NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.5159 8.4087 123.8705 55.3873 33.7874 174.1501 5 A 5.1387 9.3896 128.7133 48.9093 22.8158 172.6822 6 A 4.8804 9.0897 120.0433 51.4830 24.0285 174.1708 7 G 4.2575 8.6328 105.4221 45.8622 0.0000 171.7879 8 L 5.5302 8.5623 119.2415 53.1109 45.0829 177.8224 9 V 4.1467 9.2855 124.9796 62.1059 31.6315 174.1474 10 I 4.9020 8.3293 128.5259 60.9933 38.6014 174.5204 11 Y 5.7481 9.2617 124.5478 55.4541 41.9886 174.1726 12 R 4.6995 9.2383 115.6360 54.6385 33.6462 175.4776 13 K 5.2072 8.3702 118.3430 55.7517 33.3446 178.9607 14 L 3.8713 7.8678 120.7067 56.9157 40.8424 181.8368 15 A 4.3921 7.8357 118.6695 52.2127 18.6368 177.6530 16 G 3.8766 10.0462 107.6147 46.6837 0.0000 174.1983 17 K 4.5522 7.1907 120.6957 53.8843 36.0264 178.4635 18 I 4.4971 8.2040 120.5941 62.2841 38.2198 175.2290 19 E 5.0402 9.1825 125.8027 54.6351 33.9105 174.5407 20 F 5.5057 9.6890 122.2135 55.7389 41.8792 174.6410 21 L 4.0947 8.6939 126.0135 54.4238 42.4045 175.8145 22 L 5.0961 8.7958 126.3649 52.9612 45.2214 175.4190 23 L 5.1876 9.1136 122.6135 53.0270 44.8722 175.1679 24 Q 3.8801 8.3740 124.8761 53.9730 30.1490 174.7576 25 A 4.0723 8.2093 129.4035 52.0841 19.0868 178.1749 26 S 4.2970 8.3671 115.6779 58.9839 64.0611 173.7466 27 Y 4.7105 6.5340 120.1164 54.0410 39.9199 173.2354 28 P 4.2058 0.0000 0.0000 62.9313 31.8214 174.0177 29 P 4.5993 0.0000 0.0000 62.6345 31.3529 175.4284 30 H 4.1256 8.1786 116.0221 57.2660 26.7089 175.5582 *31 H 4.5865 7.8247 116.0390 55.1562 29.4938 176.4067 32 W 5.3645 8.7904 118.8743 55.9703 30.9285 175.6881 33 T 4.8114 8.8161 113.1787 59.6089 72.2632 171.3766 34 P 4.9614 0.0000 0.0000 61.6234 32.7549 174.5459 35 P 4.6368 0.0000 0.0000 62.9434 32.1452 175.8967 36 K 4.5520 8.6818 121.4323 56.9831 35.9747 174.0067 37 G 4.0910 8.0403 107.2073 46.6675 0.0000 172.2952 38 H 4.8939 8.7996 116.9062 55.6111 29.5187 175.9990 39 V 3.8500 8.4765 123.0626 62.8818 31.8537 175.8770 40 D 4.6977 9.5060 128.4616 52.5546 41.8542 174.1251 41 P 4.2953 0.0000 0.0000 64.7604 31.5699 177.1112 42 G 3.9819 9.0917 111.2456 45.1997 0.0000 173.1454 43 E 5.1453 8.1103 118.1638 54.6311 31.2459 175.1747 44 D 5.0676 8.2971 120.1528 51.4909 43.3946 176.8811 45 E 4.1135 8.7380 117.9434 59.2903 29.4403 179.2716 46 W 3.8354 8.4911 127.8679 60.6193 30.8980 177.8525 47 Q 3.8535 8.9609 118.0538 58.8278 28.1387 178.7116 48 A 3.9444 8.1376 121.5088 55.1233 18.4014 179.4297 49 A 4.1072 8.2527 119.5147 55.5096 18.5267 180.0259 50 I 3.4463 7.3227 118.0333 64.2184 37.0562 178.7000 51 R 3.8128 8.0379 119.7063 59.5402 29.7976 178.4619 52 E 3.9805 8.5748 118.7898 59.6415 29.3660 179.5240 53 T 3.9172 7.6893 115.5941 66.2822 68.4563 176.7037 54 K 4.2170 7.7338 122.3469 59.0400 32.0761 178.6835 55 E 3.9110 8.1848 117.8070 59.5609 29.2585 178.8138 56 E 4.2468 8.6346 118.0877 57.4840 29.8888 177.6043 57 A 4.3586 7.6620 118.8296 50.3819 20.5325 175.3015 58 N 4.0472 8.0506 112.9529 54.7445 37.8358 173.7805 59 I 4.5827 7.5376 116.6862 59.3148 40.0973 175.8819 60 T 4.5293 8.9865 115.9519 59.7761 70.6922 175.7533 61 K 3.8382 8.4032 122.7010 59.5306 32.3051 178.7264 62 E 4.0192 7.4902 117.4086 59.1387 29.6942 177.8632 63 Q 4.2457 8.0226 116.1057 56.6111 29.2234 175.0878 64 L 5.1716 7.6190 117.8215 53.1114 45.1042 176.6178 65 T 4.4145 8.5716 119.5445 62.1026 69.8980 173.4521 66 I 4.3922 8.1580 127.9140 60.7111 38.4814 176.4406 67 H 4.6711 9.1139 125.7498 54.5707 27.3190 175.8699 68 E 4.1449 8.8546 127.1299 59.5367 29.5868 178.5973 69 D 4.8068 8.1460 115.3872 52.9404 40.1465 180.3356 70 C 4.3064 8.0847 121.6476 58.2712 31.3033 172.0642 71 H 5.4689 7.9055 122.1407 54.6353 31.6903 172.9752 72 E 4.8437 9.1023 115.4495 