NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2827 8.2644 123.5821 51.5379 20.1177 176.3592 3 D 4.2766 8.6241 122.3681 52.8292 41.7182 174.1040 4 E 4.1086 9.1581 125.2987 58.9443 30.4932 178.4603 5 A 3.9917 8.2855 122.4869 55.3695 18.2440 179.6309 6 L 3.9245 7.9798 117.2137 57.8696 41.6769 179.3230 7 F 4.0697 8.2379 120.0996 61.3992 39.2656 176.9878 8 L 3.7971 8.3492 118.8524 57.7445 41.3980 179.5623 9 L 3.9405 8.0071 118.9908 57.4582 41.4628 179.2823 10 L 3.8094 7.9743 120.5401 58.2127 41.9968 178.4149 11 H 3.5642 7.8277 118.3783 59.2058 29.6639 176.6006 12 N 4.3702 8.1679 118.8460 56.8160 38.7587 176.3919 13 E 3.8759 8.5733 121.0756 59.3743 29.6924 178.7274 14 M 3.9070 8.2250 119.2752 58.2550 31.7874 178.9646 15 V 3.4264 7.4966 117.5732 65.5589 31.7859 177.5665 16 S 4.6100 8.1673 111.6026 56.8619 63.9382 174.6901 17 G 3.6486 8.2819 109.4028 45.3259 0.0000 175.2774 18 V 3.2558 8.9475 119.2238 65.7213 31.7678 175.6456 19 Y 4.9787 7.4720 114.4807 57.4156 38.3612 175.4055 20 K 4.1453 7.8802 121.9506 55.7748 32.8042 176.5554 21 S 4.3365 8.5267 121.0666 58.0034 62.8385 173.7725 22 A 4.1200 9.5917 129.3509 52.6965 17.8505 176.9020 23 E 3.8137 8.0777 114.7383 57.6252 27.4625 176.1158 24 Q 4.0086 8.9746 122.5043 57.8943 29.5669 175.6940 25 G 3.9660 7.3021 104.2713 44.4924 0.0000 172.8835 26 E 3.9899 8.1205 117.7592 59.2170 29.1571 179.7524 27 V 3.5412 7.6770 117.9473 65.8550 31.4904 177.5253 28 E 3.8996 8.0340 117.1440 59.3500 29.6826 177.7721 29 N 4.5476 7.9340 115.2136 56.4413 38.9723 177.0880 30 G 3.9212 8.5275 107.0215 47.9332 0.0000 176.7835 31 R 4.1163 8.0751 118.1990 56.4236 29.8463 178.7654 *33 I 4.0982 7.6938 121.2880 61.8588 39.3063 178.3358 34 T 3.8974 7.9562 116.8131 66.3724 68.1427 176.9556 35 K 3.7456 7.8779 120.4796 59.3496 31.9856 179.3667 36 L 4.1190 7.6179 118.6303 57.7854 41.1720 179.0767 37 E 4.5034 8.1748 120.5501 58.9199 29.6136 178.4741 38 N 4.3833 8.6784 116.8808 56.6661 38.6347 177.1458 39 M 4.2680 8.3094 120.1076 58.5403 32.0402 179.0643 40 G 2.6117 8.0729 105.6946 47.3054 0.0000 175.3092 41 F 4.1627 8.4141 123.3671 61.2714 39.3351 177.5629 42 R 4.0653 8.1064 117.5997 59.2960 29.8354 179.1860 43 V 3.7603 7.9821 118.2243 65.6975 31.5078 178.4201 44 G 3.6389 8.2343 105.7710 47.9356 0.0000 175.3528 45 Q 3.9628 7.5963 121.4337 58.8650 28.8402 180.1393 46 G 3.6437 8.1028 106.1491 47.5117 0.0000 175.8399 47 L 4.2381 8.3525 121.6460 57.6745 41.6959 179.6072 48 I 3.9113 7.9594 119.6112 64.5857 36.9106 177.9888 49 E 3.9285 7.9041 117.9183 59.6582 29.3958 179.4823 50 R 3.8095 7.5725 116.8267 58.7421 30.2063 177.2357 51 F 4.9349 7.8124 113.7871 57.4468 39.8909 177.1255 52 T 4.8764 7.6550 115.3311 63.1118 70.4373 173.2952 53 K 4.3526 7.8631 118.5068 56.6482 33.0917 177.1208 54 D 4.7442 7.5350 117.5360 53.2403 39.7238 177.7332 55 T 4.0557 7.4511 115.7940 66.0981 69.4554 176.8389 56 A 4.0485 7.9112 123.7935 54.5255 18.5134 178.0235 57 R 4.3117 6.9995 108.9917 56.2031 29.4724 177.6194 58 F 4.3348 7.6623 118.4878 60.5574 39.8485 176.1808 59 K 3.8496 8.6993 118.2621 56.3692 30.4402 172.3871 60 D 5.3767 7.3125 111.6034 50.9886 41.7854 177.4659 61 E 3.8262 8.9708 122.4087 59.9183 29.4346 179.3290 62 L 4.0687 7.9823 118.0703 57.9413 41.6234 179.1525 63 D 4.4353 8.3625 118.5541 57.3845 40.7700 178.9268 64 I 3.2059 7.5589 120.3029 64.5339 37.0675 178.4792 65 M 3.8766 8.2104 119.9229 57.9878 31.4778 178.9595 66 K 3.9430 8.1810 118.9450 59.3353 32.2185 179.0580 67 F 4.1825 8.4813 121.1682 61.3834 39.3220 177.0897 68 I 3.6026 7.7995 119.3539 64.8026 36.8618 178.2879 69 