7939 177.8038 16 A 4.0911 7.9507 119.7812 54.7525 18.8478 178.5721 17 A 3.9438 7.9944 118.0178 53.9397 18.8911 176.5005 18 A 4.7049 7.6919 119.1355 50.8004 18.9245 176.6506 19 G 4.1078 8.5304 111.6145 44.2393 0.0000 171.8887 20 K 4.5523 8.7927 123.7837 53.2836 35.9814 173.8096 21 P 4.0374 0.0000 0.0000 63.5663 31.0408 176.0106 22 V 3.0436 7.3735 121.7124 61.2616 32.5923 175.3310 23 N 4.6465 7.8812 124.5484 51.5138 39.3519 173.5560 24 F 4.5139 8.0957 123.6384 59.6633 39.9704 177.3581 25 K 3.9766 8.3281 121.8550 59.5237 32.2332 179.2472 26 E 3.7153 8.3734 116.4207 56.8256 29.1335 178.0379 *28 A 4.2258 8.0850 122.1437 51.7734 20.7006 179.8157 29 E 4.0457 8.1289 116.6843 59.1258 29.4794 179.4329 30 T 3.8264 7.9757 115.8389 66.8480 68.5615 176.4899 31 L 3.9873 7.8500 120.0968 57.7618 41.6337 179.4067 32 R 3.9951 8.1939 118.7466 59.6186 29.7938 178.1979 33 D 4.3516 8.1887 117.6979 57.4341 40.9409 178.7526 34 V 3.9924 7.7850 110.7147 62.7318 32.0146 177.6333 35 I 4.1734 8.1126 118.2183 59.9108 39.0567 174.6956 36 D 4.4276 8.2369 118.4320 54.1808 39.3212 171.8532 37 S 4.7587 7.2695 112.2274 57.1636 66.7111 175.7453 38 N 4.6034 9.1545 118.7718 53.6361 39.7375 174.4009 39 I 4.8932 8.0875 122.0083 59.5685 41.4290 174.4172 40 F 5.0723 8.9304 124.7334 55.6939 43.0424 173.8788 41 V 4.4391 9.1547 124.6634 61.3562 33.1159 174.3523 42 V 4.7446 8.3799 129.2227 60.8398 34.1171 175.9129 43 S 4.5723 8.8599 123.1140 57.2677 64.2599 175.1758 44 R 3.8209 8.6379 119.0323 59.4269 29.6623 178.2194 45 R 4.4262 7.9936 112.9862 56.0615 30.3629 177.0132 46 G 4.0176 8.0659 107.1063 44.8260 0.0000 173.7546 47 K 4.4553 8.0244 122.2735 56.0156 32.6484 175.8304 48 L 4.5882 8.5521 127.2896 54.4997 40.9327 176.8137 49 L 4.2087 9.0495 126.4497 57.4714 42.3792 177.9212 50 G 4.4300 7.8634 103.2166 45.7558 0.0000 171.8250 51 Y 5.2835 8.0422 118.0531 56.0888 41.2862 174.0824 52 S 4.3529 8.8564 114.7601 57.3466 66.2611 172.6271 53 I 4.3300 8.4419 128.1692 60.0001 37.8909 175.0375 54 N 4.6052 9.8003 125.8575 53.7583 39.9023 174.7288 55 Q 4.6260 8.0737 115.9127 53.5182 30.4171 175.0599 56 Q 4.1339 8.8799 122.1264 55.9344 29.1369 175.5568 57 I 4.7084 8.2026 115.4984 59.1560 40.4527 175.9298 58 E 4.4082 8.5670 123.0388 54.8975 27.8929 174.1048 59 N 4.9832 7.7330 116.6692 51.4898 42.3516 173.7889 60 D 4.4599 8.8601 125.7795 57.5902 41.1717 179.1390 61 R 4.0959 7.3457 114.1295 57.0521 29.6638 177.1151 *63 K 4.3720 8.1196 117.8551 56.0690 33.9557 179.0248 64 K 4.2357 7.9893 116.8889 56.6261 30.9580 178.9443 *66 L 3.8583 8.0803 120.8689 54.9089 43.5657 179.2844 67 E 4.0438 8.3149 116.8980 59.6430 29.4414 178.4393 68 D 4.4047 8.7573 118.0584 55.4223 41.2736 176.6061 69 R 3.8876 7.7287 116.7093 56.5666 27.9357 175.9133 70 Q 4.9546 7.8759 117.6531 55.0901 31.8692 174.3125 71 F 4.6079 9.3619 126.2025 56.1420 40.4250 173.9532 72 P 4.3566 0.0000 0.0000 62.9881 32.1669 177.4563 73 E 3.9230 9.0179 122.6628 59.5067 29.6951 178.7317 74 E 3.9224 8.1463 118.7014 59.4883 29.6252 177.6167 75 Y 4.1012 8.1010 117.5824 61.3337 38.9252 177.9956 76 T 3.9906 8.2751 116.2707 66.4860 68.5381 176.7518 77 K 4.1664 8.4003 120.6330 59.7501 32.2201 179.1037 78 N 4.5808 8.4377 116.0654 55.5563 38.4707 177.2460 79 L 3.8988 7.5343 120.9540 57.3286 41.3522 179.1288 80 F 4.3242 7.7942 117.0239 60.0394 38.8723 176.5708 81 N 4.8553 8.0499 114.5601 53.5118 38.6862 175.1208 82 V 4.0027 7.1033 120.6633 60.3534 31.0593 173.4127 83 P 4.4602 0.0000 0.0000 64.4406 31.8655 176.3011 84 E 4.7033 7.5407 116.3047 54.0683 33.5081 174.7433 85 T 4.0618 8.3920 116.2673 64.6685 69.2219 173.4392 86 S 4.6191 9.1305 120.1600 56.6561 65.4983 172.9586 87 S 4.8475 8.7115 120.9433 56.1325 66.0910 172.7387 88 N 4.4460 8.3444 114.0356 54.1614 36.6815 174.9228 89 L 4.2183 8.2672 118.6795 54.5401 42.4027 177.6200 90 D 5.1797 8.5373 123.4540 52.0908 41.0932 176.7296 91 I 3.7780 8.2837 118.2938 63.9069 37.8622 176.0199 92 N 4.7103 8.2542 115.3979 53.1587 39.0239 175.1374 93 S 4.3817 8.1128 115.2675 57.4094 63.0787 174.8389 94 E 3.9510 8.5310 124.7510 59.2281 29.2627 177.2417 95 Y 4.5498 7.3778 115.2420 58.1405 38.3097 175.6264 96 T 4.0277 