NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *16 H 4.7649 8.2876 117.3764 54.0332 29.4231 173.9058 17 F 4.2391 8.9592 121.0967 56.7875 37.7675 174.8728 18 K 4.1146 7.5795 119.7127 57.9752 33.9339 178.0827 19 D 4.5236 7.5412 120.3466 53.1105 41.3841 174.3323 20 P 4.6770 0.0000 0.0000 63.3733 32.4549 174.9776 21 K 4.8487 9.2452 119.1225 55.4924 37.4989 175.1069 22 R 5.1474 9.2104 120.1159 53.8905 33.1389 175.8027 23 L 5.1335 8.6496 122.3920 53.3799 44.0211 174.6331 24 Y 4.5050 9.0537 126.9984 56.8138 40.4294 173.6250 25 C 4.1659 8.5210 128.1774 57.6462 32.3458 174.2245 26 K 3.7536 8.5037 128.6898 59.2734 31.8644 175.9401 27 N 4.2289 7.5482 116.8337 54.3656 37.9036 174.5001 28 G 3.8555 8.7040 115.2066 44.4236 0.0000 172.0310 29 G 2.8716 7.0831 106.2452 46.3490 0.0000 173.3599 30 F 4.7687 7.3238 116.6453 55.6064 42.0335 175.3506 31 F 5.1250 9.4015 121.7819 55.9457 40.4852 175.2151 32 L 4.4042 9.1700 126.5988 55.7215 43.1621 175.5895 33 R 4.9055 9.5007 126.4504 54.5443 33.2931 174.1496 34 I 4.4918 8.3901 126.9970 59.6441 38.9333 175.4533 35 H 4.4574 8.8789 125.0914 54.7222 29.3071 175.3622 36 P 4.1886 0.0000 0.0000 65.6077 31.2397 177.0953 37 D 4.5811 8.1050 114.9334 53.2388 39.7788 177.0582 38 G 3.9612 8.5641 109.2159 45.5254 0.0000 173.8911 39 R 4.5427 7.7269 118.8119 55.4885 31.0561 175.4525 40 V 4.9424 8.2124 120.5157 61.1621 34.1636 174.3141 41 D 4.7133 8.5070 125.2725 52.8479 42.5026 173.9830 42 G 4.5717 8.5936 104.8816 45.2760 0.0000 172.8860 43 V 5.0281 8.6401 112.3904 60.2958 36.1030 176.0269 44 R 3.9565 8.9079 121.0321 57.4042 30.9826 176.4634 45 E 4.0890 8.3455 121.2422 56.2910 28.8891 177.7744 46 K 3.6745 8.6844 128.8787 56.6128 31.8437 174.7527 47 S 4.3549 7.8521 110.0669 59.7734 63.1147 173.7622 48 D 4.3639 8.0370 121.1007 54.3358 41.0661 175.1420 49 P 4.4185 0.0000 0.0000 65.4805 31.8103 176.9859 *50 H 4.7416 9.2504 116.7303 54.3244 27.9441 181.4684 51 I 4.5733 7.3159 113.1499 61.1915 38.4716 175.7416 52 K 4.3095 7.7795 126.2448 55.1940 32.4835 181.1101 53 L 5.1432 9.1411 126.1428 51.9413 45.6873 175.7706 54 Q 4.7813 8.8445 121.8447 54.4912 31.3615 174.4508 55 L 5.0490 8.5658 126.5011 54.3643 43.5971 176.4413 56 Q 4.6701 8.6050 121.7966 54.9757 32.8339 173.6459 57 A 4.6717 8.8505 130.0049 52.1455 19.3012 176.3989 58 E 4.3226 8.8632 123.3790 57.3049 30.8310 175.2624 59 E 4.5164 7.5811 114.3760 54.5885 32.0964 173.8070 60 R 3.8297 8.5513 119.0752 58.1603 30.0116 176.3400 61 G 4.0212 9.0963 112.3789 45.6493 0.0000 171.9886 62 V 4.8278 8.0035 120.3632 61.0036 34.2256 174.9251 63 V 5.3369 9.2121 120.3154 59.6857 36.4381 174.3374 64 S 5.4612 9.0385 115.9184 55.8917 66.3099 173.1376 65 I 4.6661 8.4385 122.0809 59.5447 39.9353 174.0466 66 K 4.6897 8.6847 129.1406 54.1306 34.8994 175.2113 67 G 3.8075 8.8076 115.7642 45.9638 0.0000 174.3239 68 V 3.6082 8.3163 126.9305 66.1662 31.7883 177.6741 69 S 4.1657 8.0614 113.4279 61.6785 62.7530 175.8940 70 A 3.9789 7.8903 120.9499 53.1114 18.3553 176.5431 71 N 4.0862 7.9352 113.2043 54.8890 38.0356 173.5362 72 R 4.8389 7.4229 112.5311 54.3556 35.3574 174.1689 73 Y 4.9969 8.9160 118.6334 55.8827 40.3585 175.4655 74 L 4.5214 9.0586 126.5551 55.7113 43.5814 175.5618 75 A 5.1694 9.2339 125.7387 50.9604 23.2838 174.5193 76 M 5.1237 8.6549 122.3385 54.2690 34.5450 176.8403 77 K 4.3593 9.0891 130.6747 54.0778 33.0311 174.8833 78 E 4.0910 8.6817 112.8608 60.1420 29.5200 176.2049 79 D 4.6288 8.0940 115.0047 53.5252 40.1234 177.0469 80 G 3.9048 8.5856 111.3577 46.3088 0.0000 173.9903 81 R 4.6504 8.2080 119.9462 55.8613 31.1894 179.4295 82 L 5.0587 6.6331 120.4489 53.2300 43.8905 175.5970 83 L 4.6014 8.4957 121.2294 55.0309 44.5536 173.4492 84 A 5.1705 8.5430 121.4093 50.2720 20.7959 