NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2402 8.4449 116.7528 55.7252 31.1827 175.3947 3 L 4.3651 8.1459 125.7583 51.8674 42.0587 173.9602 4 I 4.3701 8.3506 125.0895 61.0413 38.5560 175.3305 5 V 4.3824 9.0709 126.8505 61.1268 34.4374 173.7885 6 N 5.0763 8.9640 125.8391 52.1663 40.2338 174.1794 7 V 4.6935 8.5613 124.9863 61.3878 33.6146 174.3746 8 I 4.9175 9.0000 129.9606 59.6575 39.9596 174.3656 9 N 5.3729 9.4222 125.4676 51.7676 41.0438 175.5669 10 G 4.3251 9.1085 113.6131 43.8527 0.0000 170.8349 11 P 4.4029 0.0000 0.0000 64.4818 31.7357 176.6617 12 N 4.5222 9.3333 117.8943 53.6848 37.2846 175.9619 13 L 4.3116 7.5814 117.5087 56.1585 42.0555 178.3001 14 G 3.6513 7.9523 106.7407 47.7305 0.0000 174.4655 15 R 4.3238 7.7194 118.6035 55.9836 30.2638 175.8201 16 L 4.1238 7.6951 121.9977 56.5125 42.3166 177.5897 17 G 4.1895 9.4207 113.6415 45.5093 0.0000 173.2457 18 R 4.5855 7.4517 117.9963 55.7408 31.1976 176.7999 *26 G 3.9820 8.2534 107.3823 45.8344 0.0000 174.0288 27 T 3.9383 7.7768 117.3265 63.0043 68.9157 175.3463 28 T 5.1614 8.3680 118.7056 60.6353 71.4578 175.1395 29 H 4.0710 8.6004 120.1515 59.3742 29.7603 176.7987 30 D 4.3473 8.0999 120.3394 57.5274 40.7077 178.5298 31 E 3.9854 7.8916 117.9421 59.0565 29.3109 179.1671 32 L 3.8211 7.7367 120.6928 57.8207 42.0116 179.0177 33 V 3.3848 7.7208 118.0508 66.0172 31.4781 177.8394 34 A 3.9372 7.6618 120.0366 55.1676 18.3290 179.6371 35 L 3.9299 7.8912 117.4379 57.9164 41.6624 179.8609 36 I 3.6912 7.8894 119.9113 64.4143 37.0460 178.2567 37 E 3.9195 8.3508 119.7114 59.3326 29.1865 179.4950 38 R 3.8015 8.0356 118.5286 59.4999 30.1230 178.1480 39 E 3.8870 8.0744 118.5675 59.0979 29.6054 178.5981 40 A 3.9766 8.2103 120.5868 55.2701 18.4500 179.4490 41 A 4.2868 7.9084 120.5951 54.7722 18.1774 179.4704 42 E 3.9665 8.3682 117.0864 58.5329 29.7618 177.9628 43 L 4.5583 7.4317 116.7531 53.8168 42.1396 176.7653 44 G 3.8384 7.8003 106.7640 46.0410 0.0000 173.1948 45 L 4.8612 8.2657 118.6396 52.2538 46.1087 175.3992 46 K 4.6557 8.8121 121.0568 54.7344 34.5482 174.5010 47 A 4.9128 8.6271 129.6138 50.8269 20.5917 176.4946 48 V 4.0303 8.7806 123.3555 61.2163 33.0816 174.1496 49 V 4.5797 8.0499 128.0513 61.4963 32.5580 175.1629 50 R 4.5206 8.8806 126.5747 54.3261 34.3287 174.0397 51 Q 5.2343 8.5713 122.5031 54.6919 32.1543 174.0865 52 S 4.8051 8.9144 119.1086 57.3864 65.3860 173.8184 53 D 4.5296 8.8927 124.5979 55.6668 41.6476 176.9925 54 S 4.4652 7.9997 115.2410 57.0218 63.8580 174.1594 55 E 3.8795 8.6961 129.3283 59.2907 29.5793 178.5697 56 A 3.8924 7.8595 120.3914 55.1458 18.5241 179.2635 57 Q 3.3980 7.5076 116.8850 59.0232 29.0550 178.3375 58 L 4.0203 7.4565 119.6179 57.7386 41.5781 179.4626 59 L 3.8334 7.8967 118.8958 57.7379 41.5098 178.8720 60 D 4.3171 7.7970 117.8352 57.4384 41.0804 178.5937 61 W 4.4766 7.7979 118.9655 59.8666 28.9813 178.6535 62 I 3.8288 7.9675 119.9673 64.5826 36.4881 178.1927 63 H 4.2733 8.3470 117.3483 58.7883 28.4648 177.3317 64 Q 3.9888 8.4056 121.2985 59.5516 28.8111 178.7435 65 A 4.0679 8.1982 121.2099 54.8339 18.2162 179.5362 66 A 3.9504 8.0082 119.5996 55.5647 18.2860 179.6520 67 D 4.3133 7.9923 116.0356 57.1681 41.0144 178.1721 68 A 4.1919 7.8634 118.2596 51.4547 19.5122 176.6413 69 A 3.7057 7.4392 119.3936 53.3126 16.6541 176.9250 70 E 4.7920 8.1046 119.2654 54.4371 32.1106 176.1763 71 P 4.6732 0.0000 0.0000 62.9237 33.1161 175.2865 72 V 4.9128 8.5648 121.4453 61.3104 35.0347 174.1786 73 I 4.8022 9.1898 129.1214 59.7755 39.1543 174.2219 74 L 5.0822 9.1464 130.4340 53.2090 44.6736 174.5453 75 N 5.3162 9.4829 125.3074 51.0281 40.6092 174.1084 76 A 4.4859 8.6440 127.9833 51.1426 20.4068 178.1036 77 G 3.7916 7.9130 106.8735 46.9062 0.0000 177.5114 78 G 3.9141 8.6490 112.0344 47.1924 0.0000 