7.7517 115.2783 62.7596 67.7545 173.3704 97 A 4.2787 8.7720 129.6232 52.0174 19.3464 177.1824 98 F 4.4342 7.5171 115.3149 55.4167 40.6683 174.1771 99 P 4.3780 0.0000 0.0000 62.2962 31.8681 178.4069 100 V 3.7783 8.3545 115.9074 64.1209 31.7456 178.1605 101 E 4.0868 8.2059 116.4732 58.2221 29.8266 176.9878 102 N 4.9604 8.1009 117.7728 52.8694 39.2261 177.0764 103 R 4.0134 7.6616 120.5242 59.5729 30.4797 178.4340 104 D 4.4196 8.0454 116.6677 57.2488 41.1036 177.4313 105 L 3.8383 7.7230 119.2544 57.2909 42.5698 177.4681 106 F 4.9836 7.6401 118.0557 56.7554 39.1283 177.8103 107 Q 3.9814 8.0873 119.7621 58.8566 29.0043 176.7179 108 A 4.4747 7.8717 118.6533 51.5048 20.2276 176.8665 109 G 3.2476 7.7113 105.5987 46.4326 0.0000 173.6732 110 L 5.3761 9.5556 125.7250 53.3479 44.9654 175.7018 111 T 5.3876 9.2840 119.1126 62.1595 72.4978 172.9469 112 T 4.8564 8.9615 122.1140 61.7274 71.7300 172.9257 113 I 4.4966 8.6474 127.5234 59.4966 39.7276 174.8184 114 V 4.4238 8.5892 127.3174 60.0768 33.8714 172.8563 115 P 4.3827 0.0000 0.0000 63.2539 31.9932 175.9753 116 I 4.3056 8.5630 125.9191 60.1874 38.5398 174.9356 117 I 5.0378 8.1649 127.2782 59.6687 40.8377 176.0591 118 G 3.7599 9.4508 113.7706 46.7624 0.0000 173.2450 119 G 3.6363 8.7549 116.8635 46.2557 0.0000 173.5793 120 G 3.9728 8.4255 104.0851 45.6299 0.0000 173.6546 121 E 4.5218 7.4192 119.8113 53.6342 31.6897 175.2766 122 R 4.3399 8.7126 124.0506 56.9258 29.7857 175.8876 123 L 4.3706 9.1751 126.3597 54.2655 42.5016 177.3167 124 G 3.8573 6.7107 105.4255 45.8270 0.0000 170.6086 125 T 4.8674 8.1517 115.0380 61.6876 73.0847 173.0819 126 L 4.8989 9.2185 128.3242 53.6123 44.1041 174.9093 127 I 4.9965 8.7667 127.4280 59.5162 40.2044 174.5900 128 L 5.7898 9.1290 126.1034 52.1229 45.0213 175.7338 129 S 5.5809 8.4988 116.3087 57.3357 67.0035 172.7577 130 R 4.9570 9.1740 117.0082 56.0752 33.1695 172.8722 131 L 4.6964 8.6218 119.2942 54.9231 42.4276 176.3861 132 Q 4.0329 9.2754 130.0200 56.6705 29.3649 173.4785 133 D 4.5146 7.6828 117.8147 53.1589 40.8637 176.3020 134 Q 4.0711 8.4951 123.9111 55.8554 29.3238 176.8842 135 F 4.5170 8.7318 121.2018 57.5086 39.8301 174.1371 136 N 5.2298 9.1341 121.1397 50.4359 40.4739 174.7034 137 D 4.4104 8.8608 116.7260 57.9519 40.6485 178.7677 138 D 4.3922 8.2019 118.5058 57.6205 40.9188 178.4238 139 D 4.4769 8.6543 119.2713 57.4621 40.8727 178.9779 140 L 3.9960 8.0661 119.3659 57.7423 41.5672 179.3922 141 I 3.6953 8.2178 120.1383 64.5577 37.0679 178.4668 142 L 4.0854 8.1617 119.2540 57.7265 41.4191 179.2263 143 A 3.9891 8.4761 121.0698 55.5819 18.2893 179.6729 144 E 3.9312 8.8239 117.1676 59.2953 29.4864 178.9223 145 Y 4.4067 8.4016 120.1103 60.8209 38.8660 178.4573 146 G 3.4426 8.3013 106.4277 47.7424 0.0000 175.4492 147 A 4.0200 8.2523 123.5216 55.0444 18.1157 179.9517 148 T 3.8321 7.9039 113.4501 67.0449 68.6864 177.1900 149 V 3.8078 7.6465 112.9178 64.1147 31.8126 178.5613 150 V 4.0272 8.3152 118.8351 65.8191 31.1153 178.6086 151 G 3.6795 7.9332 101.4115 45.9736 0.0000 173.9528 *153 E 4.3620 8.0715 119.3604 55.7359 31.3043 176.8900 154 I 4.2198 8.0287 118.6568 62.4998 37.6370 175.9977 155 L 4.3548 7.8072 124.8621 54.7291 41.8489 176.0765 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 2 A 8.12 4.32 1.29 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 0.00 0.00 0.00 3 L 8.55 3.77 0.00 1.86 1.70 0.95 0.24 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 4 L 8.64 4.11 0.00 1.79 1.65 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.01 4.00 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 6 K 7.85 4.00 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 7 T 8.35 4.02 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 1.27 0.00 0.00 8 R 8.17 3.96 0.00 2.14 2.05 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 9 I 7.44 3.72 2.06 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 1.53 0.66 0.91 0.00 0.00 10 I 7.41 3.84 2.12 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 1.48 0.65 0.53 0.00 0.00 11 N 8.57 4.65 0.00 2.98 2.93 0.00 0.00 7.04 8.26 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 12 S 8.23 4.23 0.00 