NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9014 8.2085 109.7406 45.5989 0.0000 176.0572 -1 A 3.7477 8.4922 125.1270 52.3175 18.3172 178.3238 -1 G 3.3877 8.5822 110.1270 44.9175 0.0000 175.4238 2 Q 4.1067 9.0063 122.8615 59.2109 29.9135 176.8049 3 T 3.9595 7.8664 116.4958 66.7926 68.5452 176.6085 4 T 3.9335 7.9415 117.3542 66.4561 68.2892 176.2793 5 F 4.2524 8.1638 121.0698 61.6671 39.6313 176.7468 6 T 3.7717 7.9347 114.0580 66.4760 68.4628 175.6763 7 E 4.3366 8.5350 122.8276 58.4965 29.4993 179.7832 8 L 4.0728 7.5969 117.2210 55.7166 41.9757 178.4411 *10 Q 4.2661 8.0253 117.5624 55.6452 30.8726 177.5587 11 Q 4.0274 8.2350 117.0026 58.8061 28.6762 178.8263 12 L 3.6319 7.8384 121.3152 58.1115 42.2299 178.8213 13 F 4.0074 7.4456 117.0755 60.5892 38.8415 177.1774 14 L 3.9463 7.7644 117.9904 57.9708 41.2693 179.3375 15 K 3.8611 8.1207 118.7430 59.6567 32.2001 178.1143 16 L 4.1660 8.3698 116.8766 54.3428 43.0232 176.8816 17 G 4.0187 8.1922 108.0507 45.7750 0.0000 173.3863 18 L 4.5640 8.0301 117.6222 52.9859 45.8056 174.6219 19 N 4.2151 9.0660 124.4141 54.7493 39.0178 173.0927 20 H 4.9106 8.5494 120.7686 53.8178 31.1948 173.6459 21 Q 4.6190 8.1234 118.0652 53.9559 31.6067 174.7575 22 V 4.5491 7.9465 122.8832 59.8191 33.7348 175.5957 23 N 4.6902 8.3349 122.8940 51.4792 39.3489 175.3795 24 E 3.9987 8.5567 116.4171 59.1591 29.5383 177.6131 25 N 4.5948 8.3470 114.4611 52.7257 38.8173 174.7045 26 D 4.4659 7.8988 117.1214 55.2280 38.7754 173.7388 27 V 4.3177 7.8980 119.4505 62.5855 32.9478 174.0862 28 Y 5.0229 9.8079 126.3559 57.1796 39.6672 174.8613 29 T 5.3845 8.5493 119.4309 62.0841 72.7518 173.0101 30 F 5.0821 8.8742 117.9149 56.1032 41.5339 173.0747 31 E 5.0368 9.0810 121.7137 55.4381 31.0465 175.8401 32 V 4.4590 8.8531 122.6516 60.4279 33.8699 175.2563 33 D 4.2826 9.8929 123.4036 53.7959 38.2602 174.4798 34 G 4.3972 8.5611 103.9358 47.1548 0.0000 174.5808 35 H 4.8680 7.9199 112.5405 54.2080 30.6699 173.0610 36 I 4.2942 7.3734 121.9870 59.4105 39.1790 174.3397 37 Q 4.7957 8.5673 127.8223 54.2043 31.4440 174.2568 38 V 4.5643 8.0819 126.7617 61.0940 34.1161 174.1764 39 L 5.4289 8.9561 127.0739 53.1463 44.8855 175.4674 40 I 5.3115 9.3281 122.7716 59.7543 41.1409 174.4178 41 A 5.1745 9.3063 127.0207 50.5478 23.3160 173.8636 42 C 4.9802 7.9690 118.3711 57.6806 34.2267 172.5099 43 Y 4.3952 9.0465 122.9999 57.0181 40.4174 175.7802 44 H 4.0862 9.4347 119.0124 56.7615 26.4512 174.7106 45 Q 3.6689 8.4530 114.2062 56.9816 26.1807 174.3624 46 Q 4.4453 8.4365 115.9311 55.1522 33.1267 174.8736 47 W 5.2533 8.1082 118.5240 54.7673 33.1304 174.3950 48 V 4.6740 9.2531 125.9733 61.9555 32.9263 174.3027 49 Q 5.2619 9.3754 129.0332 54.5219 31.6620 174.1658 50 L 5.0800 8.9549 126.8076 53.7411 44.2575 175.4102 51 F 5.3508 8.8808 122.5686 57.4042 43.4323 173.0104 52 S 4.8044 8.5560 119.0414 56.7304 66.1485 172.9626 53 E 4.2242 8.6531 126.2519 56.6155 29.4206 176.7568 54 L 4.1524 8.7859 123.3831 54.7618 42.7473 178.0678 55 G 3.8601 10.0665 105.8401 45.0011 0.0000 172.0624 56 A 4.4351 7.2740 121.0563 51.0606 22.1474 175.2623 57 D 4.7459 8.2882 119.3368 53.0960 39.9148 175.9433 58 L 4.3590 8.5906 127.1781 52.3424 42.7708 175.4271 59 P 4.2228 0.0000 0.0000 63.2673 31.2413 176.3988 60 T 3.8093 8.4891 118.9893 64.2378 68.9173 172.6805 61 N 4.8736 8.2963 123.0981 51.9423 40.6007 174.7942 62 D 4.3539 8.5559 122.9367 55.1842 41.6914 175.8433 63 N 4.0192 8.3301 116.5646 54.0998 36.3093 173.4285 64 L 4.4004 7.3302 116.5697 53.4034 43.8799 176.6952 65 F 4.4651 7.6632 115.8362 55.5437 39.7048 175.5619 66 G 3.7846 7.9962 108.2652 45.3132 0.0000 174.4186 67 E 4.0025 7.4842 119.0977 58.0409 29.8104 175.8517 68 H 4.8295 7.3496 113.4620 53.4730 32.6587 172.2866 69 W 4.9060 8.5451 121.0708 54.1149 30.7483 173.9992 70 P 4.5883 0.0000 0.0000 61.7445 31.6932 176.0018 71 A 4.1762 8.1491 120.9333 52.1439 18.8211 176.3609 72 H 5.1692 8.4574 116.7905 54.1148 30.8162 174.2037 73 V 4.0471 8.4593 123.7209 60.8567 33.7522 174.1052 74 Q 4.6755 9.1678 130.0359 54.9207 29.7779 