NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.6673 8.3349 115.5504 58.3317 64.3990 172.6727 16 Q 4.4523 8.7998 121.4737 53.1576 32.7021 172.6661 17 N 5.1395 8.7177 120.6641 52.0325 42.1988 173.0222 18 F 5.0362 8.9439 123.7611 55.1392 43.4977 174.6736 19 L 4.6918 8.6950 120.0010 55.2897 42.5190 176.5313 20 F 4.8742 9.0848 122.8889 56.9350 42.9768 173.4936 21 G 4.0669 7.1191 110.8431 45.4033 0.0000 171.3336 22 C 4.4906 8.2226 114.6241 56.7614 33.4592 172.1868 23 E 4.6501 8.4090 119.9774 54.1777 31.9852 174.6880 24 L 5.0269 8.7465 126.4603 53.0979 45.5868 175.9533 25 K 4.3151 8.9451 120.6965 56.2022 35.6123 175.7144 26 A 3.9590 7.9068 121.5336 55.8498 18.0567 178.8615 27 D 4.5899 7.8837 111.9886 55.2117 41.7341 177.1659 28 K 4.3896 7.6445 120.1934 55.5264 33.0575 175.5696 29 K 4.4870 8.4224 123.9000 56.8843 33.4402 175.9848 30 E 5.3127 8.0590 118.8762 54.5224 33.3594 174.3403 31 Y 4.6905 9.3478 124.5268 55.7827 41.9384 173.9217 32 S 4.7539 8.0221 121.2279 56.5370 64.2593 172.6465 33 F 4.4725 9.0238 131.0576 56.6660 40.5998 174.6035 34 K 4.5060 7.5827 124.7463 54.4072 35.3913 176.8437 35 V 3.9369 7.9059 124.6342 62.6093 31.4298 175.9667 *37 D 4.4823 8.5761 118.7609 53.1674 42.2519 174.4987 38 D 4.5653 7.6481 115.6995 52.6642 41.4477 174.3519 39 E 4.3227 8.7045 116.9983 57.2413 29.9384 176.2025 40 N 5.0183 8.3444 119.3207 52.5409 40.4701 175.4762 41 E 4.4109 8.6342 119.8802 56.7190 31.2564 175.9055 42 H 5.5904 8.7874 119.4620 53.7833 32.4196 173.2954 43 Q 4.7214 9.0233 119.9060 54.3419 33.4990 173.6820 44 L 4.4965 8.8934 126.1211 54.0943 44.2390 175.3530 45 S 5.0647 8.9362 121.0098 56.1154 64.1539 172.4908 46 L 4.3040 9.1187 127.8932 55.1066 42.3398 176.5470 47 R 4.5054 9.7169 120.9847 57.4460 32.6870 175.6866 48 T 5.2122 7.8063 107.1689 59.7579 72.6484 172.1786 49 V 5.0866 8.6267 123.1079 61.2801 34.2173 174.5220 50 S 5.2120 9.0886 121.3088 56.7285 66.9125 172.7576 51 L 4.6894 8.7653 122.2893 53.6567 42.5980 177.2745 52 G 3.9775 9.0505 110.6624 45.9435 0.0000 174.4256 53 A 4.1318 8.8142 123.6503 54.5610 18.4441 178.8065 54 S 4.5818 7.9146 107.2334 57.8242 63.6604 174.1404 55 A 4.5676 7.6745 124.6776 51.4573 18.5826 177.9393 56 K 4.1009 8.3841 124.2043 56.6110 32.9197 177.2155 57 D 4.8743 8.3565 124.9749 53.3813 39.0394 174.0902 58 E 4.7060 7.7865 120.3853 54.5478 33.7091 174.0300 59 L 4.5586 8.4240 121.6168 55.4003 42.9561 175.7608 60 H 5.1718 9.5545 122.7553 53.9728 32.4531 172.9841 61 V 4.8149 8.8583 121.7440 61.1806 34.6056 174.1386 62 V 5.0124 8.7254 128.0503 61.1040 33.9248 174.1577 63 E 5.3121 9.3582 124.6032 54.4813 33.4829 174.1720 64 A 5.2111 8.7557 122.0067 50.1389 22.3507 174.8566 65 E 5.0600 9.1211 122.4342 54.4085 33.0539 175.4322 66 G 4.2884 8.3448 111.9121 46.4690 0.0000 171.6565 67 I 4.9387 8.4934 120.4497 60.3292 38.7876 175.9696 68 N 4.8231 8.7273 123.6927 51.5174 39.7020 175.2377 69 Y 4.0819 8.7055 118.9980 60.9038 38.8871 176.4296 70 E 3.8351 8.1461 115.9125 56.5868 29.4647 177.4647 71 G 3.9044 8.3045 107.8363 45.0301 0.0000 173.8696 72 K 4.2912 7.9414 120.1354 55.8866 33.5877 176.1081 73 T 4.6405 8.4972 120.0150 61.8310 68.0477 173.4243 74 I 4.7888 9.1979 121.9121 58.9982 41.7197 174.1390 75 K 5.2869 8.6137 121.3348 54.5159 34.7943 175.8779 76 I 4.7057 8.9106 117.8543 58.8260 41.0781 174.5249 77 A 4.4945 8.6557 126.9430 51.8158 18.2070 177.2732 78 L 4.2980 8.8946 123.3060 58.0085 42.3731 177.9223 79 A 4.5673 7.5857 116.8342 51.1076 22.5070 175.0887 80 S 5.2936 8.8158 116.6040 56.8122 65.4646 173.6229 81 L 5.0915 8.9219 124.0107 53.0320 46.1884 175.6184 82 K 4.9610 8.5198 120.6755 55.0867 35.4111 174.6069 83 P 4.2187 0.0000 0.0000 65.9385 31.2765 177.4731 84 S 4.4517 8.1578 108.8508 58.9762 63.5529 174.1608 85 V 