NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3933 8.1233 123.5871 52.3616 20.9607 179.0123 10 N 4.1356 8.1783 113.1728 56.2746 38.5295 175.9299 11 S 4.2304 8.8661 117.3080 61.7493 63.3535 176.5518 12 T 3.9075 7.7197 118.0934 66.5229 68.3281 176.8386 13 V 3.3507 7.7100 120.0746 66.0262 31.5046 178.0289 14 L 3.8240 8.1804 119.1650 57.7523 41.2470 179.5920 15 S 4.1665 8.1807 113.1140 61.3625 62.1719 175.9515 16 F 4.5688 7.9968 122.1692 61.7047 39.3028 176.5839 17 C 3.8852 8.2405 116.0706 62.2089 27.6990 175.7474 18 A 3.6409 7.8906 123.1889 54.6167 17.9067 178.1155 19 F 4.5611 7.3244 109.7243 57.2551 38.3380 176.2636 20 A 4.1914 7.3844 125.1447 51.6766 18.7158 179.3242 21 V 3.8023 8.2412 113.6700 63.5744 32.0646 176.3582 22 D 4.6658 7.3599 118.0151 50.2101 41.4490 173.6257 23 P 4.1834 0.0000 0.0000 65.4808 31.5474 177.3428 24 A 3.9753 7.9916 118.5119 55.2408 18.2149 179.4472 25 K 3.9159 8.4861 117.8119 59.5219 32.2499 178.9863 26 A 4.0073 8.1368 121.2251 55.1790 18.1370 178.9695 27 Y 4.2559 8.2063 118.1974 60.7503 38.8260 178.1865 28 K 3.7463 8.2207 120.5219 59.7349 32.1187 178.5627 29 D 4.3723 8.2431 118.0796 57.2614 40.9572 177.9942 30 Y 4.2204 8.2590 120.3435 60.5920 38.8867 177.7197 31 L 3.6255 8.1194 119.8950 57.7329 41.5772 179.2858 32 A 4.1485 7.7924 118.9346 54.4253 18.1722 178.7159 33 S 4.6250 7.5349 112.1510 57.9739 63.4391 174.9597 34 G 3.7740 8.3253 109.5070 45.3204 0.0000 174.7597 35 G 2.5731 6.9352 107.4966 44.6543 0.0000 173.4109 36 Q 4.3220 8.3823 122.0363 54.1106 30.0769 174.1441 37 P 4.7026 0.0000 0.0000 62.4795 32.0553 176.3795 38 I 3.9757 8.4910 122.7933 61.9251 37.6968 176.1923 39 T 4.7647 8.5281 116.3415 61.5522 70.7887 174.0219 40 N 4.2791 8.7800 118.2332 55.1203 36.0056 174.1073 41 C 4.4690 8.0657 114.2636 59.4686 29.4401 173.4163 42 V 4.3180 8.2157 115.9251 60.4370 32.7967 175.2779 43 K 4.5843 8.5975 124.7475 55.2650 33.4824 176.2079 44 M 4.3599 8.5161 124.3227 54.4248 33.5075 176.0176 45 L 4.3190 8.3352 124.0257 53.8246 42.2226 175.1705 46 C 4.8748 8.0608 119.7513 56.0724 33.0424 173.9733 47 T 3.8427 8.3854 113.7594 64.2477 66.8460 174.1699 48 H 4.3064 8.2178 115.4778 57.1571 25.5420 174.6648 49 T 4.6305 7.8167 106.8820 61.3633 69.1887 174.0797 50 G 3.9743 7.9865 112.6845 45.4125 0.0000 174.5741 51 T 3.8683 9.9786 109.5564 62.8653 68.7213 175.9758 52 G 4.4600 8.4580 109.7996 45.1943 0.0000 173.7314 53 Q 4.1112 7.6498 118.0530 55.6120 29.5937 176.5717 54 A 3.9240 8.6822 122.5438 54.6491 19.0243 177.6632 55 I 5.1204 7.3998 115.1923 59.8508 40.2700 174.7402 56 T 4.8283 9.0062 116.5852 59.8827 72.3421 175.3876 57 V 3.9477 8.6313 114.4065 63.2591 31.9846 176.3797 58 T 4.7056 7.5207 107.9629 58.5057 71.8492 171.7158 59 P 4.2607 0.0000 0.0000 63.3492 31.7654 176.4383 60 E 4.6620 9.4081 120.6352 55.9250 31.4082 175.5920 61 A 4.5695 7.6904 120.7876 52.3156 19.3454 178.1396 62 N 5.5675 8.4001 117.9201 51.5104 39.9463 175.0818 63 M 4.3076 8.6443 116.3254 57.7153 32.2296 176.5936 64 D 4.8616 9.9657 119.1587 54.0300 41.7740 175.2330 65 Q 5.2260 8.0674 117.8197 54.2824 33.7828 173.7119 66 E 4.9758 9.4169 119.4059 54.8264 33.1149 175.3770 67 S 5.3227 8.2585 117.9223 57.0836 65.4593 173.2438 68 F 5.2923 9.2936 122.4019 55.1836 43.1736 174.7170 69 G 3.8494 9.3990 109.4465 46.2969 0.0000 174.6397 70 G 3.8511 9.1666 112.9336 48.0892 0.0000 175.7950 71 A 4.0170 8.0548 123.2927 54.9033 18.0363 179.7105 72 S 4.1417 7.7855 112.9351 61.1327 63.1681 175.5364 73 C 4.5537 8.1169 117.5851 58.4885 28.3708 172.4569 74 C 4.4817 7.2966 122.9878 57.7519 31.6152 173.6171 75 L 3.6535 8.3442 129.5784 58.4750 41.5621 178.4799 76 Y 3.7738 7.1140 115.9355 61.0067 37.8479 177.9102 77 C 4.1196 7.9298 117.1489 62.9827 28.1436 176.2731 78 R 3.7996 8.1175 118.6337 58.9991 29.6869 178.1587 79 C 4.1564 7.9578 114.3934 59.4653 28.4946 173.3002 80 H 4.0527 7.6968 116.8638 56.8297 26.2242 174.3448 81 I 4.5350 7.1493 110.5760 58.3916 40.2044 174.8427 82 D 4.4022 8.2981 120.4712 54.8017 41.1739 176.3564 83 H 3.9813 8.2075 118.8619 54.4883 29.9783 173.8878 84 P 4.3392 0.0000 0.0000 65.0124 33.0238 177.2501 85 N 4.1121 8.1121 112.5273 55.4820 38.9908 176.1006 *89 