NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3302 8.1749 110.9393 60.9730 70.1524 172.8402 3 I 3.8433 8.0015 122.6320 60.7025 37.6438 174.9358 4 A 4.4249 9.4550 129.8459 51.8595 20.3598 176.0380 5 I 4.7773 8.1363 121.2033 59.3617 40.9704 174.7535 6 V 4.8119 8.3181 126.1661 61.0933 34.5780 173.9727 7 I 5.1164 9.0322 128.7399 59.6637 39.8602 174.9277 8 G 5.3132 9.5083 113.2290 43.8848 0.0000 171.5489 9 T 5.2117 8.2017 110.3998 59.9180 72.3978 173.4066 10 H 4.2235 9.1436 119.6416 56.9300 29.4035 178.0442 11 G 2.8358 8.2637 108.3364 45.8402 0.0000 175.2833 12 W 4.6332 8.8147 123.1722 56.2885 30.3517 177.0437 13 A 4.2151 7.8419 123.3859 54.5589 17.7964 180.1235 14 A 3.9704 8.1245 119.3537 55.5547 18.4796 179.1900 15 E 2.9169 7.7741 117.0276 59.2656 29.4261 178.9561 16 Q 3.9398 7.7825 117.5212 58.7155 28.8601 178.3978 17 L 3.9579 8.0578 120.2856 57.5786 41.5480 179.2942 18 L 3.9492 7.8280 120.3189 58.1002 42.0400 179.1579 19 K 3.9230 7.9357 118.4239 59.6525 31.8389 179.5038 20 T 3.7967 8.1897 116.0195 66.5341 68.4250 176.4592 21 A 3.9901 7.9954 122.5963 55.4461 18.3607 179.6215 22 E 4.6624 8.5045 118.3037 58.8786 29.2216 179.2061 23 M 4.0391 7.7305 117.9952 58.1954 32.3065 177.7146 24 L 4.2426 7.5163 118.1827 56.4988 42.2147 178.1176 25 L 4.6050 8.5828 116.3494 53.2181 43.2676 177.3935 26 G 4.0227 7.8973 105.2069 44.5453 0.0000 172.7651 27 E 4.3195 8.3738 118.3363 56.6604 29.9607 176.8981 28 Q 4.6748 9.0534 122.0952 54.2944 30.9460 175.1120 29 E 4.6116 8.4165 119.9218 55.4542 32.0588 174.7254 30 N 4.1755 8.6312 115.6108 54.9625 37.3500 173.5786 31 V 4.6952 7.8901 114.7141 60.9049 34.7798 174.4333 32 G 4.5341 9.1569 114.0048 44.5088 0.0000 171.0460 33 W 5.9650 7.8496 115.4239 55.4187 30.4869 173.6358 34 I 4.7161 9.0565 113.9892 59.3168 40.8841 173.5920 35 D 5.3282 8.6856 121.8376 51.6674 42.5870 175.1386 36 F 5.0996 8.3788 120.7546 56.7084 42.4657 173.6952 37 V 4.1057 9.3330 126.3861 59.8160 33.4625 173.1920 38 P 4.3962 0.0000 0.0000 64.1018 31.6382 175.9474 39 G 4.1795 9.1207 110.3815 45.9173 0.0000 174.0465 40 E 4.3775 8.1227 118.0898 55.8979 30.7009 175.5004 41 N 5.0043 8.0723 116.8703 50.6899 43.6107 175.2957 42 A 3.8491 8.2701 121.5982 55.6379 18.3717 179.6183 43 E 3.8895 8.0201 116.6271 59.6574 29.5631 179.5344 44 T 3.8139 7.7101 115.3318 66.6806 68.6053 176.5524 45 L 3.7559 7.6141 120.5732 57.6410 41.4485 179.5798 46 I 3.8020 8.0561 120.1993 64.5028 36.9853 178.2809 47 E 3.9459 8.0027 118.8260 59.3063 29.3984 179.5623 48 K 3.8373 7.8771 118.4403 59.5981 32.0912 178.9735 49 Y 4.3958 8.0996 117.3073 61.3485 37.8557 178.4461 50 N 4.4187 8.6565 117.4538 56.3884 38.4132 177.3473 51 A 4.0306 8.0455 121.3150 55.1231 18.6926 179.4915 52 Q 4.0316 7.9658 116.3792 59.1042 28.8064 178.7277 53 L 4.0096 8.4258 120.1944 57.7960 41.4418 179.3051 54 A 4.1529 7.9781 119.7347 54.6390 18.3112 178.8189 55 K 4.2996 7.7509 114.3601 55.8022 32.8924 176.4536 56 L 4.6603 7.3441 119.6311 52.7901 43.8309 175.8292 57 D 4.5914 8.8938 121.5394 53.9154 40.6460 175.9388 58 T 4.5281 8.2613 116.3962 61.4883 69.2416 176.5325 59 T 3.8996 8.5405 115.1717 64.7812 68.7274 175.3855 60 K 4.1629 8.5207 118.8850 56.0620 32.9429 175.4366 61 G 3.9547 6.3152 104.8927 42.9664 0.0000 172.6357 62 V 4.5272 8.0770 119.5216 60.7275 35.0653 173.5656 63 L 5.0364 8.6241 129.9965 53.3784 44.3439 174.8874 64 F 4.7909 9.2784 126.8155 56.4929 40.6987 174.8998 65 L 5.1330 9.0859 124.9127 53.3018 43.6467 176.1777 66 V 5.7241 9.0635 117.2957 58.5176 35.6472 176.8741 67 D 4.5635 9.0005 121.6582 56.3951 39.5792 176.4038 68 T 4.9515 7.7908 108.8847 58.3683 71.9659 172.6691 69 W 3.2081 8.5833 133.3717 58.4675 31.1145 176.5987 