NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 T 4.3256 8.1749 117.3773 63.0506 69.8820 173.4789 16 D 4.4387 8.5095 124.9664 54.2226 42.0517 174.0355 17 I 4.4551 9.4228 123.0821 60.7420 39.4301 174.4009 18 H 5.4482 9.3968 123.8786 54.2205 31.5840 173.4432 19 A 5.2449 8.9788 122.6221 50.6278 23.5227 174.8985 20 V 4.9470 8.9983 118.4754 61.1876 34.9214 174.3929 21 L 5.3054 9.0541 126.9729 52.5559 44.9400 176.3788 22 A 4.4720 8.9613 125.9027 51.7056 19.0068 179.0097 23 S 4.0514 8.5568 114.1985 60.8704 63.0025 174.9933 24 N 4.5970 8.1813 116.6162 52.6542 37.5163 175.7878 25 G 3.9879 8.3491 108.7233 45.2492 0.0000 173.7539 26 R 3.7301 8.2521 121.2261 55.9378 30.7636 175.2782 27 I 4.2501 8.6582 126.7097 61.4169 37.3837 176.6152 28 I 4.0704 8.8720 129.5182 63.4950 38.0623 176.0779 29 Y 4.8850 7.6874 120.9966 56.2628 42.3138 173.6102 30 I 4.3736 6.9569 124.0362 59.2199 41.4685 174.3754 31 S 4.5695 8.7293 122.3432 57.0690 64.4530 175.0912 32 A 4.1149 8.6540 121.9131 54.3760 18.2077 178.7003 33 N 4.5769 7.9509 114.2240 53.6065 37.5152 176.7555 34 S 4.0516 8.1252 118.6381 61.6997 62.6659 176.5677 35 K 4.3607 7.8901 124.3834 58.6411 31.7590 178.5906 36 L 3.8321 7.7298 118.9677 58.2599 42.1711 177.7664 37 H 4.6436 7.7492 113.5011 56.6698 29.7719 176.4327 38 L 4.6466 8.2118 118.4071 53.5055 42.9974 178.1114 39 G 3.9003 8.0321 106.5897 45.2478 0.0000 172.7704 40 Y 4.8979 7.3680 117.4116 55.6220 40.3477 175.3840 41 L 4.2093 9.3124 124.9586 54.4158 42.6491 178.2497 42 Q 4.0074 8.8711 120.7242 59.6349 28.0559 179.2048 43 G 3.7502 7.9636 105.1776 46.5930 0.0000 174.7690 44 E 4.2657 8.2447 119.9354 58.5026 29.9145 177.8062 45 M 4.4193 7.6647 117.8092 55.5148 33.2625 176.3410 46 I 4.0833 7.1213 120.1484 62.5154 37.6567 176.1910 47 G 3.8774 9.2815 114.5138 45.1216 0.0000 173.6170 48 S 4.5843 7.8030 115.4163 56.8971 65.1720 172.9663 49 F 4.9255 8.2618 120.0034 56.0342 40.3016 177.0036 50 L 4.2540 8.9107 126.8441 58.4423 42.0279 179.5289 51 K 4.1081 8.1330 116.8613 58.9779 32.2461 179.0418 52 T 3.6250 7.6909 115.2331 65.8895 68.5097 175.0162 53 F 4.4473 8.1868 118.7293 56.6985 39.0098 174.9819 54 L 4.9887 7.1500 120.1116 52.6206 44.8589 176.8261 55 H 4.5035 8.4339 118.3797 55.1130 30.9491 176.6230 56 E 3.9788 8.6836 121.4052 59.8038 29.2347 179.3985 57 E 4.0436 8.2840 118.0177 59.8549 29.5946 179.0852 58 D 4.5589 8.1129 118.0489 57.0309 40.9609 178.6279 59 Q 3.9886 8.2438 118.9791 58.9709 28.6844 178.7472 60 F 4.1199 8.3096 121.6073 61.0124 39.4513 176.6795 61 L 3.9346 8.1173 120.1595 58.4693 41.6157 179.3114 62 V 3.6440 7.6480 116.4404 65.8855 31.5819 177.3327 63 E 4.2281 8.4817 119.3716 59.3184 29.4488 178.8459 64 S 3.9909 8.2182 115.8187 61.6148 62.9459 175.6915 65 Y 3.9115 7.8552 121.7421 60.6560 38.2175 177.7811 66 F 4.4370 7.8922 114.8398 58.2875 39.3762 175.5962 67 Y 4.5885 8.0066 121.7573 58.2726 40.2688 174.9150 68 N 4.6536 7.1151 112.7796 53.4365 36.9902 177.3290 *71 H 4.3616 8.9430 111.2134 55.3422 29.5422 172.7772 72 L 4.1736 8.6029 125.7641 57.1909 42.3956 176.2609 73 M 4.9393 7.6869 115.8117 52.1311 35.7666 172.6962 74 P 4.5415 0.0000 0.0000 63.0865 32.8159 175.1332 75 C 4.0465 8.6205 121.4524 58.9444 32.2661 172.1080 76 T 5.2654 8.5234 123.4470 61.8860 70.2454 173.7482 77 F 5.1787 8.5892 119.8819 55.8978 41.9710 173.1606 78 R 4.2624 8.4347 119.3199 55.2402 30.9206 175.8617 79 F 5.0340 9.0451 126.3135 56.5075 42.1442 174.3230 80 I 4.6214 8.3224 127.5383 60.0087 37.6658 176.2206 81 K 4.8414 9.3681 127.8744 55.6225 32.7746 178.2001 82 K 3.5448 8.1929 120.7290 58.7382 31.8042 177.0736 83 D 4.4419 7.8341 