F 4.6705 8.7567 123.7030 58.3367 41.0206 176.3823 90 C 4.6635 9.3712 115.7309 57.1825 33.5223 172.5146 91 D 4.5777 8.7864 126.2937 55.2671 39.9103 177.3813 92 L 4.1937 7.9104 120.1608 56.7017 42.2817 177.0561 93 K 3.9069 7.9702 119.1255 58.1431 32.2204 176.7132 94 G 3.8729 8.9858 114.2853 45.0509 0.0000 172.3244 95 K 4.4840 7.8320 118.9386 54.7439 35.9499 174.1417 96 Y 4.9890 8.8131 118.1744 56.4412 40.9191 175.3999 97 V 4.8191 8.8318 124.0602 61.5216 33.6723 174.3519 98 Q 5.0462 9.3135 128.3873 55.1091 29.7282 175.2858 99 I 4.1356 8.9777 125.5266 58.2574 40.6200 173.8170 100 P 4.5894 0.0000 0.0000 62.8783 31.9723 177.2997 101 T 3.6081 8.9749 121.2003 67.1497 68.5707 176.2522 102 T 4.0653 7.8715 109.2744 63.6552 69.1961 174.4945 103 C 4.6536 8.6128 119.4701 59.3217 29.0365 174.9778 104 A 4.2389 7.6702 121.9474 53.4407 17.7100 178.2988 105 N 4.6358 7.8780 113.0399 54.1498 38.8712 175.3159 106 D 4.7604 8.0882 118.8053 51.3889 41.8823 173.3692 107 P 4.0031 0.0000 0.0000 65.3028 31.5803 178.4008 108 V 4.3683 7.0831 117.8997 65.6710 31.5004 178.2703 109 G 4.1266 8.4125 106.1557 46.9865 0.0000 175.2935 110 F 3.7547 8.5182 123.7404 61.4316 39.1908 177.4167 111 T 3.8960 7.5301 107.8563 64.3040 68.6434 176.4588 112 L 4.1686 7.2132 121.1669 57.9298 41.8689 179.3238 113 R 4.0505 7.7167 115.7340 56.9888 30.1546 176.0251 114 N 5.0194 6.9816 114.4074 51.3884 41.8213 173.5453 115 T 4.9273 8.3199 114.8430 61.9405 72.2245 173.6594 116 V 4.1360 8.4058 125.6006 62.1871 32.9658 174.9302 117 C 4.4661 9.2015 129.0844 59.3262 31.8569 174.6517 118 T 3.9338 8.7419 116.6052 64.0477 68.4891 175.4093 119 V 3.8265 7.4089 122.1406 64.9295 32.0146 176.2848 120 C 4.2290 7.8974 114.4346 58.2869 30.4943 174.7193 121 G 3.8113 8.3204 109.2164 45.8785 0.0000 173.0775 122 M 4.6737 7.3415 118.9458 52.7685 34.3464 175.3634 123 W 4.7484 8.4875 120.4986 56.5457 29.6559 175.5750 124 K 4.2308 9.2992 125.4621 60.2466 31.3006 176.5043 125 G 4.0230 9.5136 115.2745 45.6856 0.0000 172.0528 126 Y 4.9185 8.8823 117.0292 55.9734 38.8611 175.0614 127 G 3.8830 8.6701 116.2625 46.1477 0.0000 173.7543 128 C 3.9410 8.0636 120.1813 61.1554 32.0451 173.4592 129 S 4.0786 8.6910 120.5120 59.1805 62.6195 171.8916 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 9 A 8.12 4.39 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 10 N 8.18 4.14 0.00 2.82 2.85 0.00 0.00 7.08 6.68 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 11 S 8.87 4.23 0.00 3.88 3.94 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 12 T 7.72 3.91 4.44 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 1.25 0.00 0.00 13 V 7.71 3.35 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 0.37 0.00 0.00 0.82 0.00 0.00 14 L 8.18 3.82 0.00 1.68 1.59 0.87 0.45 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 15 S 8.18 4.17 0.00 4.14 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 16 F 8.00 4.57 0.00 3.02 3.21 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 17 C 8.24 3.89 0.00 2.79 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 18 A 7.89 3.64 0.81 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 0.00 0.00 19 F 7.32 4.56 0.00 3.12 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 20 A 7.38 4.19 0.98 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 0.00 0.00 21 V 8.24 3.80 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.36 4.67 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.07 1.90 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 24 A 7.99 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.49 3.92 0.00 1.98 2.00 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.47 7.81 26 A 8.14 4.01 0.95 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 27 Y 8.21 4.26 0.00 2.92 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 28 K 8.22 3.75 0.00 1.85 2.02 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 D 8.24 4.37 0.00 2.97 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 30 Y 8.26 4.22 0.00 3.35 3.33 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 31 L 8.12 3.63 0.00 1.50 1.52 0.46 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.79 4.15 