NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5272 8.1633 118.3341 55.3522 33.6298 173.3009 2 I 4.6669 8.1849 119.2742 59.2250 39.3302 174.3453 3 R 4.5940 9.7049 127.5480 55.2269 33.1088 175.0708 4 T 5.0139 8.3612 118.1439 62.4465 70.0261 174.0017 5 M 5.0289 9.0597 126.1814 52.8262 36.2677 174.8577 6 L 3.3666 8.8098 124.0714 55.7931 41.8114 176.4359 7 Q 4.4616 9.1643 129.3119 58.5171 30.3395 175.5384 8 G 4.0272 7.8581 103.6236 46.6530 0.0000 171.8402 9 K 4.9821 8.4530 117.8091 55.7394 36.5780 174.8438 10 L 4.9388 8.8435 122.4954 53.6397 43.6953 175.1738 11 H 4.7359 9.4483 126.1160 54.5847 30.9316 175.3342 12 R 4.1029 8.1986 126.7937 57.4061 27.1075 176.6872 13 V 3.7304 7.4638 113.1298 61.4973 33.6550 177.5197 14 K 5.0164 8.9719 126.4006 53.3291 33.8295 177.5180 15 V 3.9230 8.7152 125.9400 62.7876 31.7589 176.4340 16 T 4.4136 8.9978 118.6901 63.0062 70.4721 174.6679 17 H 4.9338 8.0219 117.2369 54.5379 33.6826 172.9800 18 A 5.2864 8.5527 123.9636 52.8674 20.4610 174.7702 *19 D 4.9349 8.5397 123.7518 52.2792 43.0229 176.5261 20 L 5.0941 8.3883 125.5417 54.2991 41.4697 176.4327 *21 H 4.5886 7.7524 120.0595 54.5443 30.0222 172.7839 *22 Y 3.4421 8.4570 127.2008 56.0835 36.0173 168.0810 23 E 4.6163 8.7415 119.0420 55.4422 30.9888 176.9647 24 G 3.9294 8.5538 106.9150 45.5224 0.0000 172.9510 25 S 4.4481 7.3609 114.2024 55.4502 66.7342 171.7713 26 C 5.1262 8.2936 119.3711 57.6410 33.6301 172.4736 27 A 4.9751 9.0461 129.1817 50.9137 20.5397 175.7996 28 I 4.8418 8.5588 123.1289 59.3281 41.3073 174.2165 29 D 4.3223 8.3148 125.5071 54.1795 41.2434 177.5047 30 Q 3.9878 8.8028 127.1504 59.5049 29.0530 178.2933 31 D 4.4469 8.5690 120.1873 57.3601 40.8318 178.8528 32 F 4.5630 8.1357 118.2364 60.6529 39.0072 177.5930 33 L 4.0268 8.0820 118.1255 58.0083 41.2414 179.0059 34 D 4.3808 8.3355 117.5595 57.6184 40.9041 178.6813 35 A 4.1201 7.9001 119.1844 54.5992 18.5943 178.6689 36 A 4.5395 8.2367 117.4320 51.5964 19.0317 178.6778 37 G 4.0078 7.6816 104.3563 46.0686 0.0000 173.8046 38 I 4.3154 7.5934 119.7858 60.3463 38.2912 175.3516 39 L 4.6677 9.0080 124.8178 52.5266 43.4842 175.8555 40 E 4.2451 8.5267 122.0826 58.1166 29.8573 176.8737 41 N 4.5488 9.4810 122.0273 53.5072 37.1959 173.8669 42 E 4.3431 8.0958 120.5485 55.3874 30.9758 175.8609 43 A 4.8125 8.7174 128.4712 52.5067 19.1513 176.7049 44 I 4.8112 8.9025 114.6842 59.2872 41.5923 173.8929 45 D 5.0886 8.9296 123.8534 52.8510 43.4333 175.4752 46 I 4.3790 8.3253 122.4850 59.0435 40.7990 174.3866 47 W 5.1545 8.6075 127.0682 54.8584 31.7551 174.7753 48 N 4.8140 9.5010 126.3090 52.9215 38.3834 175.7653 49 V 3.6741 8.6494 128.2723 66.4820 31.7883 177.8586 50 T 4.0750 8.3882 116.6172 66.0585 68.4136 174.8505 51 N 4.7942 8.3942 114.7350 51.9350 38.0656 175.6233 52 G 3.9849 8.5820 110.0384 46.0206 0.0000 174.9690 53 K 4.3446 8.3028 123.8596 55.5899 33.0585 181.8544 54 R 5.4884 8.6758 121.4754 54.2991 33.5284 174.4865 55 F 5.1608 9.1720 118.1505 55.8816 42.1622 173.1617 56 S 5.0266 8.7313 113.9576 57.2758 65.9739 174.2308 57 T 4.5678 8.7507 119.3556 61.6748 72.1137 171.6409 58 Y 5.1927 8.3444 116.2358 55.3170 42.3820 174.3252 59 A 5.1306 8.8962 122.3842 51.0006 20.8852 176.4660 60 I 5.0304 8.5762 113.8382 58.7985 41.7028 174.2632 61 A 4.7355 8.8007 124.5923 51.7153 19.3169 177.1126 62 A 4.6172 8.7228 123.9900 49.5864 22.4848 175.8295 63 E 4.0650 8.6011 119.6648 56.5191 30.5816 176.5552 64 R 4.1735 8.5018 127.2772 57.8789 30.5498 176.5697 65 G 4.0094 8.4383 114.4838 45.3145 0.0000 174.6026 66 S 4.1166 8.0892 114.5206 59.2887 63.2547 175.1077 67 R 3.7793 7.9892 118.5095 56.9055 28.2266 175.8450 68 I 4.0874 6.8298 118.0388 60.9756 38.7558 175.4168 69 I 4.5764 8.6707 127.1621 59.7354 40.0554 174.4815 70 S 5.0179 9.0173 123.5762 56.4408 64.9121 173.2189 71 V 4.4574 8.4857 129.0063 62.0105 31.7988 174.7743 72 N 5.2746 8.9834 126.0882 51.4002 41.5092 176.6190 73 G 3.9495 8.6149 107.6953 46.6900 0.0000 177.2033 74 A 3.9408 8.5841 123.8675 54.7532 18.5629 179.5938 75 A 3.6473 7.9602 117.5994 