175.1494 75 G 4.3193 8.8037 114.4272 44.9203 0.0000 171.2789 76 R 5.2547 8.4807 119.8002 54.2594 32.5572 174.8201 77 L 4.5859 8.8273 127.9034 54.4269 44.8177 175.7087 78 D 4.5723 9.5226 127.0292 55.7267 37.8442 174.7488 79 G 3.9467 8.4865 103.8790 45.8900 0.0000 173.4793 80 K 4.7122 7.7521 117.9049 54.3099 36.1564 175.2552 81 S 5.2342 8.7740 116.8898 57.9813 64.6280 173.6958 82 I 4.8890 8.5972 115.3992 59.1275 41.4975 173.5349 83 L 5.3129 8.6171 125.3112 53.2246 44.8566 175.1036 84 W 6.0383 8.9116 121.3628 55.8745 32.3422 173.2847 85 S 5.3619 8.8801 113.5247 57.6586 65.6411 173.2367 86 Q 5.8203 9.0922 123.0301 55.3356 32.0877 173.5724 87 Q 4.8586 9.2438 116.1788 55.1599 32.2107 174.0196 88 S 3.9987 8.5205 116.6242 58.5668 63.7320 174.7992 89 L 4.0171 8.4761 126.5061 57.7649 42.1106 177.3247 90 V 3.5806 7.4175 118.5084 64.5776 31.3788 175.7000 91 G 3.7993 8.9598 115.3082 45.2656 0.0000 172.0549 92 L 4.2721 7.5863 122.1257 53.6203 42.2361 175.5976 93 D 4.9341 8.2274 125.3178 50.9809 42.1101 175.9107 94 I 3.7724 8.3642 118.6525 64.3901 38.2445 176.6212 95 D 4.4906 8.2122 119.5861 57.5276 40.9166 179.1436 96 E 4.1651 7.9502 116.3878 56.6592 29.2185 178.1827 *98 Q 4.1328 8.3107 119.3445 55.5531 30.9112 176.8896 99 A 4.1011 8.2165 119.5257 54.8454 18.2359 179.3690 100 W 4.3721 8.5764 126.9304 60.7415 30.7848 177.7571 101 L 3.8249 8.1259 119.7423 58.3366 41.3647 178.6773 102 E 4.0315 8.3995 118.2869 59.4851 29.4374 179.4374 103 R 4.0385 8.4624 118.4058 59.3694 30.1477 178.9305 104 F 4.0444 8.6518 120.5807 61.3524 39.3290 177.2434 105 I 3.5953 8.1718 119.6795 64.4552 36.9347 178.1384 106 D 4.5118 8.4078 119.9804 57.4060 40.6092 178.4231 107 D 4.5141 8.0490 119.8651 56.7566 41.2574 178.1947 108 I 3.4457 7.5500 120.4172 64.3142 37.1137 177.9204 109 E 3.8934 8.1365 119.2734 59.7828 29.4845 179.4667 110 Q 3.9833 7.8991 117.5047 59.3073 28.5942 179.4625 111 R 4.0668 7.8927 117.6528 58.8559 30.1789 178.9105 112 K 4.2213 8.3791 117.8250 57.9998 33.2505 178.3333 113 E 4.2459 7.6450 122.4891 55.0085 27.1364 175.4292 *114 P 4.2220 0.0000 0.0000 62.0346 31.6176 177.1002 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 G 8.21 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 -1 A 8.49 3.75 1.35 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 0.00 0.00 0.00 -1 G 8.58 3.39 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 0.00 2 Q 9.01 4.11 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 3 T 7.87 3.96 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 1.24 0.00 0.00 4 T 7.94 3.93 4.44 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 1.23 0.00 0.00 5 F 8.16 4.25 0.00 2.96 3.33 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 6 T 7.93 3.77 4.44 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 1.27 0.00 0.00 7 E 8.54 4.34 0.00 2.04 2.16 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 2.27 2.17 0.00 8 L 7.60 4.07 0.00 1.88 1.61 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *10 Q 8.03 4.27 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 11 Q 8.24 4.03 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 12 L 7.84 3.63 0.00 1.51 0.95 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.45 4.01 0.00 3.10 3.23 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 14 L 7.76 3.95 0.00 1.97 1.70 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.12 3.86 0.00 1.67 1.95 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.39 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.44 7.81 16 L 8.37 4.17 0.00 1.66 1.58 0.25 0.85 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 17 G 8.19 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 18 L 8.03 4.56 0.00 1.70 1.58 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.07 4.22 0.00 2.75 2.79 0.00 0.00 7.02 7.89 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 20 H 8.55 4.91 0.00 1.92 1.45 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.12 4.62 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 22 V 7.95 4.55 0.99 