55.8841 34.5209 175.0052 73 T 5.0414 8.4380 117.6468 61.9304 71.2589 173.7264 74 L 4.7743 9.2960 128.4920 53.8731 44.6490 176.0215 *75 F 5.3039 8.6426 123.3311 56.5387 41.0185 175.5135 *76 Y 4.8139 9.1998 125.9639 55.4839 42.0182 171.5836 77 E 4.6236 8.7926 114.8336 55.3824 30.3850 176.4522 78 A 4.5927 8.4416 126.8566 50.6223 21.4130 174.2508 *82 P 4.3645 0.0000 0.0000 62.5392 32.5270 175.6861 83 K 4.8042 9.4367 122.2764 54.7715 35.8210 174.6524 84 S 5.2470 8.6555 119.9911 56.5273 66.2457 172.9019 85 V 4.3832 8.8867 122.6386 61.0109 34.1902 173.8804 86 K 4.6696 8.6935 130.5238 55.4594 33.7212 174.7697 87 Y 5.9634 8.8691 124.9166 55.3149 41.2703 174.7199 88 W 5.3647 9.1600 122.1398 54.8283 32.7590 174.7092 89 L 4.9045 8.2975 124.9570 54.9574 43.1127 175.5356 90 A 5.0023 9.1186 126.4072 50.5324 23.2501 174.7173 91 K 3.7082 8.9519 124.6601 54.5152 33.8877 175.2265 92 L 4.5446 8.5711 131.1908 54.6933 41.6589 176.1376 93 N 4.5376 8.6714 125.0778 55.6176 39.0657 175.2255 94 N 5.0404 7.7829 112.7597 49.8897 42.5222 171.9736 95 P 4.0901 0.0000 0.0000 63.5000 31.6252 176.2236 96 D 4.8154 8.3929 121.6415 52.1864 41.9628 175.4461 97 D 4.8326 8.0113 115.5631 52.4057 41.0844 175.6063 98 V 4.1087 8.1242 119.2923 63.3251 32.2585 176.1585 99 Q 4.4237 8.0606 124.6615 54.3465 32.7519 174.1833 100 L 4.9255 8.7332 121.8829 52.8082 44.4097 176.2137 101 S 4.8219 8.1928 116.1883 57.0021 65.6267 174.3144 102 H 4.3548 8.9438 114.3922 58.1039 28.3120 176.1995 103 E 4.2110 8.0283 119.7915 58.2081 29.6743 176.0306 104 H 5.2176 7.8667 114.5794 53.9541 32.5086 173.1166 105 Q 4.4781 8.3950 118.8162 56.0614 29.9202 174.2018 106 N 4.7484 7.5149 116.3746 53.4641 42.5405 172.0368 107 W 5.7978 8.3327 117.1720 55.9682 31.4198 173.4911 108 K 4.5471 9.1519 119.3832 55.2848 35.6247 174.0947 109 W 5.2321 8.9555 126.4226 55.8834 30.2995 175.3539 110 C 5.0089 9.2512 123.2832 57.6016 30.8659 174.2734 111 E 4.7054 8.9517 122.1571 55.4876 30.1660 177.3417 112 L 4.0458 8.9573 122.4239 59.1788 42.1012 179.5460 113 E 3.9900 8.1881 117.5398 59.2342 29.3914 178.8129 114 D 4.2488 8.0774 117.6547 57.0786 41.3326 177.8654 115 A 3.9195 8.4105 121.7600 55.2108 18.4065 179.6645 116 I 3.5937 7.9138 120.6719 65.0095 36.9633 179.4301 117 K 3.9392 7.5837 122.8873 59.9589 31.6001 180.7050 118 I 3.8170 7.7435 120.3064 63.9574 37.2219 178.2599 119 A 4.2304 8.4685 121.8982 52.8968 18.2913 176.9834 120 D 4.5861 8.1718 118.3404 55.4510 40.5458 174.9605 *121 Y 4.5228 7.4461 118.5509 56.0300 40.7991 176.2193 122 A 4.1573 8.7684 128.2538 54.7469 18.3844 178.9408 123 E 3.8619 8.1504 116.0713 59.7830 29.5582 179.2291 124 M 3.9173 7.9760 117.7474 58.4445 32.3380 178.1578 125 G 3.5883 8.0638 105.8818 48.0542 0.0000 175.7849 126 S 4.0461 8.0398 117.5946 61.0059 62.7311 176.5384 127 L 3.5922 7.7687 123.0854 58.0363 41.7059 179.0176 128 L 3.5562 7.9400 119.1964 57.7110 41.4520 179.7713 129 R 3.9596 8.1506 120.5240 59.6753 29.9627 179.9055 130 K 4.0687 8.1121 123.5135 59.9491 31.7281 181.1885 131 F 4.6993 8.4855 119.6514 60.6049 38.8084 178.0353 132 S 4.3028 8.7246 115.0145 61.5552 62.3857 176.6161 133 A 4.0630 8.0298 122.8257 54.9497 18.5024 179.0644 134 F 4.2170 8.3879 119.2546 61.5784 39.6143 177.3820 135 L 3.9935 8.2766 118.3718 57.7723 41.1795 179.3770 136 A 4.2040 8.2120 119.8361 54.0918 18.3350 178.8047 137 G 3.9031 7.6160 101.0212 44.4406 0.0000 173.3826 138 F 4.2083 7.6656 128.0454 57.9657 39.3830 175.0723 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 4 K 8.41 4.52 0.00 1.47 1.81 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 0.87 7.81 5 A 9.39 5.14 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 6 A 9.09 4.