NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3585 8.3044 120.3282 55.3025 33.0844 175.1328 2 E 3.9400 7.6549 120.4102 54.7642 30.9679 174.2424 3 K 3.7846 8.8243 127.3617 59.6712 32.7677 178.6028 4 K 3.9282 8.0648 118.8573 58.6519 32.0928 178.6396 5 K 3.5361 7.0885 116.9936 58.9086 32.1750 178.6842 6 V 3.0980 7.0493 118.1955 65.8315 31.3015 177.6945 7 A 3.9381 7.6780 120.3107 55.3045 17.9892 179.2768 8 E 3.8392 7.5199 116.0175 58.9388 30.0472 178.7470 9 W 4.6612 8.1286 119.4739 60.0456 29.0077 178.5488 10 L 4.1210 8.3158 117.4502 57.5573 41.1107 178.9435 11 A 4.2221 8.1584 119.2693 53.9300 18.4721 179.0526 12 Q 4.0986 7.8218 116.4175 57.8511 29.1244 177.5523 13 G 3.8858 8.9031 106.4256 44.7007 0.0000 172.1489 14 S 4.6552 8.0635 112.4015 56.8914 66.8632 173.4558 15 I 4.1602 8.2069 123.6422 59.8068 38.1642 175.3036 16 A 4.2856 8.5210 128.6813 50.9870 18.9288 176.6614 17 V 4.1844 8.1528 123.5839 61.0000 32.1666 174.4785 18 P 4.4869 0.0000 0.0000 62.5706 32.9210 177.6616 19 K 4.1095 8.8366 121.3583 59.4627 30.9320 179.6106 20 L 4.1743 8.0471 119.2061 57.4124 41.6384 179.0217 21 L 3.8805 7.9722 119.9286 58.1063 42.0103 178.2788 22 L 4.2638 7.7718 119.0150 58.4563 42.0615 178.7788 23 G 3.8013 8.2142 102.9301 46.5519 0.0000 174.0167 24 H 4.7632 7.6256 115.5042 55.6998 32.6538 174.7520 25 Y 4.0799 8.2276 120.3532 59.8456 38.3287 178.6632 26 K 3.9280 6.6233 120.5331 58.7501 32.3566 178.5629 27 Q 4.1952 7.8007 115.6549 58.6174 28.6013 177.4940 28 L 4.1621 7.3773 115.6900 54.7527 41.8853 177.5276 29 G 3.8915 8.5272 107.5780 45.5328 0.0000 173.6684 30 L 4.6598 7.9690 119.6305 53.6896 43.0131 176.5895 31 G 4.1972 9.2010 108.4650 43.2207 0.0000 174.9526 32 E 3.8397 8.7380 119.6193 59.3809 29.3910 180.0330 33 G 3.5832 8.0309 105.1072 47.7369 0.0000 175.4814 34 E 3.9004 8.0211 120.3573 59.0029 29.5331 178.6496 35 L 3.7110 7.8355 120.4625 58.3750 42.0491 179.1687 36 V 3.4262 7.7709 117.9325 65.8457 31.2867 177.7269 37 L 3.9325 7.9316 120.0728 58.1281 41.8912 178.8848 38 L 3.8863 7.9726 118.9455 57.7100 41.5337 179.5848 39 L 3.8760 7.8969 118.8248 58.1613 41.6259 179.1996 40 H 4.0697 8.5881 116.3459 59.1359 28.6518 177.7360 41 M 3.9364 8.2846 120.7451 58.3416 31.7208 178.3226 42 Q 3.6312 8.3292 119.9383 59.3048 28.6281 178.6935 43 S 4.0094 7.9313 113.7942 61.2994 62.3644 175.9253 44 F 4.3004 7.9846 120.4259 60.8920 38.7386 177.6021 45 F 4.7354 8.2102 117.1505 60.8781 38.5673 177.1451 46 E 4.3757 8.4674 115.7484 57.7578 29.4906 177.7359 47 E 4.5563 7.7180 116.8043 55.7168 29.9650 176.8782 48 G 3.8891 8.1271 107.7319 45.3504 0.0000 174.3694 49 V 4.1588 8.1043 120.3435 61.6398 30.5823 175.4368 50 L 4.5052 8.4141 127.1035 55.8157 42.7417 176.9554 51 F 5.2570 7.8185 120.0476 56.1214 39.3222 171.5185 52 P 4.3042 0.0000 0.0000 62.8070 32.4310 177.2146 53 T 4.2468 7.9525 110.0156 60.1672 71.5005 174.1957 54 P 4.1522 0.0000 0.0000 65.5136 31.0751 178.8846 55 A 3.9806 7.8329 118.6138 55.0949 18.4295 179.0967 56 E 4.0824 8.0847 117.1084 59.4680 29.3558 179.3464 57 L 4.1105 7.8798 118.8277 58.0080 41.7896 179.4640 58 A 3.9721 8.3399 120.3687 54.1840 18.0700 179.3930 59 E 3.9141 7.7753 115.4431 58.9447 29.8013 178.1480 60 R 4.3858 7.3950 115.3973 55.7973 30.2775 175.3607 61 M 4.7636 7.5571 117.7657 53.4632 34.8410 175.9353 62 T 4.1702 8.2953 108.5341 62.6740 69.5145 175.1653 63 V 4.3085 7.2748 115.6871 60.0020 33.3736 176.2581 64 S 4.3839 8.9627 117.8011 57.8937 64.9707 175.2612 65 A 3.9236 8.5044 123.6017 55.3696 18.0562 179.8682 66 A 3.9606 7.8750 118.6916 55.2227 18.4835 179.6068 67 E 3.8744 8.0614 116.7721 59.6329 29.4924 178.9157 68 C 3.9683 8.2826 119.0550 62.8849 31.4896 175.3616 69 M 3.9639 8.4541 120.0069 58.4594 31.7268 177.6834 70 E 3.8994 8.2363 119.5011 59.6459 29.7635 178.8330 71 M 4.0459 8.3693 119.0399 58.2366 31.9115 178.9426 72 V 3.4274 8.0277 118.7107 65.8714 31.6669 177.6393 73 R 3.8976 8.1051 118.7590 59.8950 29.8619 178.3475 