4.1744 7.5299 118.6999 64.3693 33.3478 175.9745 86 Q 4.5559 8.3610 123.2291 54.8108 30.1839 172.0240 87 P 4.5661 0.0000 0.0000 64.3990 32.9226 176.2198 88 T 5.2081 7.7682 115.6728 61.7406 72.7344 173.3949 89 V 4.4115 8.8966 124.4776 61.1895 34.8720 173.9377 90 S 5.0871 8.7307 122.6658 57.2611 62.7263 173.6923 91 L 4.1410 9.4604 128.2106 54.7690 42.3189 178.0342 92 G 3.7091 8.4920 106.0355 46.1637 0.0000 173.6198 93 G 3.8196 8.3011 103.2985 46.3144 0.0000 175.9366 94 F 4.4771 8.3435 121.3171 57.6809 40.2028 174.8125 95 E 4.9667 8.8169 126.0785 55.9255 30.6309 176.4299 96 I 4.7010 9.0173 124.1665 59.8393 41.5044 174.5061 97 T 4.6654 8.6188 123.7094 62.1972 68.9803 173.3012 98 P 4.5133 0.0000 0.0000 61.8023 32.1880 174.2625 99 P 4.8565 0.0000 0.0000 62.8217 32.6213 175.5450 100 V 4.7214 8.6334 120.2559 61.6348 35.6204 173.4674 101 I 4.9814 8.6354 127.0644 59.6762 39.8702 174.4110 102 L 5.2189 8.8475 126.0605 53.0796 44.4135 175.5764 103 R 5.0573 8.8800 123.0787 54.5253 33.9892 173.7509 104 L 4.5264 8.9098 129.2551 54.9094 41.3587 176.0984 105 K 4.3646 9.1778 130.1856 58.9294 33.0175 177.0437 106 S 4.5263 8.1134 111.8913 58.4472 65.8387 175.4568 107 G 3.9850 8.9446 108.7196 45.4044 0.0000 173.7751 108 S 4.0533 8.8775 116.4652 59.9210 63.3033 176.1186 109 G 3.8315 8.2999 109.8529 43.2647 0.0000 170.3997 110 P 4.7766 0.0000 0.0000 62.8465 32.8859 175.5966 111 V 4.9771 8.6491 120.3115 61.4766 35.5240 173.6470 112 Y 5.1125 9.1547 123.0968 56.1399 41.6624 174.7099 113 V 5.0333 8.5376 122.5025 61.1650 34.8532 174.4715 114 S 5.0816 9.1944 121.0970 56.9041 66.7539 173.7613 115 G 4.1289 8.1550 106.2110 47.0098 0.0000 171.8866 116 Q 5.3726 8.3388 119.4779 54.3307 33.2060 174.5164 117 H 5.3095 9.5628 121.7818 54.7193 32.4977 172.3430 118 L 5.1295 9.2441 127.1318 53.3112 44.0396 176.1255 119 V 4.7683 8.9166 123.0693 61.1079 34.3345 173.5250 120 A 4.7647 8.6770 130.8612 50.2205 20.1473 177.2884 121 L 4.1112 8.5517 121.8331 55.2782 41.6947 177.1907 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 S 8.33 4.67 0.00 3.87 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 16 Q 8.80 4.45 0.00 1.90 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 17 N 8.72 5.14 0.00 2.54 2.46 0.00 0.00 6.81 7.02 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 18 F 8.94 5.04 0.00 3.15 2.96 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 0.00 0.00 0.00 19 L 8.70 4.69 0.00 1.61 1.65 0.95 0.76 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 20 F 9.08 4.87 0.00 3.07 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 21 G 7.12 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 0.00 0.00 0.00 22 C 8.22 4.49 0.00 2.46 1.68 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 23 E 8.41 4.65 0.00 1.66 1.63 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 1.79 1.47 0.00 24 L 8.75 5.03 0.00 1.47 1.47 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.95 4.32 0.00 1.81 1.83 0.00 1.35 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.45 7.81 26 A 7.91 3.96 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 27 D 7.88 4.59 0.00 2.67 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 28 K 7.64 4.39 0.00 1.75 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.54 7.81 29 K 8.42 4.49 0.00 1.76 1.82 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.70 1.46 7.81 30 E 8.06 5.31 0.00 1.80 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 2.21 2.27 0.00 31 Y 9.35 4.69 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 32 S 8.02 4.75 0.00 3.80 3.56 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 33 F 9.02 4.47 0.00 3.49 3.11 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 0.00 34 K 7.58 4.51 0.00 1.37 1.44 