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.63 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 0.00 0.00 0.00 0.00 8 L 8.56 5.53 0.00 1.60 1.67 0.77 1.05 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 9 V 9.29 4.15 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 1.26 0.00 0.00 0.78 0.00 0.00 10 I 8.33 4.90 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 1.10 0.00 0.00 11 Y 9.26 5.75 0.00 2.75 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 12 R 9.24 4.70 0.00 1.48 1.61 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.24 0.00 13 K 8.37 5.21 0.00 1.81 1.81 0.00 2.07 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.49 1.55 7.81 14 L 7.87 3.87 0.00 1.66 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.84 4.39 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 16 G 10.05 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 17 K 7.19 4.55 0.00 1.41 1.62 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.33 1.01 7.81 18 I 8.20 4.50 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.49 0.00 0.00 19 E 9.18 5.04 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 20 F 9.69 5.51 0.00 3.07 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 21 L 8.69 4.09 0.00 0.27 1.26 0.23 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.80 5.10 0.00 1.80 1.84 0.87 0.27 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 23 L 9.11 5.19 0.00 1.30 1.32 0.67 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.37 3.88 0.00 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 25 A 8.21 4.07 0.14 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 26 S 8.37 4.30 0.00 3.99 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 27 Y 6.53 4.71 0.00 3.10 3.01 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 28 P 0.00 4.21 0.00 2.06 2.05 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 29 P 0.00 4.60 0.00 2.19 2.15 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 30 H 8.18 4.13 0.00 3.21 3.24 0.00 5.62 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 H 7.82 4.59 0.00 2.60 2.94 0.00 7.16 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.79 5.36 0.00 3.06 3.15 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 33 T 8.82 4.81 4.37 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 1.29 0.00 0.00 34 P 0.00 4.96 0.00 2.18 2.15 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.99 0.00 35 P 0.00 4.64 0.00 2.07 1.92 0.00 3.96 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 36 K 8.68 4.55 0.00 1.69 1.77 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.47 7.81 37 G 8.04 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 38 H 8.80 4.89 0.00 3.06 3.22 0.00 5.70 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 39 V 8.48 3.85 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 0.83 0.00 0.00 0.97 0.00 0.00 40 D 9.51 4.70 0.00 2.85 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 41 P 0.00 4.30 0.00 2.03 2.02 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 42 G 9.09 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 43 E 8.11 5.15 0.00 2.23 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 2.30 2.20 0.00 44 D 8.30 5.07 0.00 2.98 2.86 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 45 E 8.74 4.11 0.00 2.35 2.35 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 2.46 2.45 0.00 46 W 8.49 3.84 0.00 3.11 3.13 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 47 Q 8.96 3.85 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 48 A 8.14 3.94 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 49 A 8.25 4.11 1.50 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 0.00 0.00 50 I 7.32 3.45 1.65 