3.84 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 *14 L 7.88 4.24 0.00 1.90 1.75 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.53 3.96 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 16 A 7.95 4.09 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 17 A 7.99 3.94 1.26 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 0.00 0.00 18 A 7.69 4.70 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 19 G 8.53 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 20 K 8.79 4.55 0.00 1.59 1.63 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.47 7.81 21 P 0.00 4.04 0.00 1.97 2.02 0.00 3.67 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 2.00 2.08 0.00 22 V 7.37 3.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.85 0.00 0.00 23 N 7.88 4.65 0.00 2.54 2.67 0.00 0.00 7.12 7.02 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 24 F 8.10 4.51 0.00 3.24 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 25 K 8.33 3.98 0.00 1.77 1.95 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.58 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.39 7.81 26 E 8.37 3.72 0.00 2.10 2.00 0.00 0.00 0.00 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 2.22 0.00 *28 A 8.08 4.23 1.31 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 0.00 0.00 0.00 29 E 8.13 4.05 0.00 2.12 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 2.25 2.17 0.00 30 T 7.98 3.83 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 1.18 0.00 0.00 31 L 7.85 3.99 0.00 1.78 1.70 0.88 0.76 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 32 R 8.19 4.00 0.00 1.83 2.10 0.00 3.08 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 33 D 8.19 4.35 0.00 2.82 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 34 V 7.79 3.99 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 0.80 0.00 0.00 0.96 0.00 0.00 35 I 8.11 4.17 2.04 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 1.48 0.64 1.12 0.00 0.00 36 D 8.24 4.43 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 37 S 7.27 4.76 0.00 4.27 3.92 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 38 N 9.15 4.60 0.00 2.68 2.47 0.00 0.00 7.13 7.34 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 39 I 8.09 4.89 1.70 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 1.22 0.83 0.00 0.00 40 F 8.93 5.07 0.00 2.80 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 41 V 9.15 4.44 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 0.57 0.00 0.00 0.86 0.00 0.00 42 V 8.38 4.74 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 0.73 0.00 0.00 0.32 0.00 0.00 43 S 8.86 4.57 0.00 3.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.64 3.82 0.00 1.93 2.39 0.00 3.28 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 45 R 7.99 4.43 0.00 1.83 1.98 0.00 3.20 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 46 G 8.07 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 0.00 0.00 0.00 47 K 8.02 4.46 0.00 1.83 1.67 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 48 L 8.55 4.59 0.00 1.67 1.76 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.05 4.21 0.00 1.03 1.27 0.52 0.77 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 50 G 7.86 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 0.00 0.00 0.00 51 Y 8.04 5.28 0.00 2.88 2.95 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 52 S 8.86 4.35 0.00 3.73 3.67 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 0.00 0.00 0.00 0.00 53 I 8.44 4.33 1.97 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 1.59 1.16 0.97 0.00 0.00 54 N 9.80 4.61 0.00 2.67 2.95 0.00 0.00 7.04 6.94 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 55 Q 8.07 4.63 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 56 Q 8.88 4.13 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 57 I 8.20 4.71 2.18 0.00 0.00 0.78 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 0.81 0.92 0.00 0.00 58 E 8.57 4.41 0.00 2.03 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 2.33 2.26 0.00 59 N 7.73 4.98 0.00 2.86 2.70 0.00 0.00 7.33 8.47 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 60 D 8.86 4.46 