NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2947 8.3027 120.2260 55.8554 31.4380 175.9144 3 I 3.5295 8.4111 122.5398 62.7748 37.5995 175.8013 4 Q 4.3795 8.8040 117.0500 57.0219 30.1962 176.9978 5 E 3.9995 9.0242 120.7686 59.7465 29.7724 178.6516 6 I 3.7061 7.6990 117.9643 63.8337 37.9769 177.7099 7 S 4.0275 7.6505 112.9933 61.3304 62.2611 176.1643 8 K 4.0253 7.7161 120.7927 59.0222 31.9333 178.5700 9 L 3.9347 7.6890 120.6853 57.9624 42.1020 178.7089 10 A 4.0374 8.0921 120.8386 54.8936 18.2969 179.8359 11 I 3.6311 7.8043 118.4613 64.5619 37.3652 178.0137 12 E 3.9109 8.3391 120.0468 59.4190 29.1474 178.7029 13 A 4.8354 7.5948 120.6771 54.8519 18.8464 179.4058 14 L 4.0886 7.7794 116.8187 57.7120 40.0850 179.3377 15 E 4.1409 8.2371 118.3219 58.7966 29.4786 178.7315 16 D 4.6819 8.0717 119.0180 55.9744 40.8995 176.9591 17 I 4.5763 7.0251 118.7765 62.8586 38.2117 176.3072 18 K 3.8091 8.1291 114.6074 57.5424 29.3232 175.2552 19 G 3.8047 8.0246 107.8941 45.0781 0.0000 171.8215 20 K 4.3832 8.6862 122.3425 55.9230 34.1005 176.3489 21 D 4.3838 8.5838 120.0561 55.3907 38.3953 174.5907 22 I 4.2948 7.4827 118.6854 61.3142 38.2702 177.2919 23 I 4.7568 8.5894 119.4425 59.0176 41.5239 173.7699 24 E 4.9173 8.7361 123.4859 54.5439 31.8971 174.6159 25 L 4.7067 8.5004 126.2977 53.1828 45.0124 175.4096 26 D 5.1195 8.6427 123.3539 53.2599 40.1996 175.8981 27 T 4.2496 8.9144 112.6772 61.6634 69.4583 177.5262 28 S 3.9942 7.7023 118.2195 61.8335 62.7692 175.9351 29 K 4.5200 7.9618 118.2780 55.4623 31.8764 177.2494 30 L 4.7529 8.2672 121.2829 55.6763 43.8006 176.3103 31 T 4.5072 7.4792 105.9078 61.0841 70.9846 173.0652 32 S 4.5010 8.2100 114.9634 58.5352 64.2942 175.3196 33 L 4.0238 7.6025 121.2777 57.4407 41.3585 176.9844 34 F 4.8747 6.4087 109.1057 55.9497 40.6426 173.6288 35 Q 4.2877 9.4478 121.1492 57.8000 30.3282 175.4334 36 R 5.3122 7.5259 116.9357 53.2677 34.3675 173.7109 *38 I 4.3834 8.0141 119.0424 61.1417 39.1667 175.3365 39 V 4.7512 8.6273 125.3127 61.2614 34.0499 174.0354 40 A 5.0830 9.2242 129.9194 50.4261 22.7042 174.5312 41 T 4.6398 9.1031 116.4874 61.6974 71.2225 174.2684 42 G 4.3912 8.3526 113.6098 43.7276 0.0000 173.5502 43 D 4.5769 9.2400 124.4007 55.9370 41.2897 176.9397 44 S 4.6426 7.6660 112.8450 56.0522 66.7185 174.8232 45 N 4.4694 8.7615 122.3546 56.0583 38.2563 177.6195 46 R 3.8847 7.9747 118.5249 59.5396 30.2402 178.7899 47 Q 3.9821 7.6304 117.8318 58.9729 28.9448 178.2794 48 V 3.5836 8.5074 120.0052 66.0801 31.5513 178.3013 49 K 3.8414 8.7057 118.2270 59.0782 31.7772 179.3652 50 A 4.0170 7.9735 121.4175 54.9788 18.3341 179.6473 51 L 3.8967 8.3864 117.7490 57.9243 41.6330 179.5832 52 A 4.0383 8.2267 120.8182 55.2703 18.2555 179.5123 53 N 4.2867 8.5437 115.3438 56.4612 38.6799 177.4400 54 S 4.0813 8.6640 114.8955 61.5769 62.5516 176.4260 55 V 3.6081 7.9255 120.7074 66.0373 31.1994 178.1385 56 Q 3.9472 7.8414 117.5294 59.0546 28.6621 178.7405 57 V 3.6341 8.1490 119.5778 65.7455 31.0783 178.3353 58 K 3.9797 8.1599 118.4065 59.4619 32.0343 179.4057 59 L 3.8319 7.8262 118.4548 57.1657 41.3579 179.7635 60 K 4.0140 8.0173 119.0005 59.3016 31.9903 178.8245 61 E 4.1201 7.9563 115.8073 57.7796 29.4155 177.8804 62 A 4.5787 7.3028 119.5984 50.6947 20.3100 176.2106 63 G 3.6683 8.2573 105.2067 47.1339 0.0000 176.4072 64 V 4.2708 7.7026 117.2762 59.6717 31.9806 173.9888 65 D 4.4771 8.3466 123.5342 54.1186 41.5649 176.1549 66 I 4.4063 8.0092 115.0072 58.7450 39.3085 176.7022 67 V 3.3710 8.1990 125.3707 64.6023 31.7443 175.2877 68 G 4.3106 6.3210 105.5407 43.3725 0.0000 172.0265 69 S 5.1187 7.6780 114.9976 55.7467 65.9510 172.8512 70 E 4.4683 8.4434 118.1171 56.3495 32.5018 175.5588 71 G 3.7903 8.8794 112.6124 46.3530 0.0000 174.5891 72 H 4.2545 8.1100 119.1798 57.6982 29.5726 175.9286 73 E 4.1875 7.6042 117.5840 59.1379 30.2359 178.1182 74 S 4.1407 7.9053 116.8949 58.5109 63.5109 174.7200 75 G 3.8442 7.8957 107.3469 46.8257 0.0000 175.0419 76 E 4.3205 8.4531 119.8765 56.8850 31.1952 176.5087 77 W 5.1615 7.8338 128.6472 56.3373 31.5773 172.5565 78 V 4.5159 9.1858 126.1503 60.9738 33.2902 174.0983 79 L 4.8602 8.6563 