C 4.1681 8.3197 119.7550 62.7403 27.7721 174.8559 70 K 4.5501 7.7417 123.0716 58.5033 33.2305 181.8412 71 D 4.4284 7.4278 118.1520 57.0087 41.2407 178.8316 72 F 3.8905 7.5627 121.0662 61.0392 39.3967 176.9953 73 W 4.0652 8.4278 128.0332 60.9196 30.4854 178.0549 74 T 4.1145 7.8031 116.7162 66.1795 67.6011 176.8518 75 T 3.4623 7.5068 117.1680 66.3675 68.4794 176.3485 76 V 3.1206 6.7210 118.1198 64.3338 31.5703 176.5998 77 F 4.6188 7.8654 114.5765 56.3871 39.8058 176.0544 78 K 4.2445 8.4487 118.6803 56.5430 29.5822 175.0315 79 K 4.4979 7.5023 116.8399 56.3942 35.3972 174.7231 80 Q 4.5936 8.3678 119.0739 54.5037 30.0999 175.7362 81 I 3.6863 7.9574 113.6450 61.1753 37.7805 175.9223 82 D 4.6452 8.9192 123.4967 56.5253 41.9368 177.0161 83 N 4.9292 7.8190 114.9224 51.6676 43.3422 173.1659 84 L 5.0880 8.5678 125.4496 53.4633 43.9379 175.4818 85 R 4.8428 8.8839 124.8915 54.9063 33.8643 174.6111 86 T 4.8457 8.1091 114.6125 60.9177 70.2975 173.1738 87 N 4.4944 8.2907 122.1698 52.4846 38.0113 175.1412 88 H 4.1002 7.7219 114.7708 57.0685 26.6578 174.8038 89 Q 4.4975 8.6177 116.3697 56.0481 30.1466 176.3093 90 G 4.0935 8.5113 108.2469 45.0167 0.0000 173.7499 91 I 4.8773 7.6299 120.7108 60.0809 39.3090 174.3665 92 Y 5.0808 9.2215 124.0266 56.0936 42.1159 174.5127 93 V 4.8151 9.0672 123.2685 61.1436 34.4398 174.0918 94 L 4.8786 8.9681 128.6540 53.1955 43.7620 175.1128 95 Q 4.7928 9.0872 127.0424 54.6247 30.4559 173.6420 96 D 5.2330 8.9853 126.9968 52.6134 42.7432 176.5876 97 N 4.5062 10.0413 125.3404 55.5374 38.8780 175.7928 98 K 4.5352 7.7367 117.1263 53.9504 32.6058 173.6051 99 F 4.8305 8.9810 123.3849 57.1349 39.8830 176.6592 100 R 3.8935 7.8115 127.4826 58.6426 30.0719 177.3421 101 L 4.2879 6.2328 115.3004 54.7458 42.4791 177.0276 102 L 4.5907 7.4129 120.4561 54.0434 40.5756 176.5488 103 T 4.5670 7.2080 111.8017 63.3811 71.4156 175.7545 104 Q 3.9852 7.9666 117.9933 57.4374 28.6057 176.2242 *111 Y 4.4415 7.2065 118.9736 56.5502 40.5333 172.6152 112 L 3.6355 8.2546 130.3513 54.5202 41.9696 177.2434 113 E 3.9307 8.1497 123.2116 59.7635 29.7645 179.1772 114 H 4.9487 7.7958 113.6184 55.9520 29.1331 176.9733 115 A 4.2783 7.8577 125.4881 55.6881 18.0096 180.6906 116 S 4.2669 8.2030 111.9355 61.2140 63.1437 176.4904 117 K 4.0142 8.6829 122.9252 59.6016 31.5573 177.8831 118 Y 4.4632 8.0297 113.9613 59.1329 38.2486 176.5940 119 L 4.8561 8.0217 119.6733 55.5986 42.6429 178.5125 120 A 4.1191 7.9770 121.5155 55.1214 18.2876 179.0957 121 F 4.4297 8.6299 118.7658 62.2746 39.4060 177.4240 122 T 4.1230 8.4655 114.5893 66.6850 68.4215 176.4382 123 C 4.4993 8.7542 119.1628 62.8477 28.1209 176.4616 124 G 3.6581 8.0326 106.8653 47.1159 0.0000 175.0194 125 L 4.0403 7.9385 123.3176 58.2587 41.9347 179.3624 126 I 3.6645 7.8518 119.1479 64.4073 37.0523 178.2844 127 R 4.0391 8.1870 119.6640 59.6582 29.9248 178.8037 128 G 2.7718 8.8449 105.8495 47.1794 0.0000 175.9124 129 G 3.2900 7.9948 108.0655 47.5773 0.0000 175.8169 130 L 3.9657 7.9450 121.4727 57.1633 41.7687 179.1910 131 S 4.3178 8.1966 114.9281 60.9897 62.1370 176.0123 132 N 4.5439 7.9612 116.4717 54.8848 38.3386 176.2573 133 L 4.5329 7.0346 117.8742 54.1934 42.0780 177.0162 134 G 3.9871 7.9116 106.9439 44.8055 0.0000 173.3879 135 I 4.4795 8.1742 121.6799 59.1912 39.8385 174.9421 136 K 4.5781 8.6536 127.1598 55.9148 33.4120 176.1494 137 S 5.1139 8.5513 117.6833 57.1324 66.5842 172.9218 138 I 4.5063 8.7560 122.0619 59.6477 39.2971 174.7972 139 V 5.0054 8.5547 126.8127 61.3721 33.6880 174.3974 140 T 4.9378 8.9742 117.1797 60.1835 72.5362 172.3002 141 A 4.9697 