115.4216 53.5038 39.4135 176.5482 84 H 4.3233 8.1506 115.8444 56.3291 27.2095 174.6326 85 T 4.7415 7.9801 110.6597 60.3157 71.1660 173.7722 86 I 4.9560 8.1838 115.8554 59.8171 39.7861 175.1377 87 V 4.6166 8.5661 116.4352 59.3353 35.8698 174.7738 88 W 4.7001 8.6886 123.0746 56.2603 30.7181 175.4067 89 V 4.6286 8.7108 124.3086 60.8776 34.4124 173.5395 90 E 4.9570 9.0769 128.6273 54.4329 31.7117 174.0898 91 A 5.1432 9.0914 129.3682 50.0555 21.6634 174.9299 92 A 4.5503 9.0899 125.9993 51.6434 20.0438 176.1958 93 V 4.9874 8.5001 122.2793 61.0576 34.0996 174.3948 94 E 4.8173 9.3992 127.9275 54.5341 33.1525 173.9420 95 I 4.8864 8.5164 126.8902 59.9061 39.1313 174.9702 96 V 4.2573 8.6773 127.5585 61.8102 33.0476 174.4670 97 T 5.1705 8.6002 124.6560 61.9052 71.0897 173.5977 98 T 4.5997 9.0917 116.5965 59.9030 72.0176 173.0779 99 R 4.4596 8.8252 124.5680 56.0719 30.9132 174.5220 100 A 4.3512 8.9297 126.9017 51.3758 21.0718 176.3591 101 E 4.3554 8.8858 117.6058 55.5042 32.2267 175.6269 102 R 4.6959 7.5360 116.7815 54.3494 33.0909 173.7719 103 T 4.8185 8.2507 118.3772 63.0386 69.4577 174.1679 104 E 4.8920 9.4748 125.2684 54.6001 33.5224 175.1605 105 R 5.2084 8.5182 120.0418 54.5970 33.9600 174.5182 106 E 4.8207 9.2404 121.7894 54.5874 33.9791 174.7350 107 I 4.8567 8.7149 123.7387 59.8204 39.7559 174.5484 108 I 4.8687 8.9326 128.8784 59.8051 39.0985 174.7823 109 L 5.3605 9.2291 127.1774 52.7349 45.2416 175.4389 110 K 4.9243 8.9074 123.3108 55.0241 34.8734 174.7453 111 M 5.4886 9.2601 127.1138 53.4635 36.2419 174.7880 112 K 4.7604 8.5302 119.3786 55.1454 36.6940 175.3700 113 V 4.1131 8.1189 122.3453 62.6688 32.4132 175.4262 114 L 4.3649 8.8930 129.0571 53.9196 41.5910 176.7016 115 E 4.3193 8.6234 123.8703 55.3489 30.5150 176.9345 116 E 4.1437 8.6088 121.5355 56.5966 30.2924 177.0967 117 E 4.2713 8.6395 120.9905 56.5415 29.8527 175.9232 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 15 T 8.17 4.33 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 16 D 8.51 4.44 0.00 2.52 2.46 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 17 I 9.42 4.46 1.77 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 1.19 0.47 0.81 0.00 0.00 18 H 9.40 5.45 0.00 3.20 3.34 0.00 5.58 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 19 A 8.98 5.24 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 20 V 9.00 4.95 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 1.02 0.00 0.00 1.04 0.00 0.00 21 L 9.05 5.31 0.00 1.52 1.49 0.92 0.86 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 22 A 8.96 4.47 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 23 S 8.56 4.05 0.00 3.97 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 0.00 24 N 8.18 4.60 0.00 2.90 3.01 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 26 R 8.25 3.73 0.00 1.41 1.61 0.00 2.90 0.00 0.00 2.90 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.00 27 I 8.66 4.25 2.05 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 1.22 0.46 0.86 0.00 0.00 28 I 8.87 4.07 2.04 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 1.31 0.77 0.95 0.00 0.00 29 Y 7.69 4.88 0.00 3.04 2.78 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 30 I 6.96 4.37 1.65 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.68 0.00 0.00 31 S 8.73 4.57 0.00 4.01 4.15 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 32 A 8.65 4.11 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 33 N 7.95 4.58 0.00 2.94 3.06 0.00 0.00 6.01 7.15 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 34 S 8.13 4.05 0.00 3.99 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 