174.5701 79 L 4.4458 7.7959 121.0294 56.4223 41.5321 178.8930 80 T 3.8582 7.6564 116.4323 66.6758 68.2030 175.1121 81 H 4.9855 7.6823 113.8138 56.2676 29.5626 175.8214 82 T 4.5492 7.8070 109.2419 61.3574 70.9967 173.2374 83 S 4.5351 8.2943 117.8799 56.8166 62.6226 174.5546 84 V 3.3179 7.9882 128.0731 65.3816 31.4839 177.4498 85 A 3.9225 7.8282 120.2398 55.1747 18.2243 179.2115 86 L 3.9017 8.0180 118.7430 58.1263 42.1507 179.0741 87 R 3.9111 7.5531 118.0715 59.6680 29.8125 178.2728 88 D 4.3670 8.1657 117.4403 57.1950 41.1192 178.3720 89 A 4.1892 7.9567 121.0319 55.5000 18.5839 179.5858 90 C 4.2022 8.2617 114.8554 62.5993 27.9012 176.1084 91 A 4.0927 7.8256 121.8292 55.0158 17.9343 179.1758 92 E 4.1379 7.9160 116.1573 58.0933 29.6497 177.9091 93 L 4.0978 7.1996 119.4469 55.0190 42.0422 177.1863 94 S 4.3180 8.7285 118.3639 60.4923 63.8889 174.7132 95 A 4.3598 7.6915 120.8917 50.4726 19.3367 175.7076 96 P 4.3912 0.0000 0.0000 63.1370 32.9365 175.1774 97 L 5.1748 8.8303 124.4488 53.3908 45.2067 174.9208 98 I 4.7493 8.7750 127.5995 59.4632 39.6591 174.3216 99 E 4.6851 8.9474 129.2197 55.5173 30.6990 175.1849 100 V 4.5786 8.9386 126.6262 61.3222 34.8370 173.7419 101 H 4.9351 8.9028 124.0372 54.1582 32.0373 174.4902 102 I 3.9461 8.6922 124.3710 64.3923 37.8290 176.8327 103 S 4.6628 7.8913 114.2121 56.7501 64.6044 173.8055 104 N 4.5140 8.3646 119.8233 52.8841 37.2613 175.7238 105 V 3.6188 8.1250 125.4730 63.9629 31.5579 177.1292 106 H 4.4263 7.8607 116.0254 56.6120 29.0796 175.5557 107 A 4.5465 7.8537 121.2057 51.9629 19.5546 177.9274 108 R 4.6543 7.2134 116.1353 56.1446 31.1244 175.9930 109 E 4.0242 8.1530 122.8936 56.9295 30.4229 177.7544 110 E 3.9529 8.5519 121.3152 59.2579 29.7451 179.3714 111 F 4.4127 7.6556 112.4138 59.0286 38.1705 176.2636 112 R 3.7641 6.9754 118.9764 57.3812 30.0572 177.2180 113 R 4.0922 7.5053 115.8231 56.5770 30.4677 175.4654 114 H 4.7998 7.9654 118.3771 54.0832 31.4816 173.2825 115 S 4.7124 7.9915 120.3346 56.5685 64.6164 173.3920 116 Y 4.2277 8.7246 125.4068 59.9393 38.3527 177.2719 117 L 4.3756 7.8373 119.6007 56.6787 41.5663 178.6247 118 S 4.2547 7.7664 116.3920 60.6731 62.6247 175.0941 119 P 4.3756 0.0000 0.0000 64.9833 31.1942 177.8161 120 I 4.1558 7.0615 106.0567 60.6077 38.3923 175.9802 121 A 4.3562 7.0571 123.2395 51.9288 19.3486 177.6989 122 T 4.0555 8.6488 117.5792 66.5469 68.9852 174.9216 123 G 4.0645 7.5525 105.8213 45.2694 0.0000 171.7473 124 V 4.9095 8.0688 118.9232 60.9765 34.5270 174.3704 125 I 4.5275 8.9239 128.6170 59.4930 39.5409 174.7848 126 V 4.5966 7.9569 125.8123 61.9724 35.0323 176.0485 127 G 4.0974 8.6747 114.3280 46.1662 0.0000 173.6949 128 L 4.5227 7.4022 117.6054 53.7612 42.6296 178.8400 129 G 3.8497 7.9417 108.4235 46.2317 0.0000 175.7758 130 I 4.0085 8.3254 118.3483 64.4394 37.0850 177.6983 131 Q 4.2390 8.2591 119.8827 58.4497 28.9181 177.9757 132 G 3.6288 7.9544 106.6671 48.2087 0.0000 175.2837 133 Y 4.0569 7.8706 118.2383 61.0406 37.9400 178.5733 134 L 4.1298 8.0065 119.4399 57.6957 41.8961 179.3853 135 L 4.0632 8.4424 119.2959 57.5970 41.3748 179.3277 136 A 4.0734 8.0467 120.7873 54.9955 18.2576 179.6732 137 L 4.0035 8.0070 117.6334 58.0728 41.5139 179.7376 138 R 3.9314 7.8442 117.4406 59.4247 30.0824 177.6051 139 Y 4.2012 7.9950 119.0835 60.6795 38.8158 178.0787 140 L 3.9514 7.9236 119.8149 57.6233 41.5671 179.2096 141 A 4.0847 8.0871 119.4994 54.1255 18.3629 178.1749 142 E 4.2783 7.4971 115.8995 56.6113 30.2034 175.4125 143 H 4.2863 7.6697 120.2638 56.3285 29.3288 173.3182 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 2 E 8.44 4.24 0.00 2.01 1.84 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 2.13 1.91 0.00 3 L 8.15 4.37 0.00 1.67 1.65 0.91 0.58 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 