54.8270 18.5794 178.5339 76 A 4.0918 7.5178 118.3289 55.3990 18.4342 178.6901 77 H 4.2330 7.9817 111.4947 56.1377 28.0706 175.1605 *79 A 4.2753 7.7922 121.0027 52.2412 19.6155 177.0301 80 S 4.8131 8.4409 116.3540 55.9241 65.9302 174.1724 81 V 3.9019 8.0956 121.6981 64.8490 31.4795 176.3921 82 G 4.0291 9.0362 116.1614 45.0876 0.0000 173.4899 83 D 4.5869 7.9223 120.3534 54.3820 42.3521 175.4458 84 I 4.6644 9.1419 124.0482 60.6259 38.9523 175.4618 85 V 5.0639 8.9876 119.4729 59.6906 36.6303 174.2717 86 I 4.9170 8.7159 122.7035 59.6581 40.1240 174.7776 87 I 4.5876 8.3428 127.1720 59.3296 39.7387 174.6045 88 A 5.0559 8.4937 128.1892 49.9355 22.6895 174.7755 89 S 5.0442 8.4924 114.0608 56.4991 66.6165 172.9954 90 F 5.2913 8.8567 118.8122 55.9748 42.3720 174.5632 91 V 4.7077 8.9197 114.5264 59.8693 36.0889 174.4904 92 T 5.6352 8.2308 111.4985 59.9445 71.3581 173.0546 93 M 4.5040 8.0116 117.5735 53.8778 34.3407 172.2854 94 P 4.6331 0.0000 0.0000 62.7239 32.5533 176.8504 95 D 4.3630 8.9457 121.5974 57.9050 40.7602 178.8125 96 E 3.9508 8.1672 117.6234 59.5770 29.9284 178.2373 97 E 4.1938 8.1631 117.7253 59.1821 29.8455 178.8180 98 A 4.1692 8.3047 120.9558 55.2170 18.1655 179.8042 99 R 4.0905 7.9754 115.9916 58.5384 30.0986 177.6585 100 T 4.5720 7.5012 105.9792 60.6470 69.3308 173.9919 101 W 4.3740 8.0060 131.9831 57.7028 31.2285 175.4766 102 R 4.1562 6.3446 123.1903 53.2491 32.2856 173.6873 103 P 4.5943 0.0000 0.0000 62.7261 32.9097 175.6745 104 N 4.6771 9.0126 119.0369 52.1254 39.7156 174.2534 105 V 4.6441 8.2561 123.7608 60.7196 34.0896 174.3874 106 A 4.5451 8.6649 129.2243 50.2433 21.7349 174.5953 107 Y 4.9988 8.0823 118.9261 56.4272 40.9255 174.7948 108 F 5.3336 8.7212 121.5037 56.7074 43.6502 174.2033 *109 E 4.6482 8.9184 118.1028 54.1826 34.5754 177.9972 110 G 3.8106 8.7556 106.7342 48.8041 0.0000 176.5561 111 D 4.6018 8.6086 116.4703 53.7883 39.4557 175.2794 112 N 4.2471 8.0747 120.9356 53.6660 36.9547 174.5010 113 E 4.4138 8.0912 117.1925 55.7095 30.3446 176.2967 114 M 3.8949 8.4934 124.1389 54.6746 33.1533 175.9747 115 K 4.1107 8.2455 124.1638 56.7743 32.1607 176.8740 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 8.16 4.53 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 2 I 8.18 4.67 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 1.33 0.28 0.94 0.00 0.00 3 R 9.70 4.59 0.00 1.71 1.84 0.00 3.28 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 4 T 8.36 5.01 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 5 M 9.06 5.03 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 6 L 8.81 3.37 0.00 1.57 1.66 0.47 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.16 4.46 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 8 G 7.86 4.03 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 0.00 0.00 0.00 9 K 8.45 4.98 0.00 1.79 1.73 0.00 1.35 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.30 7.81 10 L 8.84 4.94 0.00 1.46 1.47 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 H 9.45 4.74 0.00 3.07 3.25 0.00 5.92 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.20 4.10 0.00 2.10 2.03 0.00 3.31 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 0.00 13 V 7.46 3.73 1.70 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 -0.82 0.00 0.00 0.75 0.00 0.00 14 K 8.97 5.02 0.00 1.47 1.57 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.23 7.81 15 V 8.72 3.92 2.26 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 1.04 0.00 0.00 0.99 0.00 0.00 16 T 9.00 4.41 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 1.38 0.00 0.00 17 H 8.02 4.93 0.00 3.06 3.17 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.55 5.29 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 *19 D 8.54 4.93 0.00 2.36 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 20 L 8.39 5.09 0.00 1.65 1.56 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 7.75 4.59 0.00 2.85 2.85 0.00 7.32 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 8.46 3.44 0.00 2.45 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 