175.9629 85 S 4.5690 9.4022 120.8478 57.7252 63.8564 176.1743 86 K 4.0741 8.9300 127.8706 56.7507 31.8565 177.0365 87 S 4.9337 7.6207 112.0074 55.5910 65.4845 173.8626 88 V 3.1393 7.9557 122.3103 63.1253 31.7987 174.9690 89 T 4.6339 7.7338 120.1761 59.7652 70.5645 173.4168 90 D 4.6694 8.7256 123.3630 55.3492 39.5953 177.0839 91 E 4.3244 7.7138 115.0052 56.2943 29.7574 181.5594 92 C 4.8840 7.4020 115.4947 59.5498 29.7353 172.9509 93 F 5.1810 7.1197 118.3243 55.6159 41.6868 174.3834 94 F 5.4043 9.3098 121.1419 55.5015 43.5939 174.1606 95 F 4.7378 9.7910 122.9374 57.6641 39.8030 173.8072 96 E 4.9387 9.2673 126.1356 54.7324 31.0625 175.1543 97 R 4.6112 8.4134 126.3081 54.5014 33.9559 173.4551 98 L 4.8156 8.5756 128.4481 53.8594 42.6070 176.0952 99 E 4.3640 9.1592 127.2693 55.5521 30.2488 178.4784 100 S 4.2187 8.5863 115.1971 61.2219 62.9531 175.0022 101 N 4.5455 8.1206 116.0334 53.0462 37.5049 175.0417 102 N 4.3717 8.5286 115.8630 54.1490 36.5630 173.2050 103 Y 4.7935 8.2793 115.8630 56.5364 41.3740 174.4622 104 N 5.5752 9.7566 118.7875 52.1987 41.5937 174.4051 105 T 5.1962 8.4183 110.5152 60.2569 73.0089 172.6051 106 Y 4.8016 8.7723 119.9296 56.5727 41.2285 174.0281 107 R 4.8000 8.8745 125.8133 53.9759 32.4727 175.3041 108 S 4.2874 8.7398 121.4757 59.2411 62.7172 175.0104 109 R 4.0011 8.6110 130.1514 59.6245 30.0156 178.4947 110 K 4.1112 8.3302 122.3470 57.6028 32.5420 183.1654 *111 Y 4.4772 7.6200 122.3085 54.5340 35.2907 178.5776 112 T 4.3607 8.3545 111.4044 62.0058 69.0676 175.5361 113 S 4.6013 8.2541 117.5880 58.4153 64.7889 174.5123 *114 W 4.9578 7.7317 124.1821 55.9100 30.2673 180.2766 115 Y 5.2768 8.7207 119.9697 55.6548 40.9841 175.8669 116 V 3.9523 8.7780 122.3545 63.1851 32.8000 174.8432 117 A 5.3037 8.5646 127.1085 51.2367 22.5940 174.6219 118 L 5.1551 8.5305 121.1532 53.5286 45.0823 177.4432 119 K 4.5076 9.1356 127.8332 54.4617 33.4190 179.1250 120 R 4.0992 8.7091 118.2590 59.7585 29.4480 179.1586 121 T 4.0962 7.6627 105.2760 63.5768 69.3611 175.5247 122 G 2.6550 7.7831 111.1954 45.0399 0.0000 173.6180 123 Q 4.7755 7.6188 120.8760 53.8260 30.3688 180.3984 124 Y 4.7439 8.3295 119.2520 57.2040 39.2427 174.8230 125 K 4.6864 8.9181 123.5751 54.6889 34.7048 176.4291 126 L 4.3677 8.9543 126.7788 54.8067 41.5840 175.6008 127 G 4.0544 9.4397 113.9352 47.8559 0.0000 175.6985 128 S 4.2612 8.1692 112.9684 60.3507 63.1894 174.8689 129 K 4.4652 8.3268 119.9332 56.2192 31.9896 176.1231 130 T 4.7600 7.0601 108.7959 59.7523 70.9317 174.0931 131 G 4.2698 7.9715 109.6884 43.4144 0.0000 172.2071 132 P 3.8593 0.0000 0.0000 64.9286 31.0819 177.3512 133 G 3.8877 7.7371 104.9404 45.1619 0.0000 173.7401 134 Q 4.1333 7.5930 119.6356 55.4166 29.0228 177.1396 135 K 3.8764 8.3789 120.7187 58.5733 32.9743 178.8264 136 A 3.9579 7.8614 121.3613 54.0471 18.4771 178.2391 137 I 4.6315 7.3477 106.5444 60.0856 38.4758 175.1979 138 L 4.6718 7.1890 122.5467 53.9872 42.6847 175.7017 139 F 5.5424 9.5463 122.7797 55.5070 43.3134 174.1471 140 L 5.1653 9.4955 124.1724 52.5272 44.3355 173.7995 141 P 5.1013 0.0000 0.0000 63.3321 32.1463 175.6100 142 M 5.0186 9.4142 122.6908 53.0456 36.6142 174.8887 143 S 4.4388 8.6687 115.1496 58.1306 63.9881 173.7224 144 A 4.5157 8.6494 129.9355 52.7775 18.8872 178.3402 145 K 4.1760 7.6242 126.8272 56.7451 32.2421 177.8227 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 *16 H 8.29 4.76 0.00 2.85 3.04 0.00 7.16 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.96 4.24 0.00 3.24 3.28 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 18 K 7.58 4.11 0.00 1.72 1.69 0.00 1.39 0.00 0.00 1.40 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.49 1.13 7.81 19 D 7.54 4.52 0.00 2.82 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 