4 I 8.35 4.37 2.02 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 1.22 0.33 0.93 0.00 0.00 5 V 9.07 4.38 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 1.09 0.00 0.00 0.94 0.00 0.00 6 N 8.96 5.08 0.00 2.80 2.68 0.00 0.00 6.09 7.12 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 7 V 8.56 4.69 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 1.10 0.00 0.00 0.95 0.00 0.00 8 I 9.00 4.92 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 1.15 0.00 0.00 9 N 9.42 5.37 0.00 2.68 2.80 0.00 0.00 6.42 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 10 G 9.11 4.33 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 0.00 0.00 0.00 11 P 0.00 4.40 0.00 2.08 2.04 0.00 4.00 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 2.32 0.00 12 N 9.33 4.52 0.00 2.99 3.03 0.00 0.00 6.87 6.03 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 13 L 7.58 4.31 0.00 1.85 1.80 1.20 0.96 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 14 G 7.95 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 0.00 0.00 0.00 15 R 7.72 4.32 0.00 1.98 1.96 0.00 3.31 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 16 L 7.70 4.12 0.00 2.01 1.58 0.98 1.15 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 17 G 9.42 4.19 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 0.00 18 R 7.45 4.59 0.00 1.86 1.88 0.00 3.26 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 *26 G 8.25 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 27 T 7.78 3.94 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 1.18 0.00 0.00 28 T 8.37 5.16 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 1.26 0.00 0.00 29 H 8.60 4.07 0.00 3.20 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.10 4.35 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 3.99 0.00 2.19 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 2.31 2.30 0.00 32 L 7.74 3.82 0.00 1.72 1.62 0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.72 3.38 2.16 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 1.01 0.00 0.00 0.88 0.00 0.00 34 A 7.66 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 35 L 7.89 3.93 0.00 1.81 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.89 3.69 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.55 0.88 0.00 0.00 37 E 8.35 3.92 0.00 2.16 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 2.29 2.35 0.00 38 R 8.04 3.80 0.00 1.97 2.04 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.07 3.89 0.00 2.23 1.94 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 2.33 2.39 0.00 40 A 8.21 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 41 A 7.91 4.29 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 42 E 8.37 3.97 0.00 2.13 2.15 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 2.32 2.39 0.00 43 L 7.43 4.56 0.00 1.75 1.68 0.97 0.91 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 44 G 7.80 3.84 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 0.00 0.00 0.00 45 L 8.27 4.86 0.00 1.62 1.54 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.81 4.66 0.00 1.78 1.62 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.63 4.91 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 48 V 8.78 4.03 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 0.75 0.00 0.00 0.87 0.00 0.00 49 V 8.05 4.58 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 0.68 0.00 0.00 0.82 0.00 0.00 50 R 8.88 4.52 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.66 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 0.00 51 Q 8.57 5.23 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.08 0.00 52 S 8.91 4.81 0.00 3.95 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.89 4.53 0.00 2.71 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 54 