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.12 0.69 0.00 0.00 51 R 8.04 3.81 0.00 1.81 2.04 0.00 3.23 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 52 E 8.57 3.98 0.00 2.01 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 2.42 2.55 0.00 53 T 7.69 3.92 4.32 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 1.16 0.00 0.00 54 K 7.73 4.22 0.00 1.82 1.90 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.34 7.81 55 E 8.18 3.91 0.00 2.06 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 2.48 0.00 56 E 8.63 4.25 0.00 2.02 1.88 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 2.32 2.44 0.00 57 A 7.66 4.36 1.10 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 0.00 0.00 58 N 8.05 4.05 0.00 2.90 2.83 0.00 0.00 6.94 8.07 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 59 I 7.54 4.58 1.82 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 1.46 1.47 0.89 0.00 0.00 60 T 8.99 4.53 4.30 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 1.17 0.00 0.00 61 K 8.40 3.84 0.00 1.68 1.78 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.27 7.81 62 E 7.49 4.02 0.00 1.86 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 2.32 0.00 63 Q 8.02 4.25 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 64 L 7.62 5.17 0.00 1.54 1.47 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.57 4.41 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 1.30 0.00 0.00 66 I 8.16 4.39 2.03 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 1.03 0.00 0.00 67 H 9.11 4.67 0.00 3.01 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.85 4.14 0.00 1.95 1.88 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 2.30 2.51 0.00 69 D 8.15 4.81 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 4.31 0.00 1.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.91 5.47 0.00 2.47 2.35 0.00 5.80 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.10 4.84 0.00 1.65 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 2.15 2.16 0.00 73 T 8.44 5.04 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 74 L 9.30 4.77 0.00 1.63 1.60 0.95 0.92 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 *75 F 8.64 5.30 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 Y 9.20 4.81 0.00 1.91 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 0.00 0.00 0.00 77 E 8.79 4.62 0.00 1.97 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 2.15 1.85 0.00 78 A 8.44 4.59 1.27 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 0.00 0.00 *82 P 0.00 4.36 0.00 2.22 2.11 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 83 K 9.44 4.80 0.00 1.77 1.62 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.37 7.81 84 S 8.66 5.25 0.00 3.88 3.91 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 85 V 8.89 4.38 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 0.09 0.00 0.00 0.88 0.00 0.00 86 K 8.69 4.67 0.00 1.82 1.51 0.00 1.38 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.46 0.93 7.81 87 Y 8.87 5.96 0.00 3.03 2.97 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 88 W 9.16 5.36 0.00 3.41 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 89 L 8.30 4.90 0.00 0.81 1.13 1.31 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 A 9.12 5.00 1.24 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 0.00 0.00 0.00 91 K 8.95 3.71 0.00 1.47 1.52 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.11 0.69 7.81 92 L 8.57 4.54 0.00 1.72 1.61 0.96 1.23 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 93 N 8.67 4.54 0.00 2.64 2.83 0.00 0.00 6.83 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.78 5.04 0.00 2.63 2.66 0.00 0.00 6.88 8.02 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 95 P 0.00 