70 G 3.8489 6.7625 113.5909 45.7615 0.0000 174.0724 71 G 4.0955 7.4666 105.9429 43.6629 0.0000 174.8131 72 S 4.0271 8.6537 115.4580 61.2332 62.8091 175.1465 73 P 4.2657 0.0000 0.0000 65.6272 30.9603 178.4362 74 F 3.8859 8.1189 118.6942 61.3288 39.4081 176.7458 75 N 4.1558 8.7924 116.2402 56.2336 37.8149 177.3175 76 A 3.8480 8.2616 122.2400 55.0517 18.4980 179.5288 77 A 3.0497 7.5229 118.9757 55.0164 17.8941 179.9467 78 S 3.6494 7.5643 113.8182 61.7542 62.5834 177.2567 79 R 3.8449 7.3191 119.2471 58.9241 29.7646 178.8964 80 I 3.8055 6.7796 118.4190 64.1878 37.5270 178.3492 81 V 3.8864 7.8397 112.2667 63.3385 31.2417 179.4483 82 V 3.5009 6.6501 111.9092 64.0651 31.3568 178.1965 83 D 4.9556 7.6881 117.6944 54.0247 41.7848 175.7958 84 K 4.3766 7.7921 117.9725 54.2366 34.3083 176.3085 85 E 4.0519 8.4533 124.2153 57.2407 30.4548 175.5540 86 H 2.7915 8.7346 120.2426 56.8232 26.1736 173.4715 87 Y 5.1462 7.9495 115.2021 56.3111 40.9167 174.8549 88 E 4.9366 9.5083 123.5483 54.8105 34.0795 173.6227 89 V 4.9598 8.4652 123.3823 61.1406 34.2244 174.5619 90 I 4.7799 8.9565 128.2097 59.5445 39.9828 175.2710 91 A 4.7554 9.1275 129.0269 51.8633 20.0573 176.7696 92 G 3.8548 8.4867 105.6945 45.8637 0.0000 174.4751 93 V 3.6412 7.5535 118.7178 62.2345 31.6181 175.5643 94 N 5.1105 8.3688 119.5711 50.2602 41.8217 175.4765 95 I 3.7033 8.2409 120.8371 64.0921 37.1323 176.7988 96 P 4.2398 0.0000 0.0000 65.7046 31.2011 178.2450 97 M 3.9909 8.7504 117.3182 58.5275 32.1431 177.9558 98 L 3.9309 7.9777 120.3888 58.1337 42.2997 179.0531 99 V 3.5427 8.0782 118.4450 66.0891 31.5159 177.5946 100 E 3.9390 8.2855 119.0245 59.5178 29.4396 178.9373 101 T 3.8437 8.0015 115.7485 66.6832 68.3304 176.7792 102 L 4.0010 7.8723 119.7629 57.8248 41.7097 179.0170 103 M 4.1410 8.2205 118.0063 58.6788 32.1973 178.2474 104 A 4.2769 8.1089 122.2950 54.4744 18.3654 179.3031 105 R 3.7992 7.9886 117.4169 59.9364 29.7807 178.2513 106 D 4.5200 7.6753 116.1325 56.1287 40.5215 177.0370 107 D 4.6835 8.1045 119.7854 51.9679 40.7118 175.8821 108 D 4.3695 7.6274 117.5834 55.2115 39.8093 170.7643 109 P 4.5519 0.0000 0.0000 62.0478 33.1095 177.1165 110 S 4.4658 8.4066 113.9364 57.5180 65.0575 174.9890 111 F 3.9932 8.6628 123.9722 61.8503 39.1026 176.9325 112 D 4.3370 8.2582 117.7692 57.3673 40.6066 178.6053 113 E 3.9061 8.0165 118.5512 59.2719 29.4121 179.1688 114 L 3.8269 7.8317 120.2752 57.9938 42.2780 178.9776 115 V 3.3414 7.4537 117.9801 65.9548 31.4180 177.7635 116 A 3.9642 7.8459 120.3227 55.1038 18.1336 179.3307 117 L 3.8583 8.0204 118.5711 58.1570 42.1564 178.9936 118 A 3.9460 8.1986 121.0116 55.1605 18.3139 179.8281 119 V 3.5244 7.6424 116.3268 66.0761 31.5870 177.8719 120 E 3.9177 8.2637 119.3143 59.5835 29.5432 178.9330 121 T 4.0124 8.3670 110.3284 64.4581 68.6362 176.9211 122 G 3.5892 7.9111 107.9813 47.8095 0.0000 175.6738 123 R 4.1164 7.9862 120.8454 58.9501 29.9503 178.9702 124 E 4.2133 8.3377 117.1653 58.6812 29.5260 179.0943 125 G 3.8786 7.9018 104.8869 45.4701 0.0000 173.6138 126 V 4.0597 7.1514 120.8713 61.8533 31.5477 175.3672 127 K 4.4989 8.2686 125.2344 55.2734 36.0616 175.3033 128 A 4.5685 8.2853 125.9842 50.6390 20.4056 177.0543 129 L 3.8584 8.4945 126.0684 58.4874 42.6160 177.8866 *130 K 4.1323 7.8328 122.8641 54.7359 32.3452 177.4767 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 T 8.17 4.33 4.24 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 1.25 0.00 0.00 3 I 8.00 3.84 1.88 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 1.59 0.70 1.00 0.00 0.00 4 A 9.45 4.42 1.17 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 0.00 0.00 5 I 8.14 4.78 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.78 