NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3792 8.3044 120.3427 55.6978 33.6384 175.5019 2 D 4.6507 7.7240 119.3465 52.8338 39.7574 174.2805 3 F 5.0200 9.0938 121.3373 56.9243 41.0428 174.6647 4 R 4.9352 9.4024 120.1500 54.5306 34.6035 174.1843 5 I 4.9583 8.4522 115.0490 59.2765 40.7167 174.4948 6 G 4.4005 9.1643 110.7667 44.5984 0.0000 171.2682 7 Q 5.2295 8.5569 117.4213 54.3908 32.7183 174.0692 8 G 4.3459 9.0508 106.3267 45.1691 0.0000 170.9098 9 Y 5.4553 8.4694 121.5940 56.1407 42.3979 173.4314 10 D 4.5450 7.9798 123.1668 53.3042 45.3579 174.0906 11 V 4.9043 7.6900 120.7702 60.9310 34.4462 173.1910 12 H 4.9822 8.8887 118.4811 54.0819 33.6361 173.0200 13 Q 4.6044 8.7810 119.9394 56.0105 30.1944 175.1109 14 L 4.9323 8.8696 125.1622 53.6753 43.5957 175.8367 15 V 4.6773 8.5249 119.0353 58.5709 36.4084 173.6247 16 P 4.7602 0.0000 0.0000 63.5068 31.5225 176.5181 17 G 4.0418 8.9671 109.3338 45.3891 0.0000 173.6432 18 R 4.9009 7.7363 118.1128 53.3416 34.7839 173.0455 19 P 4.6819 0.0000 0.0000 62.8443 33.4250 174.9891 20 L 4.6826 8.4546 122.9948 53.8065 43.3926 175.3237 21 I 4.9258 8.2454 127.7855 59.5239 39.4866 174.9173 22 I 4.6479 8.2391 126.3174 60.4153 40.2262 176.1320 23 G 3.9872 9.9277 113.5330 46.7378 0.0000 174.8845 24 G 3.9428 9.1697 105.8500 45.1125 0.0000 174.0902 25 V 4.2511 7.4929 120.2300 60.9573 33.1405 174.4547 26 T 4.7641 8.4347 124.2260 63.1820 69.2158 173.9780 27 I 4.4407 8.7142 128.3996 58.2820 39.3135 173.7909 28 P 4.3409 0.0000 0.0000 63.7376 31.6331 175.1596 29 Y 4.7899 8.4188 125.3510 57.0907 41.5294 175.1723 30 E 4.1270 7.5942 120.4511 57.3827 30.0039 176.4172 31 R 4.9753 6.9347 114.1957 55.7069 34.7897 174.1506 32 G 4.8134 8.9301 106.3099 45.3957 0.0000 171.5032 33 L 5.6524 7.8795 120.2519 52.5988 42.8449 178.5077 34 L 4.3578 8.3880 125.1173 53.8118 39.0898 176.2636 *38 D 4.4118 8.2370 119.9228 51.3767 41.5831 176.4287 39 A 3.4067 7.9979 120.8913 53.4418 15.8766 178.5015 40 D 4.7431 7.6922 121.7075 54.4144 40.0812 175.5587 41 V 4.2975 8.0371 121.0573 63.3535 31.7481 177.6625 42 L 3.8984 7.8060 119.2035 58.2921 42.0163 178.9347 43 L 4.0044 8.0189 118.7660 57.8891 41.3970 179.2104 44 H 4.2554 8.2005 116.0338 58.8889 28.7228 177.5052 45 A 4.0187 8.0227 122.4038 55.4387 18.1637 179.7998 46 I 3.6749 7.7717 118.1713 64.6420 37.1179 178.7477 47 T 3.6809 8.1575 116.8268 66.7878 68.2841 176.2562 48 D 4.5168 8.4717 120.7232 57.4746 40.8084 178.7792 49 A 4.2187 8.0368 122.4517 54.5701 18.4740 179.7514 50 L 3.8193 8.0118 117.4832 57.9995 41.6188 179.7770 51 F 4.5034 8.1734 117.9320 60.3256 38.7533 177.9752 52 G 3.6000 8.6157 105.6501 47.8516 0.0000 175.5170 53 A 4.1527 8.1380 123.5852 53.9600 18.5047 178.8712 54 A 3.0401 7.5768 115.4514 51.1904 19.4779 176.8222 55 A 3.6984 7.5515 119.3207 53.7383 16.4545 177.6701 56 L 4.7379 8.4598 115.6878 54.9678 43.6519 178.7919 57 G 3.9570 8.9590 108.6121 45.8106 0.0000 174.9237 58 D 4.8561 7.9603 125.0657 50.4995 43.7626 175.4390 59 I 3.8124 9.3049 119.3640 64.4654 37.6005 177.9994 60 G 3.7168 8.0076 104.7468 47.6967 0.0000 175.4626 61 R 3.9739 7.8629 119.6503 59.0128 30.0681 178.4551 62 H 4.0755 7.2464 115.2223 56.8750 29.7564 175.9717 63 F 4.6481 7.4405 120.9741 55.0750 38.7051 174.6639 64 S 4.3355 8.1615 119.1448 57.4751 63.2944 174.4547 65 D 4.5216 8.8738 125.9485 57.2995 41.0631 177.5189 66 T 4.1987 7.5921 107.9632 62.8062 69.9910 174.5001 67 D 4.3710 7.7426 120.4770 54.0392 41.3731 175.4164 68 P 4.2462 0.0000 0.0000 66.3850 31.5050 178.7570 69 R 3.8210 8.0892 115.4392 57.7216 29.4123 179.2231 70 F 4.8944 7.5309 113.8062 55.8663 41.9352 174.4854 *73 A 4.1020 8.3578 126.9662 51.9528 19.7150 176.4764 74 D 4.7583 8.1333 120.6403 52.4797 42.4396 177.9943 75 S 4.1851 8.8640 116.0531 61.5797 62.6405 177.4197 76 R 3.8955 8.0524 120.5355 58.9581 29.8889 178.5749 77 A 3.9782 8.3823 120.7113 55.1383 18.3109 179.7355 78 L 3.2232 7.7068 117.4587 57.3609 41.5166 179.4092 79 L 3.8886 7.9886 120.4166 58.2377 42.0256 179.2324 80 R 3.8921 7.9283 117.9468 59.3188 30.0027 178.7260 81 E 4.0360 8.2230 119.1043 59.2294 29.5735 178.1368 82 C 4.0119 8.6496 119.0877 62.6978 31.4420 175.6104 83 A 3.9250 8.1440 122.2027 55.1226 17.9234 179.5889 84 S 4.0794 8.1802 111.7952 61.6272 62.5117 176.6483 85 R 