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 61 R 7.35 4.10 0.00 1.85 2.04 0.00 3.21 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 *63 K 8.12 4.37 0.00 2.14 1.87 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.55 7.81 64 K 7.99 4.24 0.00 1.94 1.78 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.39 7.81 *66 L 8.08 3.86 0.00 1.74 1.34 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.31 4.04 0.00 2.13 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 0.00 2.39 2.45 0.00 68 D 8.76 4.40 0.00 2.68 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 69 R 7.73 3.89 0.00 2.08 2.08 0.00 3.44 0.00 0.00 3.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 70 Q 7.88 4.95 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 71 F 9.36 4.61 0.00 2.90 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 72 P 0.00 4.36 0.00 2.10 1.94 0.00 3.35 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 73 E 9.02 3.92 0.00 2.07 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 2.42 2.40 0.00 74 E 8.15 3.92 0.00 2.15 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 2.40 2.60 0.00 75 Y 8.10 4.10 0.00 2.95 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 76 T 8.28 3.99 4.51 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 1.20 0.00 0.00 77 K 8.40 4.17 0.00 2.10 1.95 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.58 1.58 7.81 78 N 8.44 4.58 0.00 2.83 2.92 0.00 0.00 7.11 7.51 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 79 L 7.53 3.90 0.00 1.39 1.39 0.74 0.65 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 80 F 7.79 4.32 0.00 3.19 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 81 N 8.05 4.86 0.00 3.03 2.97 0.00 0.00 6.80 7.83 0.00 0.00 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 V 7.10 4.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.01 0.00 0.00 83 P 0.00 4.46 0.00 2.21 2.16 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 1.96 1.97 0.00 84 E 7.54 4.70 0.00 1.88 1.79 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 2.18 2.28 0.00 85 T 8.39 4.06 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 86 S 9.13 4.62 0.00 3.73 3.52 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 87 S 8.71 4.85 0.00 3.86 3.75 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 88 N 8.34 4.45 0.00 2.96 3.04 0.00 0.00 7.02 7.53 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 89 L 8.27 4.22 0.00 1.93 1.75 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.54 5.18 0.00 2.94 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 91 I 8.28 3.78 1.97 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 1.64 0.74 0.92 0.00 0.00 92 N 8.25 4.71 0.00 2.91 2.85 0.00 0.00 6.96 6.99 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 93 S 8.11 4.38 0.00 3.97 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 94 E 8.53 3.95 0.00 1.85 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 1.59 1.47 0.00 95 Y 7.38 4.55 0.00 3.09 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 96 T 7.75 4.03 4.61 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 1.41 0.00 0.00 97 A 8.77 4.28 1.13 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 98 F 7.52 4.43 0.00 3.01 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 99 P 0.00 4.38 0.00 2.21 1.89 0.00 3.82 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 2.20 2.02 0.00 100 V 8.35 3.78 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 0.80 0.00 0.00 0.90 0.00 0.00 101 E 8.21 4.09 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 2.29 2.27 0.00 102 N 8.10 4.96 0.00 3.21 2.69 0.00 0.00 6.82 7.60 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 0.00 103 R 7.66 4.01 0.00 1.78 2.01 0.00 3.18 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 104 D 8.05 4.42 0.00 2.58 2.66 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 0.00 105 L 7.72 3.84 0.00 1.22 1.05 0.70 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 106 F 7.64 4.98 0.00 2.96 2.30 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 0.00 107 Q 8.09 3.98 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 108 A 7.87 