20 P 0.00 4.68 0.00 2.05 2.14 0.00 3.72 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 1.97 1.98 0.00 21 K 9.25 4.85 0.00 1.68 1.96 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.61 7.81 22 R 9.21 5.15 0.00 1.88 1.97 0.00 2.53 0.00 0.00 2.66 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 23 L 8.65 5.13 0.00 1.63 1.72 0.39 0.90 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 24 Y 9.05 4.51 0.00 3.01 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 25 C 8.52 4.17 0.00 2.63 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 26 K 8.50 3.75 0.00 1.24 1.41 0.00 0.94 0.00 0.00 1.22 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.30 7.81 27 N 7.55 4.23 0.00 2.65 2.62 0.00 0.00 7.04 7.98 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 28 G 8.70 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 0.00 0.00 0.00 29 G 7.08 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 0.00 0.00 0.00 30 F 7.32 4.77 0.00 2.92 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 31 F 9.40 5.13 0.00 3.21 3.06 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 32 L 9.17 4.40 0.00 1.86 1.59 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 R 9.50 4.91 0.00 1.87 2.04 0.00 3.00 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.65 0.00 34 I 8.39 4.49 1.81 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 1.17 0.73 0.86 0.00 0.00 35 H 8.88 4.46 0.00 3.41 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.19 0.00 2.05 2.13 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 37 D 8.11 4.58 0.00 2.78 2.76 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 38 G 8.56 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 39 R 7.73 4.54 0.00 1.93 1.93 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 40 V 8.21 4.94 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 0.84 0.00 0.00 0.89 0.00 0.00 41 D 8.51 4.71 0.00 2.90 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 42 G 8.59 4.57 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 43 V 8.64 5.03 2.24 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 0.85 0.00 0.00 1.11 0.00 0.00 44 R 8.91 3.96 0.00 1.83 1.98 0.00 3.02 0.00 0.00 2.92 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.00 45 E 8.35 4.09 0.00 2.11 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 2.40 2.38 0.00 46 K 8.68 3.67 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 47 S 7.85 4.35 0.00 3.89 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 0.00 48 D 8.04 4.36 0.00 2.84 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 49 P 0.00 4.42 0.00 2.20 2.14 0.00 3.80 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 1.98 1.95 0.00 *50 H 9.25 4.74 0.00 2.80 3.06 0.00 7.16 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.32 4.57 1.92 0.00 0.00 0.47 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 1.05 1.02 0.00 0.00 52 K 7.78 4.31 0.00 1.47 1.76 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.04 7.81 53 L 9.14 5.14 0.00 1.58 1.49 0.84 0.56 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 54 Q 8.84 4.78 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 55 L 8.57 5.05 0.00 1.66 1.66 1.01 0.78 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 56 Q 8.60 4.67 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 57 A 8.85 4.67 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 58 E 8.86 4.32 0.00 1.79 1.61 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 1.47 1.87 0.00 59 E 7.58 4.52 0.00 2.07 1.87 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 2.08 2.20 0.00 60 R 8.55 3.83 0.00 1.78 1.94 0.00 3.33 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 61 G 9.10 