NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4600 8.3044 118.1962 54.8778 32.5477 174.4989 2 R 3.8967 8.4070 122.5374 55.8292 30.4663 174.6702 3 H 4.9765 9.4215 123.6098 54.6000 31.5837 173.8493 4 I 4.5072 8.2756 121.7384 60.5471 38.4680 176.4520 5 S 4.8177 8.8535 119.5987 56.2351 66.2701 173.4863 6 P 4.2438 0.0000 0.0000 66.1760 31.0224 178.7682 7 E 3.9644 8.1050 116.4921 59.6106 29.4773 179.1256 8 E 4.1147 7.9071 118.2014 59.0554 29.3418 179.3619 9 L 3.9959 8.2060 122.9400 58.9021 42.0678 179.5898 10 I 3.7256 7.9173 118.8044 65.0115 35.7268 179.3221 11 A 4.3137 8.4649 122.8957 55.2322 17.9733 179.2915 12 L 3.9037 8.1526 118.3410 58.8232 42.0607 178.9060 13 H 4.4522 8.5293 119.3941 58.5038 29.7832 177.1235 14 D 4.2527 7.9957 120.5922 57.3613 40.5339 178.5368 15 A 4.1340 7.3283 119.4715 54.8086 18.3126 178.7492 16 N 4.6592 7.5769 115.2301 55.8043 39.4139 176.8186 17 I 4.2749 7.6152 120.8278 61.6458 37.9132 178.1828 18 S 4.7114 7.7281 109.6978 59.2350 63.8719 176.9260 *26 M 4.2814 8.0048 120.2512 55.1604 32.8543 177.8214 27 S 4.6022 8.5032 117.7869 57.6822 65.9414 170.5406 28 D 4.4084 8.2186 118.3610 54.4124 41.1970 175.3634 29 P 4.5963 0.0000 0.0000 63.7061 31.7762 178.2339 30 G 3.7859 10.5652 105.6121 46.9994 0.0000 176.1429 31 R 3.7847 7.5290 120.3460 59.2164 30.0712 178.5795 32 A 3.9830 8.1324 122.1391 55.9958 18.3960 179.7337 33 E 3.9225 7.8178 114.8210 61.3292 29.7301 181.3684 34 A 4.1130 7.8470 121.3658 54.9821 18.4707 179.5142 35 I 3.4990 7.5735 118.2615 64.8238 37.2499 178.6882 36 I 3.8190 7.9463 120.3745 64.2190 36.9054 178.5846 37 G 3.6874 8.3732 106.9600 48.0671 0.0000 175.6526 38 R 3.8523 8.3314 121.2373 58.8699 30.0497 179.3686 39 V 3.3532 7.5854 117.7313 66.0678 31.4202 178.1185 40 Q 3.9638 8.0091 117.5442 58.7448 28.5071 178.6953 41 A 4.0368 8.2758 124.3005 55.8982 18.5319 180.4595 42 R 3.9239 8.0165 119.2043 61.5780 29.5693 181.0090 43 V 3.7639 8.2516 119.2729 65.6804 31.3186 177.8242 44 A 4.0475 8.0976 119.6543 55.3818 18.3463 178.4434 45 Y 4.0475 8.2211 116.8026 60.7004 39.2068 176.6233 46 E 4.4033 8.0370 118.8419 56.2427 31.2657 176.4097 *47 E 4.5861 8.2647 113.5134 55.8679 30.2499 172.4250 48 I 3.8180 7.2544 121.5091 63.0619 36.9441 176.0998 49 T 4.3643 8.3274 115.4646 61.8735 70.7694 174.7440 50 D 4.5185 7.9483 122.4312 53.5732 42.0853 176.1813 51 L 3.8559 8.6103 127.5684 58.2366 41.5904 179.5976 52 F 4.1861 7.9427 116.9205 60.2664 38.9955 177.4722 53 E 4.0162 8.6557 118.3908 59.4014 29.3269 179.5067 54 V 3.5521 7.8713 118.1153 66.2099 31.7560 177.8441 55 S 4.2610 8.4281 112.8551 61.6053 62.1207 176.0846 56 A 4.1335 8.1502 123.4130 55.2344 18.0992 179.7384 57 T 3.7993 7.9081 114.4778 66.9937 68.5126 176.3475 58 Y 4.0310 8.1015 118.6105 60.9428 37.9395 178.5826 59 L 4.0108 7.8804 120.8871 58.1254 42.2763 179.2360 60 V 3.5421 7.8591 117.9236 66.0767 31.5699 177.8788 61 A 3.9831 8.4224 120.9376 55.3577 18.1148 179.8436 62 T 3.8473 8.5812 114.4883 66.6570 68.1728 176.8528 63 A 4.0618 7.9614 122.5496 55.4721 18.2562 180.0316 64 R 3.9652 7.8678 115.1853 59.1949 30.5335 177.6355 65 G 4.0215 7.6532 103.6822 46.2267 0.0000 172.7676 66 Y 3.8547 7.8284 115.1507 57.9793 35.9979 169.0561 67 I 4.0505 7.2218 120.7776 60.3846 37.5277 175.0607 68 F 4.9750 8.3802 123.4833 55.1652 41.8157 175.9380 69 N 4.5836 8.7441 120.9836 54.0588 36.9081 174.5247 70 D 4.8982 8.1523 124.1744 51.8804 44.5721 176.3704 71 A 4.0318 8.5023 122.1154 55.7562 18.1401 179.5273 72 N 4.2834 8.2387 114.1208 56.6831 38.7619 177.4329 73 K 4.0253 8.0485 120.2240 59.4210 32.3184 178.9166 74 R 3.9621 8.2276 118.5721 59.4961 29.6793 179.0583 75 T 3.8590 8.3832 115.6888 66.5067 68.2978 176.4188 76 A 4.0039 7.9622 122.5217 55.0946 18.3787 179.0399 77 L 3.9682 7.8851 118.6243 58.8266 41.8029 179.1178 78 N 4.4039 8.4182 116.3280 56.1627 38.4203 177.5463 79 S 4.2314 8.2088 115.6791 61.4564 63.1127 176.5392 80 A 4.0094 7.6992 122.9926 54.8730 18.1490 179.6688 81 L 3.9357 7.7433 117.3169 57.5905 41.7293 179.3625 82 L 3.9272 9.0765 121.2866 58.0177 41.8090 178.7484 83 F 4.0184 7.9709 119.3598 61.2326 39.6450 176.7322 84 L 4.0369 7.9316 118.2474 57.9166 41.5209 179.8873 85 R 4.6632 7.8043 117.1455 