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.23 7.81 35 V 7.91 3.94 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 0.45 0.00 0.00 0.65 0.00 0.00 *37 D 8.58 4.48 0.00 2.47 2.64 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 38 D 7.65 4.57 0.00 2.79 2.65 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 39 E 8.70 4.32 0.00 1.99 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 2.29 2.28 0.00 40 N 8.34 5.02 0.00 2.53 2.87 0.00 0.00 6.83 7.17 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 41 E 8.63 4.41 0.00 1.69 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 2.24 2.16 0.00 42 H 8.79 5.59 0.00 3.09 3.34 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 43 Q 9.02 4.72 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 44 L 8.89 4.50 0.00 1.41 1.18 -0.36 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.94 5.06 0.00 3.87 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 46 L 9.12 4.30 0.00 1.58 1.56 0.66 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.72 4.51 0.00 1.82 1.94 0.00 3.24 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 48 T 7.81 5.21 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 49 V 8.63 5.09 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 1.15 0.00 0.00 0.96 0.00 0.00 50 S 9.09 5.21 0.00 3.87 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 51 L 8.77 4.69 0.00 1.52 1.60 0.88 0.61 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 52 G 9.05 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 0.00 0.00 0.00 53 A 8.81 4.13 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 54 S 7.91 4.58 0.00 4.00 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 55 A 7.67 4.57 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 56 K 8.38 4.10 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 57 D 8.36 4.87 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.79 4.71 0.00 2.01 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 2.42 2.17 0.00 59 L 8.42 4.56 0.00 1.67 1.60 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 H 9.55 5.17 0.00 3.01 3.15 0.00 5.61 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 61 V 8.86 4.81 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 1.00 0.00 0.00 0.95 0.00 0.00 62 V 8.73 5.01 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 0.94 0.00 0.00 0.95 0.00 0.00 63 E 9.36 5.31 0.00 2.22 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 2.24 0.00 64 A 8.76 5.21 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.12 5.06 0.00 1.98 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 2.19 2.39 0.00 66 G 8.34 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 0.00 0.00 0.00 0.00 67 I 8.49 4.94 1.88 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 1.41 0.89 0.98 0.00 0.00 68 N 8.73 4.82 0.00 2.82 3.02 0.00 0.00 6.62 8.29 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 69 Y 8.71 4.08 0.00 2.95 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 70 E 8.15 3.84 0.00 2.11 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 2.35 2.26 0.00 71 G 8.30 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 72 K 7.94 4.29 0.00 1.87 1.73 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.37 7.81 73 T 8.50 4.64 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 74 I 9.20 4.79 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.93 0.00 0.00 75 K 8.61 5.29 0.00 1.63 1.74 0.00 1.70 0.00 0.00 2.06 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 I 8.91 4.71 1.95 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 1.36 0.99 0.97 0.00 0.00 77 A 8.66 4.49 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 78 L 8.89 4.30 0.00 1.71 1.76 0.81 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.59 