35 K 7.89 4.36 0.00 1.92 1.81 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.31 7.81 36 L 7.73 3.83 0.00 1.54 1.59 0.84 0.83 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 37 H 7.75 4.64 0.00 3.10 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.21 4.65 0.00 1.72 1.45 0.22 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.03 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 40 Y 7.37 4.90 0.00 3.00 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 41 L 9.31 4.21 0.00 1.79 1.61 0.95 0.87 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 42 Q 8.87 4.01 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 43 G 7.96 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 0.00 0.00 0.00 44 E 8.24 4.27 0.00 2.33 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 0.00 2.46 2.44 0.00 45 M 7.66 4.42 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 1.90 0.00 46 I 7.12 4.08 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.49 0.98 0.00 0.00 47 G 9.28 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 48 S 7.80 4.58 0.00 4.24 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 49 F 8.26 4.93 0.00 3.04 2.94 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 0.00 0.00 0.00 50 L 8.91 4.25 0.00 1.79 1.74 1.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.13 4.11 0.00 1.83 1.80 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.45 7.81 52 T 7.69 3.63 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 0.60 0.00 0.00 53 F 8.19 4.45 0.00 2.46 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 0.00 0.00 0.00 54 L 7.15 4.99 0.00 1.52 1.52 0.71 1.16 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 55 H 8.43 4.50 0.00 3.35 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.68 3.98 0.00 2.02 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 2.40 2.40 0.00 57 E 8.28 4.04 0.00 2.05 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 0.00 2.44 2.44 0.00 58 D 8.11 4.56 0.00 2.87 2.81 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 0.00 0.00 0.00 59 Q 8.24 3.99 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 60 F 8.31 4.12 0.00 3.19 3.24 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 61 L 8.12 3.93 0.00 2.15 1.91 1.08 1.26 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 62 V 7.65 3.64 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 0.83 0.00 0.00 0.53 0.00 0.00 63 E 8.48 4.23 0.00 2.07 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 2.33 2.39 0.00 64 S 8.22 3.99 0.00 3.79 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 65 Y 7.86 3.91 0.00 3.09 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 66 F 7.89 4.44 0.00 3.21 3.18 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 67 Y 8.01 4.59 0.00 2.88 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 68 N 7.12 4.65 0.00 2.68 1.70 0.00 0.00 6.92 7.78 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 *71 H 8.94 4.36 0.00 3.01 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.60 4.17 0.00 1.59 1.72 0.92 0.90 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 73 M 7.69 4.94 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 74 P 0.00 4.54 0.00 2.07 2.08 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 75 C 8.62 4.05 0.00 1.23 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 5.27 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 1.35 0.00 0.00 77 F 8.59 5.18 0.00 3.17 3.20 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 78 R 8.43 4.26 0.00 1.69 1.59 0.00 2.80 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 79 F 9.05 