74 R 3.8879 8.4083 118.4356 59.3145 30.0180 178.4658 75 L 4.0402 8.1737 119.0930 57.5379 41.7154 179.2992 76 L 4.3141 8.5086 120.8898 57.3371 41.4145 179.6748 77 Q 4.0477 8.0728 116.2199 59.2224 28.7467 178.2075 78 K 4.1963 8.4923 118.8008 56.4833 32.0614 177.2971 79 G 3.9321 7.6883 106.8228 46.9234 0.0000 175.0942 80 M 4.2488 8.0518 122.0559 56.7174 32.7786 176.5891 81 I 5.1322 7.4847 109.9958 59.2150 41.8248 174.1113 82 A 5.0432 8.9119 123.2581 50.5331 23.1201 174.8386 83 I 4.8267 8.4258 119.9163 59.9695 38.9240 175.2377 84 E 4.5680 9.0455 128.7397 54.9603 32.9405 176.9583 *85 E 4.0934 8.5526 115.7227 55.5504 31.6615 174.2449 *95 E 4.0876 8.3403 120.1874 55.8186 30.4640 174.8671 96 K 4.8070 8.0329 123.7243 55.9794 36.2484 174.6650 97 Y 4.9820 8.8960 120.3497 58.4004 38.9192 174.9252 98 T 4.8689 9.3759 116.9609 60.6303 71.3726 174.2036 99 L 4.7282 8.8014 123.9316 54.9493 43.0255 178.4868 100 E 4.1353 8.3030 119.9531 59.4107 29.4855 177.5342 101 P 4.3270 0.0000 0.0000 65.5875 31.2959 178.3807 102 L 3.8709 8.3157 119.5008 58.0053 41.9324 179.1431 103 W 4.1233 8.0266 118.3623 59.6433 29.0496 178.3000 104 E 4.0732 8.4157 118.7285 59.3857 28.9569 179.4633 105 K 4.0135 7.9906 118.3773 59.4512 32.0458 179.2334 106 L 3.9521 8.2707 121.0816 57.9869 41.9106 179.1810 107 V 3.7438 8.3719 118.8668 66.2011 31.4847 177.5727 108 H 4.1800 8.4852 118.1731 59.2472 29.6326 176.7446 109 H 4.0552 8.4854 120.1200 59.4053 29.8452 177.1025 110 L 3.9486 8.3482 121.1549 58.0551 41.3141 179.0412 111 Y 3.6461 8.3334 119.3793 60.8700 38.7225 178.2791 112 T 3.7938 7.8826 116.6148 66.6868 68.4753 176.3716 113 Q 3.8832 8.1238 121.3498 59.1043 28.8710 178.4218 114 A 3.8507 7.8272 121.3014 55.1820 18.5811 179.5543 115 A 3.5971 7.5434 119.0730 55.2298 18.1953 179.6347 116 Q 4.1180 7.7677 114.9066 57.8399 28.9107 177.4785 117 Q 4.5189 7.4784 117.5314 54.4083 29.1058 175.4292 118 G 3.9233 7.5392 107.0357 46.7296 0.0000 174.4457 119 E 4.3042 8.7301 119.6628 55.9794 29.9808 176.4185 120 L 4.0771 7.6159 116.7433 56.7833 42.4507 176.8101 *121 G 3.7274 7.9641 112.0105 45.6877 0.0000 172.5577 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 4.36 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 2 E 7.65 3.94 0.00 2.01 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 3 K 8.82 3.78 0.00 1.78 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.47 7.81 4 K 8.06 3.93 0.00 1.84 1.84 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 5 K 7.09 3.54 0.00 1.79 1.31 0.00 1.34 0.00 0.00 1.49 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 0.34 7.81 6 V 7.05 3.10 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 0.98 0.00 0.00 0.80 0.00 0.00 7 A 7.68 3.94 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 8 E 7.52 3.84 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 9 W 8.13 4.66 0.00 3.58 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 10 L 8.32 4.12 0.00 1.73 1.77 0.95 0.85 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 11 A 8.16 4.22 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 12 Q 7.82 4.10 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.45 0.00 0.00 0.00 0.00 0.00 2.82 2.63 0.00 13 G 8.90 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 0.00 0.00 0.00 14 S 8.06 4.66 0.00 3.81 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 15 I 8.21 4.16 1.83 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 1.31 0.39 0.94 0.00 0.00 16 A 8.52 4.29 1.27 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 0.00 0.00 17 V 8.15 4.18 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 0.87 0.00 0.00 0.92 0.00 0.00 18 P 0.00 4.49 0.00 2.58 2.23 0.00 3.84 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.41 0.00 19 K 8.84 4.11 0.00 1.86 1.92 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.58 7.81 20 L 8.05 4.17 0.00 1.94 1.87 1.11 0.66 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 21 L 7.97 3.88 