4.57 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 80 S 8.82 5.29 0.00 3.75 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 81 L 8.92 5.09 0.00 1.61 1.71 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.52 4.96 0.00 1.83 1.61 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.30 7.81 83 P 0.00 4.22 0.00 2.21 2.14 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 84 S 8.16 4.45 0.00 4.01 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 0.00 85 V 7.53 4.17 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.36 4.56 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 87 P 0.00 4.57 0.00 2.15 2.28 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 88 T 7.77 5.21 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 1.22 0.00 0.00 89 V 8.90 4.41 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 0.98 0.00 0.00 0.95 0.00 0.00 90 S 8.73 5.09 0.00 3.93 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 91 L 9.46 4.14 0.00 1.82 1.90 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.49 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 0.00 0.00 0.00 93 G 8.30 3.82 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 0.00 0.00 0.00 94 F 8.34 4.48 0.00 3.15 2.80 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 95 E 8.82 4.97 0.00 1.96 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 2.33 2.52 0.00 96 I 9.02 4.70 1.74 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.88 0.00 0.00 97 T 8.62 4.67 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 98 P 0.00 4.51 0.00 2.06 2.13 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 99 P 0.00 4.86 0.00 2.04 1.98 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 100 V 8.63 4.72 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 1.04 0.00 0.00 0.96 0.00 0.00 101 I 8.64 4.98 1.88 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 1.21 0.74 0.93 0.00 0.00 102 L 8.85 5.22 0.00 1.75 1.62 1.07 0.47 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 0.00 103 R 8.88 5.06 0.00 1.85 1.71 0.00 3.35 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 104 L 8.91 4.53 0.00 1.81 1.61 0.97 0.63 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 0.00 105 K 9.18 4.36 0.00 1.79 1.96 0.00 2.10 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81 106 S 8.11 4.53 0.00 3.87 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 0.00 107 G 8.94 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 0.00 108 S 8.88 4.05 0.00 4.06 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 0.00 109 G 8.30 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 0.00 0.00 0.00 110 P 0.00 4.78 0.00 1.94 2.19 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 111 V 8.65 4.98 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 0.83 0.00 0.00 0.91 0.00 0.00 112 Y 9.15 5.11 0.00 2.93 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 0.00 113 V 8.54 5.03 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 1.16 0.00 0.00 0.94 0.00 0.00 114 S 9.19 5.08 0.00 3.81 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 0.00 115 G 8.16 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 0.00 116 Q 8.34 5.37 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 117 H 9.56 5.31 0.00 3.27 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.24 5.13 0.00 1.64 1.59 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.92 4.77 2.25 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 1.01 0.00 0.00 1.11 0.00 0.00 120 A 8.68 4.76 1.26 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 0.00 0.00 0.00 121 L 8.55 4.11 0.00 1.66 1.62 0.94 0.93 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 * Residues marked with a * may have inaccurate shift predictions.