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 S 7.53 4.62 0.00 3.82 3.76 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 34 G 8.33 3.77 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 35 G 6.94 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 0.00 0.00 0.00 36 Q 8.38 4.32 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 37 P 0.00 4.70 0.00 2.24 2.27 0.00 3.80 0.00 0.00 3.69 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 38 I 8.49 3.98 1.73 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.31 0.84 0.00 0.00 39 T 8.53 4.76 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 40 N 8.78 4.28 0.00 2.90 2.97 0.00 0.00 6.79 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 41 C 8.07 4.47 0.00 3.00 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 42 V 8.22 4.32 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 0.75 0.00 0.00 1.04 0.00 0.00 43 K 8.60 4.58 0.00 1.53 1.52 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.65 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.13 7.81 44 M 8.52 4.36 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.78 0.00 45 L 8.34 4.32 0.00 1.55 1.56 0.90 0.83 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 46 C 8.06 4.87 0.00 2.93 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 47 T 8.39 3.84 4.21 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 1.19 0.00 0.00 48 H 8.22 4.31 0.00 3.36 3.43 0.00 5.70 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.82 4.63 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 50 G 7.99 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 51 T 9.98 3.87 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 1.28 0.00 0.00 52 G 8.46 4.46 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 0.00 0.00 0.00 53 Q 7.65 4.11 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 54 A 8.68 3.92 -0.19 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 55 I 7.40 5.12 1.78 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 1.44 0.44 0.92 0.00 0.00 56 T 9.01 4.83 4.29 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 1.22 0.00 0.00 57 V 8.63 3.95 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 0.77 0.00 0.00 0.97 0.00 0.00 58 T 7.52 4.71 4.11 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 0.00 0.00 1.22 0.00 0.00 59 P 0.00 4.26 0.00 1.81 1.79 0.00 3.22 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 0.00 60 E 9.41 4.66 0.00 1.94 1.86 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 2.45 2.39 0.00 61 A 7.69 4.57 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 62 N 8.40 5.57 0.00 2.97 3.01 0.00 0.00 6.11 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 63 M 8.64 4.31 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 64 D 9.97 4.86 0.00 2.84 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 65 Q 8.07 5.23 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 66 E 9.42 4.98 0.00 1.78 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 2.23 2.42 0.00 67 S 8.26 5.32 0.00 3.66 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 0.00 68 F 9.29 5.29 0.00 3.02 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 69 G 9.40 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 70 G 9.17 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 A 8.05 4.02 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 72 S 7.79 4.14 0.00 4.11 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 73 C 8.12 4.55 0.00 3.06 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 74 C 7.30 4.48 0.00 2.95 2.95 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 75 L 8.34 3.65 0.00 1.35 0.93 0.37 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.11 3.77 0.00 2.66 2.53 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 77 C 7.93 4.12 0.00 3.19 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 78 R 8.12 3.80 0.00 1.63 1.82 0.00 3.22 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 79 C 7.96 4.16 0.00 2.77 2.74 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 80 H 7.70 4.05 0.00 3.28 3.36 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.15 4.54 1.80 