0.88 0.00 0.00 6 V 8.32 4.81 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 1.48 0.00 0.00 0.65 0.00 0.00 7 I 9.03 5.12 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 1.07 0.00 0.00 8 G 9.51 5.31 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 0.00 9 T 8.20 5.21 4.33 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 1.31 0.00 0.00 10 H 9.14 4.22 0.00 3.02 3.16 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.26 2.84 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 0.00 0.00 0.00 0.00 0.00 0.00 12 W 8.81 4.63 0.00 3.41 3.08 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 0.00 13 A 7.84 4.22 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 14 A 8.12 3.97 1.55 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 0.00 0.00 15 E 7.77 2.92 0.00 1.16 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 1.97 1.65 0.00 16 Q 7.78 3.94 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 17 L 8.06 3.96 0.00 1.83 1.72 0.96 0.34 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 18 L 7.83 3.95 0.00 1.75 1.68 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.94 3.92 0.00 1.92 1.79 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.53 7.81 20 T 8.19 3.80 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 1.20 0.00 0.00 21 A 8.00 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 22 E 8.50 4.66 0.00 2.12 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 2.46 2.42 0.00 23 M 7.73 4.04 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 24 L 7.52 4.24 0.00 1.76 1.70 0.92 1.40 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 25 L 8.58 4.60 0.00 1.63 1.68 0.92 1.04 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 26 G 7.90 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 27 E 8.37 4.32 0.00 1.98 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 2.33 2.35 0.00 28 Q 9.05 4.67 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 29 E 8.42 4.61 0.00 1.94 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 2.23 2.27 0.00 30 N 8.63 4.18 0.00 2.95 2.81 0.00 0.00 6.29 7.99 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 31 V 7.89 4.70 2.14 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 0.97 0.00 0.00 1.03 0.00 0.00 32 G 9.16 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 7.85 5.97 0.00 3.52 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 34 I 9.06 4.72 1.57 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.68 0.00 0.00 35 D 8.69 5.33 0.00 2.48 2.85 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 36 F 8.38 5.10 0.00 2.90 2.90 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 37 V 9.33 4.11 2.13 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 0.99 0.00 0.00 0.98 0.00 0.00 38 P 0.00 4.40 0.00 2.07 1.93 0.00 3.67 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 39 G 9.12 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 40 E 8.12 4.38 0.00 2.44 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 2.38 2.45 0.00 41 N 8.07 5.00 0.00 2.67 2.64 0.00 0.00 6.75 8.14 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 42 A 8.27 3.85 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 43 E 8.02 3.89 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 2.35 2.36 0.00 44 T 7.71 3.81 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 1.17 0.00 0.00 45 L 7.61 3.76 0.00 1.69 1.43 0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.06 3.80 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.86 0.89 0.00 0.00 47 E 8.00 3.95 0.00 2.13 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 2.51 2.47 0.00 48 K 7.88 3.84 0.00 1.65 1.56 