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 62 V 8.00 4.83 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 0.80 0.00 0.00 0.60 0.00 0.00 63 V 9.21 5.34 2.30 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 0.88 0.00 0.00 1.18 0.00 0.00 64 S 9.04 5.46 0.00 3.82 4.08 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 65 I 8.44 4.67 1.73 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.56 0.71 0.00 0.00 66 K 8.68 4.69 0.00 1.47 1.46 0.00 0.99 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.99 0.72 7.81 67 G 8.81 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 68 V 8.32 3.61 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 0.75 0.00 0.00 0.90 0.00 0.00 69 S 8.06 4.17 0.00 3.86 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 70 A 7.89 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 71 N 7.94 4.09 0.00 2.77 2.81 0.00 0.00 6.94 7.08 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 72 R 7.42 4.84 0.00 1.69 1.70 0.00 3.26 0.00 0.00 3.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 73 Y 8.92 5.00 0.00 2.82 2.76 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 74 L 9.06 4.52 0.00 1.63 1.59 0.79 0.38 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 75 A 9.23 5.17 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 76 M 8.65 5.12 0.00 2.11 2.16 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 2.52 2.48 0.00 77 K 9.09 4.36 0.00 1.71 1.69 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.25 7.81 78 E 8.68 4.09 0.00 1.98 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 2.23 1.88 0.00 79 D 8.09 4.63 0.00 2.81 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 80 G 8.59 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 81 R 8.21 4.65 0.00 1.53 1.81 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 82 L 6.63 5.06 0.00 0.55 1.27 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.50 4.60 0.00 1.73 1.70 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.54 5.17 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 85 S 9.40 4.57 0.00 3.86 3.75 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 86 K 8.93 4.07 0.00 1.82 1.71 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 S 7.62 4.93 0.00 3.91 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 88 V 7.96 3.14 1.80 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 0.35 0.00 0.00 -0.21 0.00 0.00 89 T 7.73 4.63 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 1.10 0.00 0.00 90 D 8.73 4.67 0.00 2.85 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 91 E 7.71 4.32 0.00 1.99 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 2.17 2.13 0.00 92 C 7.40 4.88 0.00 2.11 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 93 F 7.12 5.18 0.00 2.70 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 94 F 9.31 5.40 0.00 3.05 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 95 F 9.79 4.74 0.00 3.08 2.99 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 96 E 9.27 4.94 0.00 2.21 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 2.22 1.99 0.00 97 R 8.41 4.61 0.00 1.99 1.72 0.00 3.20 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 98 L 8.58 4.82 0.00 1.70 1.60 1.00 0.99 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 99 E 9.16 4.36 0.00 2.41 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 2.38 2.43 0.00 100 S 8.59 4.22 0.00 3.99 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 0.00 101 N 8.12 4.55 0.00 3.04 3.06 0.00 0.00 6.14 8.04 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 0.00 102 N 8.53 4.37 0.00 2.77 2.86 0.00 0.00 6.79 7.00 0.00 0.00 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 Y 8.28 4.79 0.00 3.10 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 0.00 104 N 9.76 5.58 0.00 3.02 2.51 0.00 0.00 6.88 7.33 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 0.00 105 T 8.42 5.20 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 1.32 0.00 0.00 106 Y 8.77 4.80 0.00 2.78 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 0.00 107 R 8.87 4.80 0.00 1.53 1.82 0.00 3.04 0.00 0.00 2.