58.7842 29.1753 178.6600 86 R 4.0763 7.8054 117.1628 57.5369 30.0142 177.3622 87 N 4.8247 7.6875 115.9903 52.5787 39.7052 175.4497 88 G 3.8264 7.7971 107.1304 45.3246 0.0000 173.8931 89 V 4.1775 7.2678 119.7053 60.8027 32.7663 175.1232 90 Q 4.4019 8.5562 126.5638 55.8062 29.2967 175.5408 91 V 3.7919 7.9513 120.9120 60.9439 34.6691 173.8172 92 F 4.9540 7.5288 117.1343 55.7121 40.6342 172.7545 93 D 4.7911 8.7398 120.6390 53.1878 42.2822 175.3096 94 S 4.8943 8.3340 119.4937 55.1899 65.3916 172.8197 95 P 4.3531 0.0000 0.0000 65.7788 30.9853 178.7569 96 E 3.9865 8.2248 117.0511 59.3659 29.3084 179.1111 97 L 4.0098 7.9159 118.3301 57.4073 41.2673 179.4492 98 A 3.9851 7.7213 120.7640 55.4176 18.3768 179.4754 99 D 4.3147 8.0203 116.9092 56.9647 40.9461 178.5401 100 L 3.9102 8.0534 121.1047 58.6035 42.1108 179.2467 101 T 3.8548 8.0788 115.6665 66.4339 68.4474 176.6777 102 V 3.6202 7.5796 120.0407 66.2144 31.5745 178.4522 103 G 3.6455 8.1321 104.9702 47.5253 0.0000 175.5084 104 A 4.1189 8.2507 122.9955 55.0803 18.2053 179.5508 105 A 4.0146 7.8338 118.5237 54.9834 18.5825 179.0843 106 T 4.2824 7.7322 105.0725 61.4460 69.5375 176.0335 107 G 3.9530 7.5431 109.1897 45.7568 0.0000 174.5682 108 E 4.0253 7.8224 119.5527 58.0945 29.6363 177.1646 109 I 4.3889 7.6405 119.7801 58.8063 39.2047 176.2437 110 S 4.3898 8.3860 120.7383 57.7099 65.1024 175.1184 111 V 3.5504 8.2494 120.9273 66.2471 31.1238 177.9267 112 S 4.0903 8.0202 114.2149 61.8557 62.7708 176.7142 113 S 4.0981 7.6502 116.2996 61.4920 62.4859 176.7006 114 V 3.5139 7.7227 120.6726 66.1067 31.1196 177.7517 115 A 3.9805 8.3637 120.5037 55.5606 18.2313 179.4096 116 D 4.2889 8.5876 117.5636 57.7178 40.7143 179.2722 117 T 3.8421 8.4385 116.8271 66.4904 68.4299 176.7730 118 L 3.8862 8.1511 121.1825 57.7125 41.4250 179.5343 119 R 3.9975 8.0371 117.9123 59.3424 30.0944 178.2427 120 R 4.0002 7.8372 117.4125 59.3340 30.1797 178.1944 121 L 3.9109 7.6775 117.5437 56.5480 41.7654 176.8498 122 Y 4.8751 7.4242 113.9674 56.5052 40.8856 176.4034 123 G 4.1236 9.1345 105.9016 46.1310 0.0000 171.5083 124 S 4.5059 7.5687 110.7343 59.2883 66.4519 174.3119 125 A 4.2009 7.9336 125.6775 52.1862 19.4765 177.4247 126 D 4.5347 8.5430 121.1220 53.4342 39.6182 175.7457 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 1 M 8.30 4.46 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 R 8.41 3.90 0.00 1.71 1.73 0.00 3.28 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 3 H 9.42 4.98 0.00 3.26 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.28 4.51 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.95 0.00 0.00 5 S 8.85 4.82 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 6 P 0.00 4.24 0.00 2.18 2.18 0.00 3.61 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 2.12 2.21 0.00 7 E 8.11 3.96 0.00 2.11 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 2.40 1.97 0.00 8 E 7.91 4.11 0.00 2.20 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 2.34 2.33 0.00 9 L 8.21 4.00 0.00 1.79 1.82 0.92 0.79 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 10 I 7.92 3.73 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 1.45 0.80 0.91 0.00 0.00 11 A 8.46 4.31 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 12 L 8.15 3.90 0.00 2.01 1.95 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.53 4.45 0.00 3.38 3.41 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.00 4.25 0.00 3.03 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 15 A 7.33 4.13 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 16 N 7.58 4.66 0.00 2.96 2.92 0.00 0.00 6.86 7.33 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 17 I 7.62 4.27 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 1.41 0.65 0.91 0.00 0.00 18 S 7.73 4.71 0.00 3.74 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 *26 M 8.00 4.28 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 27 S 8.50 4.60 0.00 3.56 3.71 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 28 D 8.22 4.41 0.00 2.78 2.77 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 0.00 0.00 0.00 29 P 0.00 4.60 0.00 2.23 2.10 0.00 3.68 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 30 G 