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 49 Y 8.10 4.40 0.00 3.22 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 50 N 8.66 4.42 0.00 2.94 2.90 0.00 0.00 6.96 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 51 A 8.05 4.03 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 52 Q 7.97 4.03 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.48 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 53 L 8.43 4.01 0.00 1.92 1.82 1.30 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.98 4.15 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 55 K 7.75 4.30 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.61 7.81 56 L 7.34 4.66 0.00 1.65 1.64 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.89 4.59 0.00 2.63 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 58 T 8.26 4.53 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 1.23 0.00 0.00 59 T 8.54 3.90 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 1.27 0.00 0.00 60 K 8.52 4.16 0.00 1.78 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.44 7.81 61 G 6.32 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 62 V 8.08 4.53 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 0.01 0.00 0.00 0.49 0.00 0.00 63 L 8.62 5.04 0.00 1.70 1.40 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.28 4.79 0.00 3.07 2.79 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 65 L 9.09 5.13 0.00 1.61 1.63 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 V 9.06 5.72 2.24 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 0.60 0.00 0.00 1.23 0.00 0.00 67 D 9.00 4.56 0.00 2.83 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 68 T 7.79 4.95 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 1.28 0.00 0.00 69 W 8.58 3.21 0.00 3.24 2.82 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 0.00 0.00 0.00 70 G 6.76 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 71 G 7.47 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 0.00 0.00 0.00 72 S 8.65 4.03 0.00 3.45 3.34 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 73 P 0.00 4.27 0.00 2.23 2.21 0.00 3.43 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 74 F 8.12 3.89 0.00 3.24 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 75 N 8.79 4.16 0.00 2.93 2.79 0.00 0.00 6.97 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 76 A 8.26 3.85 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 77 A 7.52 3.05 0.65 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 78 S 7.56 3.65 0.00 3.64 3.61 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 79 R 7.32 3.84 0.00 1.78 1.89 0.00 3.07 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 80 I 6.78 3.81 1.59 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.45 0.92 0.00 0.00 81 V 7.84 3.89 2.37 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 0.98 0.00 0.00 0.88 0.00 0.00 82 V 6.65 3.50 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 0.62 0.00 0.00 0.88 0.00 0.00 83 D 7.69 4.96 0.00 2.52 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 84 K 7.79 4.38 0.00 1.51 1.01 0.00 1.35 0.00 0.00 1.54 0.00 0.00 2.48 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.57 1.03 7.81 85 E 8.45 4.05 0.00 1.81 1.65 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 2.09 2.24 0.00 86 H 8.73 2.79 0.00 3.18 2.55 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.95 5.15 0.00 2.88 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 88 E 9.51 4.94 0.00 2.39 1.93 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 2.27 2.40 0.00 89 V 8.47 4.96 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 0.60 0.00 0.00 0.63 0.00 0.00 90 I 8.96 4.78 1.94 