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.00 108 S 8.74 4.29 0.00 4.11 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 0.00 109 R 8.61 4.00 0.00 1.41 1.75 0.00 3.07 0.00 0.00 2.67 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.00 110 K 8.33 4.11 0.00 1.82 1.68 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.00 7.81 *111 Y 7.62 4.48 0.00 2.26 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 0.00 0.00 0.00 112 T 8.35 4.36 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 1.33 0.00 0.00 113 S 8.25 4.60 0.00 4.02 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 *114 W 7.73 4.96 0.00 2.20 2.19 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 0.00 115 Y 8.72 5.28 0.00 2.86 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 0.00 116 V 8.78 3.95 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 0.62 0.00 0.00 0.41 0.00 0.00 117 A 8.56 5.30 1.35 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 0.00 118 L 8.53 5.16 0.00 1.52 1.49 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.14 4.51 0.00 1.39 1.67 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.25 7.81 120 R 8.71 4.10 0.00 1.82 1.89 0.00 3.23 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 121 T 7.66 4.10 4.18 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 1.17 0.00 0.00 122 G 7.78 2.66 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 0.00 123 Q 7.62 4.78 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 124 Y 8.33 4.74 0.00 3.01 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 0.00 125 K 8.92 4.69 0.00 1.81 1.80 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.38 7.81 126 L 8.95 4.37 0.00 1.61 1.58 0.92 0.78 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 0.00 127 G 9.44 4.05 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 0.00 0.00 0.00 128 S 8.17 4.26 0.00 4.03 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 0.00 129 K 8.33 4.47 0.00 1.87 1.89 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 130 T 7.06 4.76 4.38 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 1.47 0.00 0.00 131 G 7.97 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 0.00 0.00 0.00 0.00 132 P 0.00 3.86 0.00 2.16 2.24 0.00 3.77 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 1.98 2.02 0.00 133 G 7.74 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 0.00 0.00 0.00 134 Q 7.59 4.13 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 135 K 8.38 3.88 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.25 7.81 136 A 7.86 3.96 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 I 7.35 4.63 1.90 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.80 0.00 0.00 138 L 7.19 4.67 0.00 1.15 1.13 0.63 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 139 F 9.55 5.54 0.00 3.27 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 0.00 140 L 9.50 5.17 0.00 1.98 1.76 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 5.10 0.00 2.24 2.22 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 142 M 9.41 5.02 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.50 0.00 143 S 8.67 4.44 0.00 3.92 3.73 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 0.00 144 A 8.65 4.52 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 0.00 145 K 7.62 4.18 0.00 1.88 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.