8.1899 121.3215 50.8709 22.0775 175.3582 142 E 4.7024 8.8169 117.8385 54.4255 33.8501 175.0874 143 V 4.1667 8.2483 121.2074 61.3282 31.8693 176.1446 144 S 4.2331 8.4460 120.4823 60.6099 63.6154 174.7114 145 S 4.3395 7.7480 115.4081 56.8397 62.7860 171.6412 146 M 4.0016 8.3089 124.5776 55.1799 32.5704 174.1313 147 P 4.6462 0.0000 0.0000 62.5813 32.1356 174.9808 148 A 5.1725 8.9256 122.2154 49.6548 21.2730 175.5199 149 C 5.3777 7.2615 127.5069 59.8879 31.1161 172.8134 150 K 5.0267 8.4169 125.5332 54.3073 35.0942 175.2112 151 F 4.9713 9.2452 123.7116 55.8448 41.3464 174.3270 152 Q 4.8829 9.2932 125.9908 54.6348 30.9030 174.2191 153 V 4.6443 9.0556 127.6961 61.6624 33.4098 173.8577 154 M 4.9188 8.9737 129.7151 54.3129 33.6271 174.7921 155 I 4.6693 8.5203 128.1248 60.6188 38.4503 175.7649 156 Q 4.3909 8.9882 126.4403 55.3413 29.1547 176.7709 157 K 3.9831 8.8708 124.0610 58.9462 32.6828 177.8400 *158 L 4.1415 7.7844 123.7942 54.3876 41.5304 182.0019 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 A 8.26 4.28 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 3 D 8.62 4.28 0.00 2.84 2.58 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 4 E 9.16 4.11 0.00 2.26 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 2.34 2.38 0.00 5 A 8.29 3.99 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 6 L 7.98 3.92 0.00 1.96 1.75 0.93 1.01 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 7 F 8.24 4.07 0.00 3.07 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 8 L 8.35 3.80 0.00 1.83 1.68 1.02 0.61 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 9 L 8.01 3.94 0.00 1.66 1.67 0.90 0.38 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 10 L 7.97 3.81 0.00 1.78 1.40 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 H 7.83 3.56 0.00 2.27 3.02 0.00 5.65 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 12 N 8.17 4.37 0.00 3.01 2.99 0.00 0.00 6.94 7.35 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 13 E 8.57 3.88 0.00 2.10 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 2.24 2.30 0.00 14 M 8.22 3.91 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.47 0.00 15 V 7.50 3.43 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 -0.21 0.00 0.00 0.55 0.00 0.00 16 S 8.17 4.61 0.00 4.11 4.09 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 17 G 8.28 3.65 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 0.00 18 V 8.95 3.26 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 0.34 0.00 0.00 0.51 0.00 0.00 19 Y 7.47 4.98 0.00 3.11 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 20 K 7.88 4.15 0.00 1.83 1.68 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.29 7.81 21 S 8.53 4.34 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.59 4.12 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 23 E 8.08 3.81 0.00 2.15 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 2.42 2.37 0.00 24 Q 8.97 4.01 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 25 G 7.30 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 0.00 0.00 0.00 26 E 8.12 3.99 0.00 2.02 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 2.40 2.37 0.00 27 V 7.68 3.54 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 1.12 0.00 0.00 0.93 0.00 0.00 28 E 8.03 3.90 0.00 2.00 2.09 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 2.30 2.42 0.00 29 N 7.93 4.55 0.00 2.88 2.89 0.00 0.00 7.07 7.70 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 30 G 8.53 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 31 R 8.08 4.12 0.00 1.97 1.94 0.00 3.15 