5.03 0.00 3.19 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 80 I 8.32 4.62 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.95 0.00 0.00 81 K 9.37 4.84 0.00 2.09 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.68 1.63 7.81 82 K 8.19 3.54 0.00 0.79 1.43 0.00 1.29 0.00 0.00 1.42 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 0.86 7.81 83 D 7.83 4.44 0.00 2.77 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 84 H 8.15 4.32 0.00 3.40 3.55 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.98 4.74 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 1.32 0.00 0.00 86 I 8.18 4.96 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 0.91 0.00 0.00 87 V 8.57 4.62 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 0.80 0.00 0.00 1.03 0.00 0.00 88 W 8.69 4.70 0.00 3.29 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 89 V 8.71 4.63 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 0.00 0.00 0.69 0.00 0.00 0.68 0.00 0.00 90 E 9.08 4.96 0.00 2.00 1.72 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 2.18 2.21 0.00 91 A 9.09 5.14 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 92 A 9.09 4.55 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 93 V 8.50 4.99 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 1.07 0.00 0.00 1.05 0.00 0.00 94 E 9.40 4.82 0.00 2.07 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 2.23 2.30 0.00 95 I 8.52 4.89 1.94 0.00 0.00 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 1.37 1.15 1.03 0.00 0.00 96 V 8.68 4.26 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 1.04 0.00 0.00 0.96 0.00 0.00 97 T 8.60 5.17 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 98 T 9.09 4.60 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 1.22 0.00 0.00 99 R 8.83 4.46 0.00 1.70 1.92 0.00 3.16 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 100 A 8.93 4.35 1.19 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 0.00 0.00 101 E 8.89 4.36 0.00 1.93 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 2.21 2.27 0.00 102 R 7.54 4.70 0.00 1.84 1.89 0.00 3.37 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 103 T 8.25 4.82 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 1.22 0.00 0.00 104 E 9.47 4.89 0.00 1.80 1.80 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 2.21 2.39 0.00 105 R 8.52 5.21 0.00 1.64 1.80 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 106 E 9.24 4.82 0.00 1.89 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 2.22 2.26 0.00 107 I 8.71 4.86 1.89 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 1.12 0.00 0.00 108 I 8.93 4.87 1.94 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 1.41 1.11 0.98 0.00 0.00 109 L 9.23 5.36 0.00 1.58 1.59 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.91 4.92 0.00 1.82 1.62 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.29 7.81 111 M 9.26 5.49 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 112 K 8.53 4.76 0.00 1.69 1.90 0.00 1.25 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.31 7.81 113 V 8.12 4.11 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 0.84 0.00 0.00 0.81 0.00 0.00 114 L 8.89 4.36 0.00 1.60 1.61 0.88 0.87 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 0.00 115 E 8.62 4.32 0.00 1.96 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 2.32 2.34 0.00 116 E 8.61 4.14 0.00 1.98 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 2.37 2.32 0.00 117 E 8.64 4.27 0.00 1.93 1.82 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 2.21 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.