4.09 0.00 2.02 2.00 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 96 D 8.39 4.82 0.00 2.83 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 97 D 8.01 4.83 0.00 2.59 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 98 V 8.12 4.11 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 0.84 0.00 0.00 99 Q 8.06 4.42 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 100 L 8.73 4.93 0.00 1.58 1.61 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.19 4.82 0.00 3.90 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 0.00 102 H 8.94 4.35 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.03 4.21 0.00 2.05 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 2.26 1.91 0.00 104 H 7.87 5.22 0.00 3.05 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.39 4.48 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 106 N 7.51 4.75 0.00 2.73 2.59 0.00 0.00 6.72 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 0.00 107 W 8.33 5.80 0.00 3.33 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 9.15 4.55 0.00 1.87 1.56 0.00 1.40 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.40 7.81 109 W 8.96 5.23 0.00 3.31 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 0.00 110 C 9.25 5.01 0.00 2.93 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 0.00 111 E 8.95 4.71 0.00 2.09 1.95 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 2.62 2.32 0.00 112 L 8.96 4.05 0.00 2.02 1.82 0.85 0.96 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 0.00 113 E 8.19 3.99 0.00 2.03 1.98 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 2.42 2.31 0.00 114 D 8.08 4.25 0.00 2.74 2.81 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 0.00 115 A 8.41 3.92 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 0.00 116 I 7.91 3.59 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.85 0.00 0.00 117 K 7.58 3.94 0.00 1.89 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 118 I 7.74 3.82 1.59 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.79 -0.24 0.00 0.00 119 A 8.47 4.23 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 0.00 120 D 8.17 4.59 0.00 2.90 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 *121 Y 7.45 4.52 0.00 2.42 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 0.00 0.00 0.00 122 A 8.77 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.15 3.86 0.00 1.96 1.98 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 2.38 2.30 0.00 124 M 7.98 3.92 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 125 G 8.06 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.05 0.00 3.97 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 0.00 127 L 7.77 3.59 0.00 1.50 1.46 0.67 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.94 3.56 0.00 1.53 1.20 0.60 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.15 3.96 0.00 1.94 1.96 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 130 K 8.11 4.07 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 131 F 8.49 4.70 0.00 3.07 3.13 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 0.00 132 S 8.72 4.30 0.00 4.09 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 0.00 133 A 8.03 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.39 4.22 0.00 3.20 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 0.00 135 L 8.28 3.99 0.00 1.91 1.64 0.15 0.65 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 0.00 136 A 8.21 4.20 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 0.00 137 G 7.62 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 0.00 138 F 7.67 4.21 0.00 2.35 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 * Residues marked with a * may have inaccurate shift predictions.