4.0698 8.3320 120.9287 59.0727 29.9149 179.2682 86 V 3.6475 8.1848 118.1212 65.9253 31.6037 177.6794 87 A 4.3580 8.2117 122.2193 54.9440 17.9837 179.7612 88 Q 4.0119 8.1444 114.6414 58.7858 28.8685 178.2709 89 A 4.3088 7.9427 120.2485 53.1709 18.2048 178.1195 90 G 3.7790 8.2484 106.4883 44.6632 0.0000 172.5980 91 F 5.1712 8.2352 117.9108 55.4065 41.7411 174.4114 92 A 4.7967 8.9010 125.1617 50.3176 21.2265 176.0777 93 I 4.1581 8.3756 123.3479 61.5669 37.4069 176.0052 94 R 4.5079 8.9913 127.0327 58.1538 31.2445 176.2930 95 N 4.8984 7.5959 113.1440 52.2043 40.5497 173.4743 96 V 4.9457 8.7406 119.4445 61.2842 35.0132 173.7418 97 D 5.4280 9.1978 126.0466 51.7693 45.3085 174.0688 98 S 5.1406 8.1832 115.4553 57.9492 66.6144 173.1008 99 T 5.0853 9.1285 117.0448 62.0206 72.7696 172.9528 100 I 4.7507 8.9769 127.0144 59.7553 39.7458 174.6113 101 I 4.8019 8.9259 128.7134 59.8770 38.5149 174.9263 102 A 4.7992 8.8944 129.4467 50.6792 22.1318 176.9612 103 Q 3.9051 9.0198 124.0870 58.9104 29.5777 175.6664 104 A 4.3506 7.1978 117.0585 50.5176 21.7167 173.8871 105 P 4.4007 0.0000 0.0000 61.1149 33.1727 175.4339 106 K 3.9932 8.3998 119.6715 56.9246 32.3559 176.4946 107 L 4.4338 8.4551 125.3806 55.8053 43.1574 178.3454 108 A 3.9657 8.2559 120.7621 55.1351 17.8537 177.7853 109 P 4.2378 0.0000 0.0000 65.0203 31.6375 177.4398 110 H 4.8070 8.1282 113.9753 55.6196 28.8686 176.8559 111 I 3.6937 7.4851 123.7722 64.6430 36.9222 177.9611 112 D 4.3273 8.1212 119.0003 57.1530 40.6133 178.6892 113 A 3.9388 7.9157 120.7259 55.4220 18.4928 178.9859 114 M 4.3326 7.7694 118.5570 58.1744 32.0366 179.2592 115 R 3.8994 8.2768 117.6965 59.3015 30.2399 179.0550 116 A 3.9839 8.2744 120.6442 55.0862 18.3827 179.4027 117 N 4.2581 8.5894 115.3692 56.5777 38.6979 177.7121 118 I 3.6733 8.0889 121.1984 64.3797 37.1660 178.4249 119 A 3.9880 8.3595 121.7266 54.8909 18.1753 179.4308 120 A 3.9127 8.1115 119.2631 55.6846 18.3249 179.6791 121 D 4.3507 7.9886 115.6971 56.9448 40.9669 178.1479 122 L 4.3098 7.8662 116.6208 53.4373 42.7941 175.6603 123 D 4.3622 7.7600 117.7693 55.5790 40.0500 173.0155 124 L 4.8279 7.9801 117.0976 51.8406 44.8920 175.5507 125 P 4.3102 0.0000 0.0000 62.6284 32.2018 177.1041 126 L 3.9283 8.7860 124.0326 58.4614 41.9825 178.2313 127 D 4.5873 8.0762 113.9300 54.0876 39.2307 176.3023 128 R 4.6217 8.1974 117.4890 56.0813 31.9070 175.0469 129 V 4.7886 7.8207 119.5895 61.0014 33.4210 174.3166 130 N 5.1275 9.2223 125.8668 51.7577 42.5192 172.9599 131 V 5.0154 8.2807 123.6848 59.9889 34.5692 174.4894 132 K 4.8574 9.0239 125.8703 54.5508 36.0046 174.7694 133 A 5.2176 8.3428 121.9132 50.4478 22.1599 175.6933 134 K 4.7446 9.0842 119.8642 54.9577 37.0653 176.4145 135 T 4.7385 8.3995 113.4096 59.9833 71.0329 173.6087 136 N 4.7665 8.6580 116.5834 52.9523 39.0785 174.0986 137 E 3.9012 8.6612 113.1260 57.0022 27.6536 175.2654 138 K 4.1719 8.2011 112.0093 56.5382 30.6991 175.4641 139 L 4.4248 7.8197 119.3991 54.0331 43.2825 178.4338 140 G 4.0423 8.5295 112.5888 44.9466 0.0000 173.2777 141 Y 4.3697 8.1842 115.8180 60.0708 37.6968 178.3912 142 L 4.2118 7.0640 120.5352 57.7081 41.7665 179.4657 143 G 3.7009 8.1274 105.0843 46.9040 0.0000 174.8221 144 R 4.5713 7.7145 118.4211 55.2473 30.3707 176.5603 145 G 4.0036 7.7089 106.5650 46.7842 0.0000 174.6906 146 E 4.3869 8.5890 119.9151 57.0854 30.7120 176.0534 147 G 4.4795 7.6558 104.7291 45.7843 0.0000 172.6596 148 I 4.9786 8.5784 119.8094 59.3773 41.2852 174.5932 149 E 5.0919 9.0658 126.5728 54.3449 32.8370 174.3626 150 A 5.3169 8.6329 125.8467 50.2623 22.9206 175.0316 151 Q 5.1262 9.2605 118.4501 54.1835 33.0615 174.5043 152 A 5.2672 9.1004 123.0477 50.2780 23.4134 174.7280 153 A 5.1922 9.1791 120.8876 50.1040 22.7705 175.1974 154 A 5.1194 9.1661 122.7293 50.0243 22.9621 174.5694 155 L 5.1564 8.7064 123.7737 53.4297 44.6702 175.7600 156 V 5.2480 8.9774 118.6778 59.5498 36.4603 174.7027 157 V 4.7587 8.6842 120.4967 59.9784 34.7050 175.6511 158 R 4.2202 8.7748 123.5691 55.8275 29.5096 175.8695 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 1 M 8.30 4.38 0.00 1.72 1.69 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 2 D 7.72 4.65 0.00 2.83 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 3 F 9.09 5.02 