0.00 0.00 0.00 0.00 23 E 8.74 4.62 0.00 1.91 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 2.23 2.28 0.00 24 G 8.55 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 0.00 0.00 0.00 25 S 7.36 4.45 0.00 3.20 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 26 C 8.29 5.13 0.00 2.96 2.70 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 27 A 9.05 4.98 1.16 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 0.00 0.00 28 I 8.56 4.84 1.86 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 1.10 0.75 1.01 0.00 0.00 29 D 8.31 4.32 0.00 1.96 1.54 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 30 Q 8.80 3.99 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 31 D 8.57 4.45 0.00 2.85 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 32 F 8.14 4.56 0.00 3.15 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 33 L 8.08 4.03 0.00 1.88 1.96 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.34 4.38 0.00 2.88 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 35 A 7.90 4.12 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 36 A 8.24 4.54 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 37 G 7.68 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 0.00 0.00 0.00 38 I 7.59 4.32 1.88 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 1.38 0.74 0.96 0.00 0.00 39 L 9.01 4.67 0.00 1.67 1.58 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.53 4.25 0.00 1.92 1.89 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 2.33 2.47 0.00 41 N 9.48 4.55 0.00 2.89 2.93 0.00 0.00 6.98 7.55 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 42 E 8.10 4.34 0.00 2.15 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 2.28 0.00 43 A 8.72 4.81 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 44 I 8.90 4.81 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.86 0.00 0.00 45 D 8.93 5.09 0.00 2.18 2.37 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 46 I 8.33 4.38 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.25 0.67 0.00 0.00 47 W 8.61 5.15 0.00 3.34 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 48 N 9.50 4.81 0.00 2.94 3.09 0.00 0.00 6.46 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 49 V 8.65 3.67 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 0.83 0.00 0.00 0.99 0.00 0.00 50 T 8.39 4.08 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 1.27 0.00 0.00 51 N 8.39 4.79 0.00 2.82 2.91 0.00 0.00 7.16 7.05 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 52 G 8.58 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 K 8.30 4.34 0.00 1.47 1.71 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.30 7.81 54 R 8.68 5.49 0.00 1.78 2.10 0.00 3.11 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 55 F 9.17 5.16 0.00 3.06 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 56 S 8.73 5.03 0.00 3.79 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 57 T 8.75 4.57 4.41 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 1.19 0.00 0.00 58 Y 8.34 5.19 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 59 A 8.90 5.13 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 60 I 8.58 5.03 2.06 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 1.06 1.27 1.00 0.00 0.00 61 A 8.80 4.74 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 62 A 8.72 4.62 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 63 E 8.60 4.07 0.00 2.02 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 0.00 2.34 2.30 0.00 64 R 8.50 4.17 0.00 1.77 1.80 0.00 3.28 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 65 G 8.44 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 0.00 0.00 0.00 66 S 8.09 4.12 0.00 3.95 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 67 R 7.99 3.78 0.00 2.02 2.28 0.00 3.76 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 68 I 6.83 4.09 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.77 0.00 0.00 69 I 8.67 4.58 2.05 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 1.18 1.07 0.89 