129.4468 53.4403 44.5849 175.5564 80 V 4.2282 8.7036 129.0553 61.4351 32.5995 174.3839 81 D 4.7672 8.8381 129.5061 53.0940 41.6766 176.6993 82 A 5.0666 8.5245 133.1505 51.4680 21.0959 179.6306 83 G 3.8458 8.6404 113.3790 47.8707 0.0000 174.9505 84 D 4.6748 9.1191 126.2595 54.9869 42.6258 175.9175 85 V 5.4935 7.8183 118.9655 59.7933 34.9632 174.5516 86 V 4.8363 8.0617 125.4971 59.8969 34.5200 174.5124 87 V 4.5123 8.5233 123.1405 61.4970 34.2078 173.8300 88 H 5.3466 9.6749 125.6099 54.1728 31.1386 173.2665 89 V 5.2163 8.5971 123.4020 60.1284 34.6382 174.6856 *91 L 4.6357 8.5249 124.5357 53.7705 43.1735 175.8024 92 P 3.9679 0.0000 0.0000 66.4556 30.9301 178.6677 93 A 3.1618 7.6210 120.2002 53.9735 18.3962 179.7273 94 V 3.5626 7.3746 116.4246 66.0351 31.7309 177.8374 95 R 3.6335 8.3031 118.8158 59.5947 29.6474 177.7186 96 D 4.1884 7.4495 116.0371 57.4466 41.1619 177.3687 97 Y 4.1505 7.4201 118.4224 61.1626 38.8909 177.4892 98 Y 3.7479 7.5733 115.6833 58.2878 38.1648 175.3711 99 D 4.2664 8.2276 118.7682 54.9832 39.7723 174.1120 100 I 3.7539 7.0366 113.4858 62.9632 38.5837 177.8768 101 E 3.9787 7.6725 121.0021 59.3063 29.1885 178.6712 102 A 4.7308 7.9798 121.8138 54.4240 18.1664 179.0571 103 L 3.6468 6.9824 117.4164 57.9749 42.1441 179.3835 104 W 4.8574 7.9169 115.8768 56.5912 31.8023 176.4741 105 G 4.0079 8.2421 103.8947 46.3073 0.0000 174.3524 106 G 4.2505 8.2166 106.5917 43.8068 0.0000 170.2666 107 Q 4.7669 8.4377 119.8154 53.7090 30.3148 175.7266 108 K 4.4552 8.4236 121.7671 55.5283 33.5715 175.0835 109 P 4.3420 0.0000 0.0000 62.4190 31.8303 175.9783 110 S 4.1856 8.5693 114.5617 59.0529 63.5705 171.3009 111 F 4.6221 8.9568 125.5456 56.3154 41.0129 175.6736 112 A 3.4752 8.7870 118.9503 52.9197 16.1063 177.8557 113 V 3.9800 6.0663 116.3201 61.0741 34.8518 173.4820 114 G 3.4492 6.4151 103.9776 43.9347 0.0000 174.3609 115 A 4.5263 7.9070 129.1015 50.6181 19.4029 177.0011 116 A 4.1371 8.1333 125.0839 55.0074 19.6766 178.7960 117 K 4.6477 7.5010 114.5439 54.3871 32.4596 175.2748 118 P 4.0690 0.0000 0.0000 64.6807 31.9733 178.3621 119 W 4.7109 7.7279 116.8208 57.3883 29.6952 176.0434 120 S 4.4317 7.6265 118.1631 58.2248 61.8060 173.3053 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 E 8.30 4.29 0.00 2.01 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 2.30 2.25 0.00 3 I 8.41 3.53 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 1.47 1.21 0.91 0.00 0.00 4 Q 8.80 4.38 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 5 E 9.02 4.00 0.00 2.18 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 2.32 2.50 0.00 6 I 7.70 3.71 1.86 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 1.51 1.34 1.00 0.00 0.00 7 S 7.65 4.03 0.00 3.98 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 8 K 7.72 4.03 0.00 1.90 1.92 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 L 7.69 3.93 0.00 1.86 1.79 0.91 1.70 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 10 A 8.09 4.04 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 11 I 7.80 3.63 1.99 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 1.39 1.13 0.90 0.00 0.00 12 E 8.34 3.91 0.00 2.12 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 2.31 2.34 0.00 13 A 7.59 4.84 1.40 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 14 L 7.78 4.09 0.00 1.90 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.24 4.14 0.00 2.21 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 2.59 0.00 16 D 8.07 4.68 0.00 2.83 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 17 I 7.03 4.58 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 1.30 0.87 0.92 0.00 0.00 18 K 8.13 3.81 0.00 1.82 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.36 7.81 19 G 8.02 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 20 K 8.69 4.38 0.00 1.99 1.72 0.00 2.14 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.40 7.81 21 D 8.58 4.38 0.00 2.73 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 22 I 7.48 4.29 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 1.39 0.46 0.90 0.00 0.00 23 I 8.59 4.76 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 1.29 