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.40 4.94 0.00 1.58 1.74 0.00 3.30 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 5 I 8.45 4.96 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 1.29 0.94 0.93 0.00 0.00 6 G 9.16 4.40 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 0.00 7 Q 8.56 5.23 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 8 G 9.05 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.47 5.46 0.00 2.94 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 10 D 7.98 4.54 0.00 2.77 2.43 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 11 V 7.69 4.90 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 0.74 0.00 0.00 1.07 0.00 0.00 12 H 8.89 4.98 0.00 3.08 3.16 0.00 5.62 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 13 Q 8.78 4.60 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 14 L 8.87 4.93 0.00 1.62 1.66 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.52 4.68 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 0.68 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.76 0.00 1.91 1.95 0.00 3.70 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 17 G 8.97 4.04 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 0.00 0.00 0.00 18 R 7.74 4.90 0.00 1.70 1.77 0.00 3.29 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 19 P 0.00 4.68 0.00 2.11 2.17 0.00 3.67 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 2.06 1.96 0.00 20 L 8.45 4.68 0.00 2.04 1.86 0.91 0.75 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 21 I 8.25 4.93 1.83 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 1.39 0.69 0.87 0.00 0.00 22 I 8.24 4.65 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 0.87 0.00 0.00 23 G 9.93 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 24 G 9.17 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 0.00 0.00 0.00 25 V 7.49 4.25 2.17 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 0.94 0.00 0.00 0.99 0.00 0.00 26 T 8.43 4.76 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 1.20 0.00 0.00 27 I 8.71 4.44 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.41 0.82 0.00 0.00 28 P 0.00 4.34 0.00 2.12 2.13 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 29 Y 8.42 4.79 0.00 2.94 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 30 E 7.59 4.13 0.00 1.93 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 2.31 1.90 0.00 31 R 6.93 4.98 0.00 1.91 1.89 0.00 3.25 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.00 32 G 8.93 4.81 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 33 L 7.88 5.65 0.00 1.47 1.58 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.39 4.36 0.00 1.57 1.66 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *38 D 8.24 4.41 0.00 2.76 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 39 A 8.00 3.41 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 40 D 7.69 4.74 0.00 2.77 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 41 V 8.04 4.30 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 1.27 0.00 0.00 0.90 0.00 0.00 42 L 7.81 3.90 0.00 1.72 1.83 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.02 4.00 0.00 1.70 1.67 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.20 4.26 0.00 3.45 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.02 4.02 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 46 I 7.77 3.67 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 1.51 0.61 0.87 0.00 0.00 47 T 8.16 3.68 4.48 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 1.26 0.00 0.00 48 D 8.47 4.52 0.00 2.94 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 49 A 8.04 4.22 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 50 L 8.01 3.82 0.00 1.58 1.48 0.80 0.86 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 51 F 8.17 4.50 0.00 3.15 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 52 G 8.62 3.60 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 0.00 0.00 0.00 53 A 8.14 4.15 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 54 A 7.58 3.04 1.17 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 0.00 0.00 55 A 7.55 3.70 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 L 8.46 4.74 0.00 1.71 1.69 1.11 0.96 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 57 G 8.96 3.96 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 0.00 0.00 0.00 58 D 7.96 4.86 0.00 3.08 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 59 I 9.30 3.81 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 1.01 0.00 0.00 60 G 8.01 3.72 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 0.00 61 R 7.86 3.97 0.00 1.73 1.77 0.00 3.09 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 62 H 7.25 4.08 0.00 1.74 1.87 0.00 5.60 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.44 4.65 0.00 2.