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 0.52 0.00 0.00 0.49 0.00 0.00 23 N 8.33 4.69 0.00 2.92 2.95 0.00 0.00 6.62 7.79 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 24 E 8.56 4.00 0.00 1.92 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 2.28 2.35 0.00 25 N 8.35 4.59 0.00 2.75 2.76 0.00 0.00 7.07 7.81 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 26 D 7.90 4.47 0.00 2.93 3.05 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 0.00 0.00 0.00 0.00 27 V 7.90 4.32 2.16 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 0.99 0.00 0.00 0.87 0.00 0.00 28 Y 9.81 5.02 0.00 3.34 3.12 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 29 T 8.55 5.38 4.41 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 1.22 0.00 0.00 30 F 8.87 5.08 0.00 3.30 3.39 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 31 E 9.08 5.04 0.00 1.95 1.96 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 2.27 2.33 0.00 32 V 8.85 4.46 2.27 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 0.91 0.00 0.00 1.00 0.00 0.00 33 D 9.89 4.28 0.00 3.03 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 34 G 8.56 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 0.00 0.00 0.00 0.00 35 H 7.92 4.87 0.00 3.04 3.33 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.37 4.29 1.86 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 0.88 0.08 0.78 0.00 0.00 37 Q 8.57 4.80 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 38 V 8.08 4.56 0.98 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 1.14 0.00 0.00 0.83 0.00 0.00 39 L 8.96 5.43 0.00 1.87 1.59 1.04 0.42 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 40 I 9.33 5.31 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 1.13 0.00 0.00 41 A 9.31 5.17 1.12 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 42 C 7.97 4.98 0.00 1.23 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 0.00 0.00 0.00 43 Y 9.05 4.40 0.00 2.95 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 44 H 9.43 4.09 0.00 3.57 3.49 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.45 3.67 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.89 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 46 Q 8.44 4.45 0.00 1.98 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.51 0.00 47 W 8.11 5.25 0.00 3.33 3.12 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 48 V 9.25 4.67 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 1.31 0.00 0.00 1.22 0.00 0.00 49 Q 9.38 5.26 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 50 L 8.95 5.08 0.00 0.50 0.67 -0.97 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.88 5.35 0.00 3.24 2.87 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 52 S 8.56 4.80 0.00 3.91 3.37 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 53 E 8.65 4.22 0.00 1.88 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 2.39 2.50 0.00 54 L 8.79 4.15 0.00 1.52 1.64 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 55 G 10.07 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 56 A 7.27 4.44 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 57 D 8.29 4.75 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 58 L 8.59 4.36 0.00 1.61 1.57 0.87 0.91 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 59 P 0.00 4.22 0.00 2.15 2.07 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 60 T 8.49 3.81 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 61 N 8.30 4.87 0.00 2.76 2.63 0.00 0.00 7.11 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 62 D 8.56 4.35 0.00 2.65 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 63 N 8.33 4.02 0.00 2.77 2.79 0.00 0.00 6.92 7.40 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 64 L 7.33 4.40 0.00 1.43 1.24 0.78 0.79 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 65 F 7.66 4.47 0.00 2.82 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 66 G 8.00 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.48 4.00 0.00 1.77 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 