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 *33 I 7.69 4.10 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 0.93 0.00 0.00 34 T 7.96 3.90 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 1.19 0.00 0.00 35 K 7.88 3.75 0.00 1.21 0.74 0.00 1.39 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.41 7.81 36 L 7.62 4.12 0.00 1.91 1.89 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.17 4.50 0.00 2.19 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 2.62 2.42 0.00 38 N 8.68 4.38 0.00 2.93 2.86 0.00 0.00 7.06 7.62 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 39 M 8.31 4.27 0.00 2.45 2.62 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.71 0.00 40 G 8.07 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 0.00 0.00 0.00 41 F 8.41 4.16 0.00 3.13 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 42 R 8.11 4.07 0.00 2.22 2.02 0.00 3.37 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 43 V 7.98 3.76 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 1.18 0.00 0.00 1.24 0.00 0.00 44 G 8.23 3.64 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 0.00 0.00 0.00 45 Q 7.60 3.96 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 1.80 0.00 46 G 8.10 3.64 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 0.00 0.00 0.00 47 L 8.35 4.24 0.00 2.07 1.89 0.55 1.03 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 48 I 7.96 3.91 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.47 0.92 0.00 0.00 49 E 7.90 3.93 0.00 2.08 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 2.33 2.45 0.00 50 R 7.57 3.81 0.00 1.59 1.58 0.00 2.85 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 51 F 7.81 4.93 0.00 3.28 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 52 T 7.65 4.88 4.45 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 1.09 0.00 0.00 53 K 7.86 4.35 0.00 1.69 1.75 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.43 7.81 54 D 7.54 4.74 0.00 2.52 2.42 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 55 T 7.45 4.06 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 1.23 0.00 0.00 56 A 7.91 4.05 1.22 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 0.00 0.00 0.00 57 R 7.00 4.31 0.00 1.72 1.88 0.00 3.09 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 58 F 7.66 4.33 0.00 3.09 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 59 K 8.70 3.85 0.00 1.83 1.81 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 60 D 7.31 5.38 0.00 3.12 3.02 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 61 E 8.97 3.83 0.00 2.10 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 2.46 2.42 0.00 62 L 7.98 4.07 0.00 1.77 1.77 1.11 1.30 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 63 D 8.36 4.44 0.00 3.06 2.91 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 0.00 0.00 0.00 64 I 7.56 3.21 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.88 0.62 0.00 0.00 65 M 8.21 3.88 0.00 1.50 1.70 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.18 0.00 66 K 8.18 3.94 0.00 2.03 1.92 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.64 7.81 67 F 8.48 4.18 0.00 3.12 2.89 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 68 I 7.80 3.60 1.95 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.76 0.98 0.00 0.00 69 C 8.32 4.17 0.00 3.12 2.88 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 70 K 7.74 4.55 0.00 1.68 1.69 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.31 7.81 71 D 7.43 4.43 0.00 2.01 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 72 F 7.56 3.89 0.00 2.57 