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 1.25 0.76 0.99 0.00 0.00 91 A 9.13 4.76 1.44 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 92 G 8.49 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 93 V 7.55 3.64 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 0.76 0.00 0.00 0.98 0.00 0.00 94 N 8.37 5.11 0.00 2.96 2.93 0.00 0.00 6.29 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 95 I 8.24 3.70 1.88 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 1.65 0.94 0.91 0.00 0.00 96 P 0.00 4.24 0.00 2.28 2.10 0.00 3.71 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 2.12 2.15 0.00 97 M 8.75 3.99 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 98 L 7.98 3.93 0.00 1.91 1.65 0.93 0.80 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 99 V 8.08 3.54 2.14 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 0.89 0.00 0.00 0.99 0.00 0.00 100 E 8.29 3.94 0.00 2.23 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 2.30 2.49 0.00 101 T 8.00 3.84 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 1.16 0.00 0.00 102 L 7.87 4.00 0.00 1.65 1.73 0.98 0.87 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 0.00 103 M 8.22 4.14 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 104 A 8.11 4.28 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 0.00 105 R 7.99 3.80 0.00 2.08 2.02 0.00 3.08 0.00 0.00 3.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 106 D 7.68 4.52 0.00 2.88 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 0.00 107 D 8.10 4.68 0.00 2.93 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 0.00 108 D 7.63 4.37 0.00 2.69 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 0.00 109 P 0.00 4.55 0.00 2.19 2.03 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 110 S 8.41 4.47 0.00 4.10 4.05 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 0.00 111 F 8.66 3.99 0.00 2.92 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 0.00 112 D 8.26 4.34 0.00 2.77 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 0.00 113 E 8.02 3.91 0.00 2.27 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 2.32 2.32 0.00 114 L 7.83 3.83 0.00 1.64 1.44 0.86 0.68 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 0.00 115 V 7.45 3.34 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 0.99 0.00 0.00 0.29 0.00 0.00 116 A 7.85 3.96 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 0.00 117 L 8.02 3.86 0.00 1.80 1.76 0.91 1.19 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 0.00 118 A 8.20 3.95 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 0.00 119 V 7.64 3.52 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 1.09 0.00 0.00 0.99 0.00 0.00 120 E 8.26 3.92 0.00 2.13 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 2.30 2.31 0.00 121 T 8.37 4.01 4.24 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 1.28 0.00 0.00 122 G 7.91 3.59 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 0.00 0.00 0.00 123 R 7.99 4.12 0.00 1.89 1.98 0.00 3.12 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 1.65 1.81 0.00 124 E 8.34 4.21 0.00 1.98 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 2.34 2.57 0.00 125 G 7.90 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 0.00 126 V 7.15 4.06 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 0.89 0.00 0.00 1.00 0.00 0.00 127 K 8.27 4.50 0.00 1.74 1.64 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.60 7.81 128 A 8.29 4.57 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 0.00 129 L 8.49 3.86 0.00 1.60 1.70 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *130 K 7.83 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.