0.00 1.73 1.84 0.89 0.36 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 22 L 7.77 4.26 0.00 1.86 1.94 0.97 1.17 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 23 G 8.21 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 24 H 7.63 4.76 0.00 3.34 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.23 4.08 0.00 3.18 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 26 K 6.62 3.93 0.00 1.33 1.30 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.29 7.81 27 Q 7.80 4.20 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 28 L 7.38 4.16 0.00 1.73 1.66 0.79 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.53 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 0.00 0.00 0.00 30 L 7.97 4.66 0.00 2.07 1.65 0.90 0.78 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 31 G 9.20 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.74 3.84 0.00 2.06 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 2.43 2.45 0.00 33 G 8.03 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.90 0.00 2.14 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 2.36 2.34 0.00 35 L 7.84 3.71 0.00 1.09 1.31 0.70 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.77 3.43 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 0.86 0.00 0.00 0.89 0.00 0.00 37 L 7.93 3.93 0.00 1.80 1.74 0.83 0.35 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 38 L 7.97 3.89 0.00 1.88 1.65 0.84 0.43 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 39 L 7.90 3.88 0.00 1.77 1.56 0.90 0.87 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 40 H 8.59 4.07 0.00 3.23 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 M 8.28 3.94 0.00 1.44 1.87 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 42 Q 8.33 3.63 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 43 S 7.93 4.01 0.00 3.90 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 44 F 7.98 4.30 0.00 3.23 3.28 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 45 F 8.21 4.74 0.00 3.31 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 46 E 8.47 4.38 0.00 1.99 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 2.43 2.61 0.00 47 E 7.72 4.56 0.00 2.29 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 2.29 2.40 0.00 48 G 8.13 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 0.00 0.00 0.00 49 V 8.10 4.16 2.29 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 0.80 0.00 0.00 1.13 0.00 0.00 50 L 8.41 4.51 0.00 1.81 1.66 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.82 5.26 0.00 2.90 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 52 P 0.00 4.30 0.00 1.55 0.90 0.00 4.22 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 53 T 7.95 4.25 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 1.16 0.00 0.00 54 P 0.00 4.15 0.00 2.13 2.18 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 55 A 7.83 3.98 1.27 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 0.00 0.00 56 E 8.08 4.08 0.00 1.76 1.73 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 2.31 2.26 0.00 57 L 7.88 4.11 0.00 1.62 1.70 0.73 0.80 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 58 A 8.34 3.97 1.41 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 0.00 0.00 59 E 7.78 3.91 0.00 2.08 2.31 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 2.34 2.30 0.00 60 R 7.40 4.39 0.00 1.70 1.94 0.00 3.04 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 61 M 7.56 4.76 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.30 0.00 62 T 8.30 4.17 4.23 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 1.19 0.00 0.00 63 V 7.27 4.31 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 0.74 0.00 0.00 0.90 0.00 0.00 64 S 8.96 4.38 0.00 4.01 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 65 A 8.50 3.92 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 66 A 7.87 3.96 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 67 E 8.06 3.87 0.00 2.19 