0.88 0.98 0.00 0.00 24 E 8.74 4.92 0.00 1.93 1.83 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 2.15 2.27 0.00 25 L 8.50 4.71 0.00 1.60 1.57 1.07 1.01 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 26 D 8.64 5.12 0.00 2.69 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 27 T 8.91 4.25 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 0.52 0.00 0.00 28 S 7.70 3.99 0.00 3.95 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 29 K 7.96 4.52 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.46 7.81 30 L 8.27 4.75 0.00 2.03 2.20 1.03 0.91 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 31 T 7.48 4.51 4.06 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 1.37 0.00 0.00 32 S 8.21 4.50 0.00 3.94 3.97 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 33 L 7.60 4.02 0.00 0.41 1.60 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 F 6.41 4.87 0.00 3.15 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 35 Q 9.45 4.29 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 36 R 7.53 5.31 0.00 1.88 1.73 0.00 3.27 0.00 0.00 3.38 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 *38 I 8.01 4.38 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 1.20 0.71 0.97 0.00 0.00 39 V 8.63 4.75 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 0.88 0.00 0.00 0.88 0.00 0.00 40 A 9.22 5.08 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 41 T 9.10 4.64 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 1.20 0.00 0.00 42 G 8.35 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 0.00 0.00 0.00 0.00 43 D 9.24 4.58 0.00 2.69 2.76 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 44 S 7.67 4.64 0.00 4.01 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 45 N 8.76 4.47 0.00 2.84 3.05 0.00 0.00 7.61 7.66 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 46 R 7.97 3.88 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 47 Q 7.63 3.98 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 48 V 8.51 3.58 2.30 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 1.07 0.00 0.00 0.95 0.00 0.00 49 K 8.71 3.84 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.41 7.81 50 A 7.97 4.02 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 51 L 8.39 3.90 0.00 1.85 1.74 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.23 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.29 0.00 2.94 2.89 0.00 0.00 6.66 7.28 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 54 S 8.66 4.08 0.00 3.93 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 55 V 7.93 3.61 2.23 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 0.96 0.00 0.00 0.99 0.00 0.00 56 Q 7.84 3.95 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 57 V 8.15 3.63 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 1.03 0.00 0.00 0.97 0.00 0.00 58 K 8.16 3.98 0.00 2.06 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 59 L 7.83 3.83 0.00 1.71 1.70 0.90 0.70 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 K 8.02 4.01 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 61 E 7.96 4.12 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 2.34 2.62 0.00 62 A 7.30 4.58 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 63 G 8.26 3.67 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 0.00 0.00 0.00 64 V 7.70 4.27 2.18 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 0.83 0.00 0.00 0.92 0.00 0.00 65 D 8.35 4.48 0.00 2.70 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 66 I 8.01 4.41 1.85 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 1.28 0.91 0.89 0.00 0.00 67 V 8.20 3.37 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 0.82 0.00 0.00 0.97 0.00 0.00 68 G 6.32 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 0.00 0.00 0.00 0.00 69 S 7.68 5.12 0.00 3.95 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 70 E 8.44 4.47 0.00 1.99 1.64 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 2.07 2.16 0.00 71 G 8.88 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 72 H 8.11 4.25 0.00 3.10 3.36 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.60 4.19 