S 8.00 4.47 0.00 3.82 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 55 E 8.70 3.88 0.00 2.04 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 2.33 2.35 0.00 56 A 7.86 3.89 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 57 Q 7.51 3.40 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 58 L 7.46 4.02 0.00 1.88 1.75 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.90 3.83 0.00 1.76 1.58 0.89 0.76 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 60 D 7.80 4.32 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.80 4.48 0.00 3.67 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 62 I 7.97 3.83 1.94 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 1.86 0.83 0.96 0.00 0.00 63 H 8.35 4.27 0.00 3.37 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.41 3.99 0.00 2.55 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 65 A 8.20 4.07 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 66 A 8.01 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.31 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.86 4.19 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 69 A 7.44 3.71 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 70 E 8.10 4.79 0.00 1.85 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 2.26 2.44 0.00 71 P 0.00 4.67 0.00 2.10 2.01 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.56 4.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.97 0.00 0.00 73 I 9.19 4.80 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.99 0.00 0.00 74 L 9.15 5.08 0.00 1.71 1.50 1.03 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.48 5.32 0.00 2.79 3.05 0.00 0.00 6.92 7.67 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 76 A 8.64 4.49 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 77 G 7.91 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 0.00 0.00 0.00 78 G 8.65 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 0.00 0.00 0.00 79 L 7.80 4.45 0.00 1.90 1.74 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.66 3.86 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 1.24 0.00 0.00 81 H 7.68 4.99 0.00 3.33 3.48 0.00 5.59 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 82 T 7.81 4.55 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 1.35 0.00 0.00 83 S 8.29 4.54 0.00 3.85 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 84 V 7.99 3.32 1.86 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 0.95 0.00 0.00 0.24 0.00 0.00 85 A 7.83 3.92 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 86 L 8.02 3.90 0.00 1.76 1.66 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.55 3.91 0.00 2.10 2.10 0.00 3.34 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 88 D 8.17 4.37 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.96 4.19 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 90 C 8.26 4.20 0.00 3.17 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 91 A 7.83 4.09 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 92 E 7.92 4.14 0.00 2.27 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 2.36 2.37 0.00 93 L 7.20 4.10 0.00 1.78 1.65 0.98 0.73 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 94 S 8.73 4.32 0.00 3.99 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 95 A 7.69 4.36 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 96 P 0.00 4.39 0.00 2.19 2.15 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 97 L 8.83 5.17 0.00 1.76 1.49 1.01 0.74 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 98 I 8.78 4.75 1.84 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 1.14 0.76 0.79 0.00 0.00 99 E 8.95 4.69 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 100 V 8.94 4.58 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 