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 2.32 2.30 0.00 68 C 8.28 3.97 0.00 2.97 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 69 M 8.45 3.96 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 70 E 8.24 3.90 0.00 2.29 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 2.30 2.39 0.00 71 M 8.37 4.05 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 72 V 8.03 3.43 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 0.98 0.00 0.00 0.80 0.00 0.00 73 R 8.11 3.90 0.00 2.05 2.13 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 74 R 8.41 3.89 0.00 1.88 1.96 0.00 3.15 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 75 L 8.17 4.04 0.00 1.84 1.68 0.83 0.46 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 76 L 8.51 4.31 0.00 1.91 1.79 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.07 4.05 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 78 K 8.49 4.20 0.00 1.69 1.91 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.54 7.81 79 G 7.69 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 0.00 0.00 0.00 80 M 8.05 4.25 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 81 I 7.48 5.13 2.09 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.93 0.00 0.00 82 A 8.91 5.04 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 83 I 8.43 4.83 1.89 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 1.26 0.80 0.76 0.00 0.00 84 E 9.05 4.57 0.00 1.83 1.77 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 2.21 2.23 0.00 *85 E 8.55 4.09 0.00 1.73 1.76 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 2.13 2.37 0.00 *95 E 8.34 4.09 0.00 1.66 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 1.74 2.04 0.00 96 K 8.03 4.81 0.00 1.84 1.74 0.00 1.21 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.32 7.81 97 Y 8.90 4.98 0.00 3.42 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 98 T 9.38 4.87 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 1.41 0.00 0.00 99 L 8.80 4.73 0.00 2.11 1.99 1.17 1.02 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 0.00 100 E 8.30 4.14 0.00 2.07 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 0.00 2.43 2.61 0.00 101 P 0.00 4.33 0.00 2.19 2.15 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 102 L 8.32 3.87 0.00 1.92 1.93 0.69 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.03 4.12 0.00 3.72 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 0.00 104 E 8.42 4.07 0.00 2.27 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 2.40 2.60 0.00 105 K 7.99 4.01 0.00 2.04 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 106 L 8.27 3.95 0.00 1.54 1.71 0.86 0.24 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 0.00 107 V 8.37 3.74 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 0.97 0.00 0.00 1.15 0.00 0.00 108 H 8.49 4.18 0.00 3.43 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.49 4.06 0.00 3.40 3.48 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.35 3.95 0.00 1.94 1.77 1.04 0.56 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 0.00 111 Y 8.33 3.65 0.00 3.35 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 0.00 112 T 7.88 3.79 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 1.18 0.00 0.00 113 Q 8.12 3.88 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 114 A 7.83 3.85 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 0.00 115 A 7.54 3.60 1.25 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 0.00 116 Q 7.77 4.12 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 117 Q 7.48 4.52 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 118 G 7.54 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 0.00 0.00 0.00 119 E 8.73 4.30 0.00 1.96 1.89 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 2.24 2.28 0.00 120 L 7.62 4.08 0.00 1.58 1.63 0.53 0.65 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 *121 G 7.96 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.