10.57 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 31 R 7.53 3.78 0.00 1.77 1.56 0.00 3.01 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 32 A 8.13 3.98 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 33 E 7.82 3.92 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 2.25 2.22 0.00 34 A 7.85 4.11 1.32 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 35 I 7.57 3.50 1.93 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.37 0.92 0.00 0.00 36 I 7.95 3.82 1.90 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 1.69 0.98 0.97 0.00 0.00 37 G 8.37 3.69 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 0.00 0.00 0.00 38 R 8.33 3.85 0.00 1.98 1.91 0.00 3.06 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 39 V 7.59 3.35 1.71 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 0.19 0.00 0.00 0.44 0.00 0.00 40 Q 8.01 3.96 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 41 A 8.28 4.04 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 42 R 8.02 3.92 0.00 1.83 1.96 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 43 V 8.25 3.76 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 1.00 0.00 0.00 0.90 0.00 0.00 44 A 8.10 4.05 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 45 Y 8.22 4.05 0.00 3.01 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 46 E 8.04 4.40 0.00 2.06 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 0.00 2.43 2.48 0.00 *47 E 8.26 4.59 0.00 1.98 1.81 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 2.15 1.88 0.00 48 I 7.25 3.82 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 1.37 0.96 0.93 0.00 0.00 49 T 8.33 4.36 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 1.31 0.00 0.00 50 D 7.95 4.52 0.00 2.87 2.65 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 51 L 8.61 3.86 0.00 1.32 1.11 0.85 0.99 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 52 F 7.94 4.19 0.00 3.36 3.19 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 53 E 8.66 4.02 0.00 2.35 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 0.00 2.33 2.19 0.00 54 V 7.87 3.55 2.25 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 1.11 0.00 0.00 1.02 0.00 0.00 55 S 8.43 4.26 0.00 3.98 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 56 A 8.15 4.13 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 57 T 7.91 3.80 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 1.06 0.00 0.00 58 Y 8.10 4.03 0.00 3.23 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 59 L 7.88 4.01 0.00 1.83 1.87 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.86 3.54 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 0.94 0.00 0.00 0.98 0.00 0.00 61 A 8.42 3.98 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 62 T 8.58 3.85 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 1.45 0.00 0.00 63 A 7.96 4.06 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 64 R 7.87 3.97 0.00 1.77 1.96 0.00 3.12 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 65 G 7.65 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 66 Y 7.83 3.85 0.00 3.33 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 67 I 7.22 4.05 1.78 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 1.41 0.66 0.91 0.00 0.00 68 F 8.38 4.98 0.00 3.03 2.93 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 69 N 8.74 4.58 0.00 2.76 2.85 0.00 0.00 6.94 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 70 D 8.15 4.90 0.00 2.93 2.77 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 0.00 0.00 0.00 71 A 8.50 4.03 1.37 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 0.00 0.00 72 N 8.24 4.28 0.00 2.80 2.92 0.00 0.00 6.75 7.11 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 73 K 8.05 4.03 0.00 1.87 1.85 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 74 R 8.23 3.96 0.00 2.16 2.13 0.00 3.37 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 75 T 8.38 3.86 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 76 A 7.96 4.00 1.36 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 0.00 0.00 0.00 77 L 7.89 3.97 0.00 1.89 1.86 0.94 0.55 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 78 N 8.42 4.40 0.00 2.86 2.87 0.00 