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.34 0.00 3.89 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 65 D 8.87 4.52 0.00 2.69 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 66 T 7.59 4.20 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 1.23 0.00 0.00 67 D 7.74 4.37 0.00 2.94 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 68 P 0.00 4.25 0.00 2.03 2.09 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 69 R 8.09 3.82 0.00 1.84 1.85 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 70 F 7.53 4.89 0.00 3.13 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 *73 A 8.36 4.10 1.32 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 0.00 0.00 74 D 8.13 4.76 0.00 3.14 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 75 S 8.86 4.19 0.00 3.85 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 76 R 8.05 3.90 0.00 2.03 1.95 0.00 3.11 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 A 8.38 3.98 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 78 L 7.71 3.22 0.00 1.67 1.09 0.83 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.99 3.89 0.00 1.83 1.79 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.93 3.89 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 81 E 8.22 4.04 0.00 2.17 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 2.72 2.85 0.00 82 C 8.65 4.01 0.00 2.91 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 83 A 8.14 3.93 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 84 S 8.18 4.08 0.00 3.98 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 85 R 8.33 4.07 0.00 2.27 2.16 0.00 3.49 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 86 V 8.18 3.65 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 1.07 0.00 0.00 0.91 0.00 0.00 87 A 8.21 4.36 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 88 Q 8.14 4.01 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 89 A 7.94 4.31 1.67 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 90 G 8.25 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 0.00 0.00 0.00 91 F 8.24 5.17 0.00 3.14 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 92 A 8.90 4.80 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 93 I 8.38 4.16 1.89 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 1.35 0.60 0.92 0.00 0.00 94 R 8.99 4.51 0.00 1.96 2.08 0.00 3.49 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 95 N 7.60 4.90 0.00 2.86 2.88 0.00 0.00 5.60 7.68 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 96 V 8.74 4.95 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 0.99 0.00 0.00 0.91 0.00 0.00 97 D 9.20 5.43 0.00 2.79 2.43 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 98 S 8.18 5.14 0.00 3.98 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 99 T 9.13 5.09 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 1.21 0.00 0.00 100 I 8.98 4.75 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 1.20 0.78 0.93 0.00 0.00 101 I 8.93 4.80 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.99 0.88 0.00 0.00 102 A 8.89 4.80 1.18 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 0.00 0.00 103 Q 9.02 3.91 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 104 A 7.20 4.35 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 0.00 105 P 0.00 4.40 0.00 2.05 1.68 0.00 3.34 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 0.00 106 K 8.40 3.99 0.00 1.70 1.76 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.49 7.81 107 L 8.46 4.43 0.00 1.72 1.68 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.26 3.97 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 0.00 109 P 0.00 4.24 0.00 1.67 2.01 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 110 H 8.13 4.81 0.00 3.17 3.29 