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 73 W 8.43 4.07 0.00 3.75 3.31 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 74 T 7.80 4.11 4.34 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 1.17 0.00 0.00 75 T 7.51 3.46 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 0.56 0.00 0.00 76 V 6.72 3.12 0.70 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 -0.73 0.00 0.00 0.01 0.00 0.00 77 F 7.87 4.62 0.00 2.96 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 78 K 8.45 4.24 0.00 1.90 1.92 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.35 7.81 79 K 7.50 4.50 0.00 2.04 1.96 0.00 1.42 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.72 1.69 7.81 80 Q 8.37 4.59 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 81 I 7.96 3.69 1.57 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.37 -0.30 0.00 0.00 82 D 8.92 4.65 0.00 2.61 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 83 N 7.82 4.93 0.00 2.63 2.62 0.00 0.00 6.64 6.74 0.00 0.00 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 L 8.57 5.09 0.00 1.57 1.54 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.88 4.84 0.00 1.74 1.72 0.00 3.14 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 86 T 8.11 4.85 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 0.85 0.00 0.00 87 N 8.29 4.49 0.00 2.81 2.81 0.00 0.00 6.97 7.18 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 88 H 7.72 4.10 0.00 3.33 3.38 0.00 5.60 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 89 Q 8.62 4.50 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 90 G 8.51 4.09 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 0.00 0.00 0.00 91 I 7.63 4.88 1.90 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 1.34 1.10 0.89 0.00 0.00 92 Y 9.22 5.08 0.00 2.86 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 93 V 9.07 4.82 2.07 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 1.05 0.00 0.00 0.92 0.00 0.00 94 L 8.97 4.88 0.00 1.58 1.18 0.92 0.72 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 95 Q 9.09 4.79 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 96 D 8.99 5.23 0.00 2.85 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 97 N 10.04 4.51 0.00 2.85 2.89 0.00 0.00 6.85 7.95 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 98 K 7.74 4.54 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 99 F 8.98 4.83 0.00 3.21 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 0.00 100 R 7.81 3.89 0.00 1.72 1.96 0.00 3.42 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 101 L 6.23 4.29 0.00 1.45 1.73 1.06 1.01 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 0.00 102 L 7.41 4.59 0.00 1.85 1.64 1.12 0.93 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 0.00 103 T 7.21 4.57 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 1.18 0.00 0.00 104 Q 7.97 3.99 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 *111 Y 7.21 4.44 0.00 3.05 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 0.00 112 L 8.25 3.64 0.00 1.66 1.56 0.41 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.15 3.93 0.00 1.53 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 2.20 2.07 0.00 114 H 7.80 4.95 0.00 3.38 3.34 0.00 5.65 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 0.00 115 A 7.86 4.28 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 0.00 116 S 8.20 4.27 0.00 4.09 4.17 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 0.00 117 K 8.68 4.01 0.00 1.91 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.54 7.81 118 Y 8.03 4.46 0.00 3.36 3.27 