0.00 2.13 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 2.27 2.24 0.00 74 S 7.91 4.14 0.00 4.04 4.07 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 75 G 7.90 3.84 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 76 E 8.45 4.32 0.00 2.10 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 0.00 2.28 2.23 0.00 77 W 7.83 5.16 0.00 3.25 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 78 V 9.19 4.52 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 0.98 0.00 0.00 0.97 0.00 0.00 79 L 8.66 4.86 0.00 1.72 1.36 0.68 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.70 4.23 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 0.83 0.00 0.00 0.93 0.00 0.00 81 D 8.84 4.77 0.00 2.79 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 82 A 8.52 5.07 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 83 G 8.64 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 84 D 9.12 4.67 0.00 2.81 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 85 V 7.82 5.49 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 0.88 0.00 0.00 0.92 0.00 0.00 86 V 8.06 4.84 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 -0.20 0.00 0.00 0.76 0.00 0.00 87 V 8.52 4.51 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 1.03 0.00 0.00 0.89 0.00 0.00 88 H 9.67 5.35 0.00 3.21 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.60 5.22 2.12 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 1.46 0.00 0.00 0.95 0.00 0.00 *91 L 8.52 4.64 0.00 1.78 1.59 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 3.97 0.00 2.17 2.32 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 93 A 7.62 3.16 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 94 V 7.37 3.56 2.22 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 1.25 0.00 0.00 1.03 0.00 0.00 95 R 8.30 3.63 0.00 1.70 1.86 0.00 3.05 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 96 D 7.45 4.19 0.00 2.48 2.30 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 97 Y 7.42 4.15 0.00 2.77 2.70 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 0.00 0.00 0.00 98 Y 7.57 3.75 0.00 2.69 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 99 D 8.23 4.27 0.00 2.88 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 0.00 100 I 7.04 3.75 1.96 0.00 0.00 0.56 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 0.65 0.73 0.00 0.00 101 E 7.67 3.98 0.00 2.14 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 2.32 2.28 0.00 102 A 7.98 4.73 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 0.00 103 L 6.98 3.65 0.00 1.50 0.98 0.60 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.92 4.86 0.00 3.35 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 0.00 105 G 8.24 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 0.00 0.00 0.00 106 G 8.22 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 0.00 0.00 0.00 0.00 107 Q 8.44 4.77 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 108 K 8.42 4.46 0.00 1.82 1.92 0.00 1.47 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 109 P 0.00 4.34 0.00 2.31 2.10 0.00 3.86 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 110 S 8.57 4.19 0.00 3.87 3.87 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 0.00 111 F 8.96 4.62 0.00 2.87 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 0.00 112 A 8.79 3.48 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 0.00 113 V 6.07 3.98 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 0.78 0.00 0.00 0.73 0.00 0.00 114 G 6.42 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.53 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 0.00 116 A 8.13 4.14 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 0.00 117 K 7.50 4.65 0.00 1.73 1.71 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.34 7.81 118 P 0.00 4.07 0.00 0.49 1.41 0.00 3.52 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.52 0.00 119 W 7.73 4.71 0.00 3.43 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 0.00 120 S 7.63 4.43 0.00 3.82 3.87 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 * Residues marked with a * may have inaccurate shift predictions.