0.00 0.00 70 S 9.02 5.02 0.00 3.77 3.65 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 71 V 8.49 4.46 2.12 0.00 0.00 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 1.02 0.00 0.00 72 N 8.98 5.27 0.00 2.70 2.89 0.00 0.00 6.60 7.55 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 73 G 8.61 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 0.00 0.00 0.00 74 A 8.58 3.94 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 75 A 7.96 3.65 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 0.00 0.00 0.00 0.00 0.00 76 A 7.52 4.09 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 77 H 7.98 4.23 0.00 3.16 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 A 7.79 4.28 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 80 S 8.44 4.81 0.00 3.88 3.74 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 81 V 8.10 3.90 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 0.80 0.00 0.00 0.95 0.00 0.00 82 G 9.04 4.03 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 0.00 0.00 0.00 83 D 7.92 4.59 0.00 2.86 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 84 I 9.14 4.66 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.09 0.92 0.00 0.00 85 V 8.99 5.06 2.05 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 0.92 0.00 0.00 0.92 0.00 0.00 86 I 8.72 4.92 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 1.02 0.00 0.00 87 I 8.34 4.59 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.58 0.74 0.00 0.00 88 A 8.49 5.06 0.57 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 89 S 8.49 5.04 0.00 4.06 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 90 F 8.86 5.29 0.00 2.88 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 91 V 8.92 4.71 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 0.70 0.00 0.00 0.55 0.00 0.00 92 T 8.23 5.64 4.20 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 1.19 0.00 0.00 93 M 8.01 4.50 0.00 1.84 2.21 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 94 P 0.00 4.63 0.00 2.20 2.02 0.00 3.78 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 2.10 2.07 0.00 95 D 8.95 4.36 0.00 2.90 2.70 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 96 E 8.17 3.95 0.00 2.01 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 2.32 2.44 0.00 97 E 8.16 4.19 0.00 2.19 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 0.00 2.43 2.39 0.00 98 A 8.30 4.17 1.42 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 0.00 0.00 99 R 7.98 4.09 0.00 2.02 2.06 0.00 3.13 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 100 T 7.50 4.57 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 1.24 0.00 0.00 101 W 8.01 4.37 0.00 3.46 3.22 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 R 6.34 4.16 0.00 1.27 1.46 0.00 3.16 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 103 P 0.00 4.59 0.00 2.04 2.34 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 104 N 9.01 4.68 0.00 2.76 2.96 0.00 0.00 6.77 8.11 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 0.00 105 V 8.26 4.64 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 0.09 0.00 0.00 0.83 0.00 0.00 106 A 8.66 4.55 1.02 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 0.00 107 Y 8.08 5.00 0.00 2.81 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 0.00 108 F 8.72 5.33 0.00 3.07 2.84 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 0.00 0.00 0.00 0.00 *109 E 8.92 4.65 0.00 1.61 1.76 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 2.13 2.11 0.00 110 G 8.76 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 0.00 111 D 8.61 4.60 0.00 2.66 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 0.00 112 N 8.07 4.25 0.00 3.05 3.12 0.00 0.00 7.25 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 0.00 113 E 8.09 4.41 0.00 2.14 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 2.32 0.00 114 M 8.49 3.89 0.00 1.85 1.67 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.21 0.00 115 K 8.25 4.11 0.00 1.74 1.66 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.