0.12 0.00 0.00 0.66 0.00 0.00 101 H 8.90 4.94 0.00 3.01 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.69 3.95 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.96 0.00 0.00 103 S 7.89 4.66 0.00 3.97 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 0.00 104 N 8.36 4.51 0.00 2.74 2.76 0.00 0.00 6.62 7.71 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 0.00 105 V 8.12 3.62 1.85 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 0.45 0.00 0.00 0.85 0.00 0.00 106 H 7.86 4.43 0.00 3.24 3.34 0.00 5.64 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 0.00 107 A 7.85 4.55 1.25 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 0.00 0.00 0.00 108 R 7.21 4.65 0.00 1.61 1.56 0.00 3.17 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 109 E 8.15 4.02 0.00 1.16 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 2.35 2.26 0.00 110 E 8.55 3.95 0.00 2.11 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 2.40 1.87 0.00 111 F 7.66 4.41 0.00 3.04 3.19 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 0.00 112 R 6.98 3.76 0.00 1.67 1.79 0.00 2.93 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.00 113 R 7.51 4.09 0.00 1.94 1.97 0.00 3.09 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 114 H 7.97 4.80 0.00 3.00 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.99 4.71 0.00 3.76 3.61 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 0.00 116 Y 8.72 4.23 0.00 3.15 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.84 4.38 0.00 1.81 1.71 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.77 4.25 0.00 3.87 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 0.00 119 P 0.00 4.38 0.00 2.04 2.13 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 120 I 7.06 4.16 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.94 0.00 0.00 121 A 7.06 4.36 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 0.00 122 T 8.65 4.06 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 123 G 7.55 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 0.00 0.00 0.00 124 V 8.07 4.91 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 0.94 0.00 0.00 0.97 0.00 0.00 125 I 8.92 4.53 1.76 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 1.03 0.48 0.85 0.00 0.00 126 V 7.96 4.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 127 G 8.67 4.10 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 0.00 128 L 7.40 4.52 0.00 1.44 1.67 0.90 0.83 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 0.00 129 G 7.94 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 0.00 0.00 0.00 130 I 8.33 4.01 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.96 0.00 0.00 131 Q 8.26 4.24 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.95 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.87 4.06 0.00 3.20 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 0.00 134 L 8.01 4.13 0.00 1.83 1.75 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.44 4.06 0.00 1.67 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.05 4.07 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 0.00 137 L 8.01 4.00 0.00 2.01 1.76 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.84 3.93 0.00 1.99 2.15 0.00 3.29 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 Y 7.99 4.20 0.00 3.14 3.14 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 0.00 140 L 7.92 3.95 0.00 1.88 1.72 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.09 4.08 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 0.00 142 E 7.50 4.28 0.00 2.03 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 2.20 2.26 0.00 143 H 7.67 4.29 0.00 2.84 2.98 0.00 5.93 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 * Residues marked with a * may have inaccurate shift predictions.