0.00 6.88 7.08 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 79 S 8.21 4.23 0.00 4.08 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 0.00 80 A 7.70 4.01 1.42 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 81 L 7.74 3.94 0.00 1.84 1.67 0.93 0.96 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 82 L 9.08 3.93 0.00 1.71 1.70 0.92 0.87 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 83 F 7.97 4.02 0.00 3.12 3.32 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 84 L 7.93 4.04 0.00 1.87 1.60 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.80 4.66 0.00 1.97 2.17 0.00 2.97 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.46 0.00 86 R 7.81 4.08 0.00 1.63 1.90 0.00 3.07 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 87 N 7.69 4.82 0.00 2.29 2.56 0.00 0.00 7.12 7.27 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 88 G 7.80 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.27 4.18 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 0.98 0.00 0.00 0.92 0.00 0.00 90 Q 8.56 4.40 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 91 V 7.95 3.79 1.81 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 0.64 0.00 0.00 0.01 0.00 0.00 92 F 7.53 4.95 0.00 3.18 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 93 D 8.74 4.79 0.00 2.74 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 94 S 8.33 4.89 0.00 3.87 3.63 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 95 P 0.00 4.35 0.00 2.22 2.12 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 96 E 8.22 3.99 0.00 1.99 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 2.39 2.41 0.00 97 L 7.92 4.01 0.00 1.81 1.74 1.05 0.64 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 98 A 7.72 3.99 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 99 D 8.02 4.31 0.00 2.69 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 0.00 100 L 8.05 3.91 0.00 1.90 1.85 0.90 0.68 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 0.00 101 T 8.08 3.85 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 1.27 0.00 0.00 102 V 7.58 3.62 2.20 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 0.98 0.00 0.00 0.98 0.00 0.00 103 G 8.13 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 0.00 0.00 0.00 104 A 8.25 4.12 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 A 7.83 4.01 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 0.00 106 T 7.73 4.28 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 1.22 0.00 0.00 107 G 7.54 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 0.00 0.00 0.00 108 E 7.82 4.03 0.00 1.93 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 2.31 2.30 0.00 109 I 7.64 4.39 1.86 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 1.33 0.87 0.89 0.00 0.00 110 S 8.39 4.39 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.25 3.55 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 1.00 0.00 0.00 0.91 0.00 0.00 112 S 8.02 4.09 0.00 3.89 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 0.00 113 S 7.65 4.10 0.00 3.89 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 0.00 114 V 7.72 3.51 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 1.08 0.00 0.00 0.94 0.00 0.00 115 A 8.36 3.98 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 0.00 116 D 8.59 4.29 0.00 2.67 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 0.00 117 T 8.44 3.84 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 1.15 0.00 0.00 118 L 8.15 3.89 0.00 1.85 1.85 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.04 4.00 0.00 1.99 2.08 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 120 R 7.84 4.00 0.00 1.81 2.09 0.00 3.30 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 121 L 7.68 3.91 0.00 0.73 0.17 0.63 1.06 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 0.00 122 Y 7.42 4.88 0.00 2.88 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 0.00 123 G 9.13 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.57 4.51 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 0.00 125 A 7.93 4.20 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 0.00 126 D 8.54 4.53 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.