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 1.22 0.71 0.78 0.00 0.00 82 D 8.30 4.40 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.21 3.98 0.00 2.87 2.87 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.34 0.00 1.99 1.87 0.00 2.67 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.29 0.00 85 N 8.11 4.11 0.00 2.65 2.64 0.00 0.00 6.79 7.45 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 *89 F 8.76 4.67 0.00 2.92 2.28 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 90 C 9.37 4.66 0.00 2.15 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 91 D 8.79 4.58 0.00 2.84 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 92 L 7.91 4.19 0.00 1.78 1.80 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.97 3.91 0.00 1.77 1.86 0.00 1.90 0.00 0.00 2.02 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 94 G 8.99 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 0.00 0.00 0.00 95 K 7.83 4.48 0.00 1.81 1.78 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.36 7.81 96 Y 8.81 4.99 0.00 3.01 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 97 V 8.83 4.82 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 1.41 0.00 0.00 1.06 0.00 0.00 98 Q 9.31 5.05 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.36 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 99 I 8.98 4.14 1.95 0.00 0.00 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 0.76 0.77 0.29 0.00 0.00 100 P 0.00 4.59 0.00 1.70 1.93 0.00 2.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.96 0.00 101 T 8.97 3.61 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 1.21 0.00 0.00 102 T 7.87 4.07 4.28 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 1.25 0.00 0.00 103 C 8.61 4.65 0.00 2.38 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 0.00 104 A 7.67 4.24 1.46 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 0.00 0.00 105 N 7.88 4.64 0.00 2.84 2.96 0.00 0.00 5.82 8.06 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 0.00 106 D 8.09 4.76 0.00 2.75 2.55 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 0.00 107 P 0.00 4.00 0.00 1.66 1.10 0.00 3.45 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.46 0.00 108 V 7.08 4.37 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 0.54 0.00 0.00 0.75 0.00 0.00 109 G 8.41 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.52 3.75 0.00 3.03 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 0.00 111 T 7.53 3.90 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 112 L 7.21 4.17 0.00 1.93 1.80 0.97 0.93 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 0.00 113 R 7.72 4.05 0.00 1.51 1.81 0.00 3.01 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 114 N 6.98 5.02 0.00 1.62 2.44 0.00 0.00 6.75 7.51 0.00 0.00 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 T 8.32 4.93 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 116 V 8.41 4.14 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 0.48 0.00 0.00 0.27 0.00 0.00 117 C 9.20 4.47 0.00 3.03 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 0.00 118 T 8.74 3.93 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 1.21 0.00 0.00 119 V 7.41 3.83 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 0.85 0.00 0.00 0.93 0.00 0.00 120 C 7.90 4.23 0.00 3.12 3.04 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 0.00 0.00 0.00 121 G 8.32 3.81 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 0.00 0.00 0.00 122 M 7.34 4.67 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 123 W 8.49 4.75 0.00 3.71 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 0.00 124 K 9.30 4.23 0.00 2.02 1.88 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 125 G 9.51 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 0.00 126 Y 8.88 4.92 0.00 3.18 3.04 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 0.00 0.00 0.00 127 G 8.67 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 0.00 128 C 8.06 3.94 0.00 3.11 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 0.00 129 S 8.69 4.08 0.00 3.99 3.86 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 * Residues marked with a * may have inaccurate shift predictions.