0.00 1.79 2.13 0.00 68 H 7.35 4.83 0.00 3.07 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.55 4.91 0.00 3.24 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 70 P 0.00 4.59 0.00 2.30 2.06 0.00 3.34 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 2.02 1.34 0.00 71 A 8.15 4.18 1.14 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 72 H 8.46 5.17 0.00 2.93 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.46 4.05 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 0.67 0.00 0.00 0.25 0.00 0.00 74 Q 9.17 4.68 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 75 G 8.80 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 76 R 8.48 5.25 0.00 1.83 1.84 0.00 3.20 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 77 L 8.83 4.59 0.00 1.78 1.55 0.99 1.24 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 78 D 9.52 4.57 0.00 2.92 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 79 G 8.49 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 80 K 7.75 4.71 0.00 1.83 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 81 S 8.77 5.23 0.00 3.78 3.73 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 82 I 8.60 4.89 1.54 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.84 0.00 0.00 83 L 8.62 5.31 0.00 1.50 1.20 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 84 W 8.91 6.04 0.00 3.58 3.16 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 85 S 8.88 5.36 0.00 4.04 3.66 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 86 Q 9.09 5.82 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.50 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 87 Q 9.24 4.86 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 88 S 8.52 4.00 0.00 3.60 3.36 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 89 L 8.48 4.02 0.00 1.70 1.65 1.08 1.13 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 90 V 7.42 3.58 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 0.76 0.00 0.00 0.84 0.00 0.00 91 G 8.96 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 0.00 0.00 0.00 92 L 7.59 4.27 0.00 1.72 1.80 0.98 1.23 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 93 D 8.23 4.93 0.00 2.79 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 94 I 8.36 3.77 1.83 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 1.35 0.64 0.89 0.00 0.00 95 D 8.21 4.49 0.00 2.75 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 96 E 7.95 4.17 0.00 2.10 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 2.27 2.31 0.00 *98 Q 8.31 4.13 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 99 A 8.22 4.10 1.49 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 0.00 0.00 100 W 8.58 4.37 0.00 3.51 3.26 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 0.00 101 L 8.13 3.82 0.00 1.72 1.83 1.24 0.77 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 0.00 102 E 8.40 4.03 0.00 2.28 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 0.00 2.37 2.52 0.00 103 R 8.46 4.04 0.00 2.30 2.24 0.00 3.33 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 104 F 8.65 4.04 0.00 2.90 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 0.00 105 I 8.17 3.60 1.95 0.00 0.00 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 1.59 0.65 0.94 0.00 0.00 106 D 8.41 4.51 0.00 2.89 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 0.00 107 D 8.05 4.51 0.00 2.89 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 0.00 108 I 7.55 3.45 1.76 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.30 0.72 0.00 0.00 109 E 8.14 3.89 0.00 2.19 2.01 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 2.33 2.56 0.00 110 Q 7.90 3.98 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 111 R 7.89 4.07 0.00 1.69 1.91 0.00 3.04 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 112 K 8.38 4.22 0.00 1.65 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.54 7.81 113 E 7.65 4.25 0.00 2.10 1.90 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 2.48 2.45 0.00 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.