4.47 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 0.00 109 G 7.71 3.25 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 0.00 110 L 9.56 5.38 0.00 1.74 1.85 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.28 5.39 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 1.42 0.00 0.00 112 T 8.96 4.86 3.48 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 0.97 0.00 0.00 113 I 8.65 4.50 1.68 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 1.06 0.75 0.71 0.00 0.00 114 V 8.59 4.42 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 0.93 0.00 0.00 0.84 0.00 0.00 115 P 0.00 4.38 0.00 1.93 1.95 0.00 3.65 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 2.08 2.15 0.00 116 I 8.56 4.31 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.88 0.00 0.00 117 I 8.16 5.04 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 1.28 0.60 0.95 0.00 0.00 118 G 9.45 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 0.00 119 G 8.75 3.64 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 0.00 0.00 0.00 120 G 8.43 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 0.00 121 E 7.42 4.52 0.00 2.40 1.85 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 2.21 2.20 0.00 122 R 8.71 4.34 0.00 1.86 2.11 0.00 3.42 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 123 L 9.18 4.37 0.00 1.62 1.68 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.71 3.86 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 0.00 0.00 0.00 125 T 8.15 4.87 4.07 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 1.10 0.00 0.00 126 L 9.22 4.90 0.00 1.65 1.57 0.87 1.07 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 0.00 127 I 8.77 5.00 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 1.07 0.00 0.00 128 L 9.13 5.79 0.00 1.26 1.57 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.50 5.58 0.00 3.62 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 0.00 130 R 9.17 4.96 0.00 1.90 2.11 0.00 2.66 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 131 L 8.62 4.70 0.00 1.59 1.65 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 9.28 4.03 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 133 D 7.68 4.51 0.00 2.55 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 0.00 134 Q 8.50 4.07 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 135 F 8.73 4.52 0.00 3.07 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 0.00 136 N 9.13 5.23 0.00 2.93 2.96 0.00 0.00 6.89 7.73 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 0.00 137 D 8.86 4.41 0.00 2.76 2.80 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 0.00 138 D 8.20 4.39 0.00 2.98 2.76 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 0.00 139 D 8.65 4.48 0.00 3.05 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 0.00 140 L 8.07 4.00 0.00 1.91 1.72 0.94 1.01 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 0.00 141 I 8.22 3.70 2.07 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 1.53 0.76 0.92 0.00 0.00 142 L 8.16 4.09 0.00 1.88 1.78 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.48 3.99 1.34 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 0.00 0.00 0.00 144 E 8.82 3.93 0.00 2.08 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 0.00 2.32 2.45 0.00 145 Y 8.40 4.41 0.00 3.04 3.15 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 0.00 146 G 8.30 3.44 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 0.00 147 A 8.25 4.02 1.29 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 0.00 0.00 0.00 148 T 7.90 3.83 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 149 V 7.65 3.81 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 0.74 0.00 0.00 0.80 0.00 0.00 150 V 8.32 4.03 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 0.88 0.00 0.00 1.04 0.00 0.00 151 G 7.93 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 0.00 0.00 0.00 *153 E 8.07 4.36 0.00 2.13 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 2.31 2.28 0.00 154 I 8.03 4.22 2.11 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.94 0.00 0.00 155 L 7.81 4.35 0.00 1.61 1.56 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.