0.00 5.81 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 0.00 111 I 7.49 3.69 1.94 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 1.80 0.96 0.90 0.00 0.00 112 D 8.12 4.33 0.00 2.67 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 0.00 113 A 7.92 3.94 1.32 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 0.00 0.00 114 M 7.77 4.33 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 115 R 8.28 3.90 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 116 A 8.27 3.98 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 0.00 117 N 8.59 4.26 0.00 2.87 2.86 0.00 0.00 7.05 7.37 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 0.00 118 I 8.09 3.67 1.86 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 1.43 0.99 0.89 0.00 0.00 119 A 8.36 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.35 0.00 2.78 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 0.00 122 L 7.87 4.31 0.00 1.61 1.69 0.89 0.79 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 0.00 123 D 7.76 4.36 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 0.00 124 L 7.98 4.83 0.00 1.61 1.53 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.31 0.00 2.35 1.99 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 126 L 8.79 3.93 0.00 1.71 1.68 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.08 4.59 0.00 2.83 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 0.00 128 R 8.20 4.62 0.00 1.92 2.07 0.00 3.07 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 129 V 7.82 4.79 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.22 5.13 0.00 2.83 2.79 0.00 0.00 6.18 7.53 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 0.00 131 V 8.28 5.02 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 1.25 0.00 0.00 0.92 0.00 0.00 132 K 9.02 4.86 0.00 1.76 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.51 7.81 133 A 8.34 5.22 1.15 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 0.00 0.00 134 K 9.08 4.74 0.00 1.60 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.40 4.74 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 1.19 0.00 0.00 136 N 8.66 4.77 0.00 2.74 2.76 0.00 0.00 7.00 7.65 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 0.00 137 E 8.66 3.90 0.00 2.13 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 2.24 2.39 0.00 138 K 8.20 4.17 0.00 1.92 1.89 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.35 7.81 139 L 7.82 4.42 0.00 1.79 1.52 0.90 0.72 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 0.00 140 G 8.53 4.04 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 0.00 0.00 0.00 141 Y 8.18 4.37 0.00 3.26 3.26 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 0.00 142 L 7.06 4.21 0.00 1.47 1.65 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.13 3.70 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 0.00 0.00 0.00 144 R 7.71 4.57 0.00 1.88 2.09 0.00 3.32 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 145 G 7.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.39 0.00 2.26 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 0.00 2.34 2.33 0.00 147 G 7.66 4.48 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 0.00 0.00 0.00 148 I 8.58 4.98 1.88 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 1.11 1.28 0.93 0.00 0.00 149 E 9.07 5.09 0.00 2.10 1.78 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 2.20 2.23 0.00 150 A 8.63 5.32 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 0.00 151 Q 9.26 5.13 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 152 A 9.10 5.27 1.20 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 0.00 0.00 153 A 9.18 5.19 1.20 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 0.00 0.00 154 A 9.17 5.12 1.17 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 0.00 0.00 155 L 8.71 5.16 0.00 1.80 1.70 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.98 5.25 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 0.69 0.00 0.00 0.73 0.00 0.00 157 V 8.68 4.76 1.53 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 0.77 0.00 0.00 0.07 0.00 0.00 158 R 8.77 4.22 0.00 1.26 1.96 0.00 2.92 0.00 0.00 2.67 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.00 * Residues marked with a * may have inaccurate shift predictions.