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 0.00 119 L 8.02 4.86 0.00 1.91 1.68 0.72 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.98 4.12 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 0.00 121 F 8.63 4.43 0.00 3.31 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 0.00 122 T 8.47 4.12 4.89 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 1.17 0.00 0.00 123 C 8.75 4.50 0.00 3.37 3.25 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 0.00 124 G 8.03 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 0.00 0.00 0.00 125 L 7.94 4.04 0.00 1.90 1.88 0.68 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.85 3.66 2.13 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 1.69 0.75 0.93 0.00 0.00 127 R 8.19 4.04 0.00 2.11 2.30 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 128 G 8.84 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 0.00 0.00 0.00 129 G 7.99 3.29 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 0.00 130 L 7.94 3.97 0.00 1.79 1.75 0.85 0.49 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 0.00 131 S 8.20 4.32 0.00 4.20 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 0.00 132 N 7.96 4.54 0.00 2.64 2.81 0.00 0.00 7.05 7.19 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 0.00 133 L 7.03 4.53 0.00 1.58 1.46 0.43 0.90 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 0.00 134 G 7.91 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 0.00 135 I 8.17 4.48 1.82 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 1.16 1.43 0.90 0.00 0.00 136 K 8.65 4.58 0.00 1.73 1.74 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.46 7.81 137 S 8.55 5.11 0.00 3.91 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 0.00 138 I 8.76 4.51 1.90 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 1.12 0.78 0.93 0.00 0.00 139 V 8.55 5.01 2.34 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 1.04 0.00 0.00 1.01 0.00 0.00 140 T 8.97 4.94 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 1.24 0.00 0.00 141 A 8.19 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.82 4.70 0.00 1.91 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 2.09 2.18 0.00 143 V 8.25 4.17 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 0.76 0.00 0.00 0.98 0.00 0.00 144 S 8.45 4.23 0.00 4.01 3.98 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 0.00 0.00 0.00 0.00 145 S 7.75 4.34 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 M 8.31 4.00 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 147 P 0.00 4.65 0.00 2.31 2.27 0.00 3.74 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 2.24 1.98 0.00 148 A 8.93 5.17 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 0.00 149 C 7.26 5.38 0.00 3.31 2.83 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 0.00 150 K 8.42 5.03 0.00 1.52 1.62 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.31 7.81 151 F 9.25 4.97 0.00 2.95 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 0.00 152 Q 9.29 4.88 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 153 V 9.06 4.64 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 0.99 0.00 0.00 0.99 0.00 0.00 154 M 8.97 4.92 0.00 2.16 1.94 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 2.54 2.53 0.00 155 I 8.52 4.67 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 1.01 0.00 0.00 156 Q 8.99 4.39 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 157 K 8.87 3.98 0.00 1.75 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 *158 L 7.78 4.14 0.00 1.41 1.48 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.