NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 3.9681 8.2985 121.4239 56.3758 31.4031 177.1935 2 A 4.2191 7.8941 117.4816 52.3490 18.0487 175.9219 3 A 4.3562 7.9414 119.9752 53.4313 20.8450 176.0704 4 V 4.7546 7.6716 116.4518 61.3727 33.1010 175.1209 5 T 4.7613 9.0253 118.1352 60.0936 71.5614 173.0437 6 Q 5.3632 8.8386 123.7637 54.6107 31.9021 175.0555 7 S 4.6992 8.9421 116.1157 56.6119 66.0084 172.3535 8 P 4.8781 0.0000 0.0000 61.9864 32.8064 175.7896 9 R 4.2655 8.4156 118.2708 58.7963 31.3626 175.8231 10 N 5.4703 7.9155 115.5547 51.7579 42.4708 174.0914 11 K 4.6179 9.3304 124.9384 54.5079 36.2592 174.8848 12 V 4.7285 8.5285 125.9806 61.3719 33.1191 174.7043 13 A 4.7974 9.3480 130.4046 50.6099 22.0959 175.1196 14 V 4.7249 8.6822 118.9874 61.0111 34.0046 175.4604 15 T 4.1257 8.0483 123.5292 65.7604 68.7763 174.6160 16 G 4.2657 9.1268 114.5373 44.5724 0.0000 173.5815 17 E 4.0603 7.9845 121.2695 56.0916 31.0214 175.5547 18 K 4.7874 8.4640 127.0962 55.5237 33.3287 175.7047 19 V 4.3510 8.6102 127.7656 61.2947 34.3249 174.0670 20 T 4.8048 8.4700 124.2304 61.7962 70.6580 173.4117 21 L 4.6158 8.7840 127.4899 53.4275 43.6941 175.8820 22 S 5.2425 9.3478 119.9160 56.9307 66.1415 172.3628 23 C 5.4959 8.9276 121.7824 54.8919 46.8223 171.9397 24 N 5.7737 9.1927 124.7722 51.7708 41.4143 172.9139 25 Q 5.3771 9.3671 123.8237 53.0186 31.6299 175.3948 26 T 4.6558 8.4246 112.8987 61.7271 68.2447 174.6146 27 N 4.3697 8.4654 118.9830 53.8606 39.0662 175.4241 28 N 4.0755 7.8956 115.1989 54.7278 37.3844 173.0579 29 H 4.8660 7.5811 109.7843 54.5335 29.6665 175.8171 30 N 4.4950 8.8153 120.7821 55.4635 38.7355 174.5160 31 N 5.2102 8.1762 116.4223 52.0147 40.4789 174.5253 32 M 5.1612 8.1053 122.3999 53.8134 36.5510 174.1282 33 Y 5.3916 9.3403 118.3192 56.2893 43.2656 174.2353 34 W 5.3812 9.6198 122.3661 55.4852 32.1433 174.4278 35 Y 5.5115 9.9867 122.8928 56.2307 41.2300 174.9540 36 R 5.0665 9.1016 116.5627 54.5786 33.5855 174.0171 37 Q 4.8334 9.0547 121.6032 53.9630 31.5553 175.1338 38 D 4.3825 9.0271 126.2059 56.8876 41.4286 177.6938 39 T 4.2413 7.8902 113.2016 62.9916 68.6236 176.5723 40 G 4.1742 8.1912 109.0251 46.1768 0.0000 173.8247 41 H 4.5702 7.5736 113.2307 55.1642 28.3972 177.3261 42 E 3.9638 9.3511 129.8844 57.8810 30.5171 174.0772 43 L 5.0997 8.4645 126.3481 53.6812 43.0912 175.9258 44 R 4.8423 8.9774 123.5046 54.1507 33.3015 175.1196 45 L 3.9708 8.5423 125.3147 55.2906 43.0869 176.2708 46 I 4.0836 8.8078 127.0108 62.9761 38.7385 175.1209 47 Y 5.4224 7.8030 117.9348 57.0728 42.6908 173.0082 48 Y 5.4764 9.0303 119.5624 55.9721 42.5858 173.4213 49 S 4.4200 8.2570 113.4505 56.8176 65.4516 174.0960 50 Y 4.7105 8.3849 123.0140 57.1777 38.3648 175.6544 51 G 3.9718 7.1935 108.6406 43.6799 0.0000 171.3314 52 A 4.1593 8.0646 122.1682 54.1193 18.3709 177.8975 53 G 4.0148 9.0410 111.9210 45.0101 0.0000 173.5361 54 S 4.6433 7.7303 114.4591 57.9086 63.4422 173.8837 55 T 4.8497 8.2279 122.2446 62.3241 72.5264 173.0181 56 E 4.4961 9.2036 125.4045 54.0348 33.4530 175.2450 57 K 3.2423 8.6959 124.7023 56.3673 32.3650 177.4672 58 G 4.1225 8.2152 117.9438 46.7195 0.0000 174.0102 59 D 4.7077 8.6531 120.7836 55.7284 41.5168 177.5003 60 I 4.6731 7.1616 110.0186 58.7774 37.0770 173.4298 61 P 4.4851 0.0000 0.0000 64.4778 32.4252 177.2556 62 D 4.3494 7.9723 120.3605 55.8866 41.3342 176.5912 63 G 3.5972 8.7252 111.8438 45.7626 0.0000 172.0528 *65 Y 5.3020 7.2596 115.4405 58.0319 39.4232 174.2946 66 K 4.6018 8.7766 121.0560 54.8605 36.1811 174.8131 67 A 4.8187 7.6576 125.3942 50.1738 22.6708 175.3142 68 S 4.4572 8.6317 113.6217 56.8612 66.2493 172.9964 69 R 5.1436 9.0065 127.3148 53.0363 29.9802 173.5445 70 P 4.3486 0.0000 0.0000 64.2348 31.6704 176.6010 71 S 4.6605 7.5430 111.9784 56.5064 66.0858 174.3293 72 Q 4.0927 8.6569 120.9861 58.4669 29.0218 176.4838 73 E 4.4259 7.7709 112.2516 56.9335 30.2603 175.1420 74 N 5.5608 7.7908 117.4408 51.3516 40.8821 173.7418 75 F 5.6239 9.4655 126.1269 56.7695 42.5478 173.3973 76 S 5.1217 9.2337 121.8730 56.4983 66.0227 172.7559 77 L 4.5342 8.4792 124.0444 53.4350 44.3402 174.9091 78 T 4.7713 8.8003 123.3987 61.7718 71.2634 173.4624 79 L 4.7057 8.8080 126.8633 53.0941 42.6282 176.9412 80 E 3.8038 8.7828 126.3522 59.1671 30.7384 176.9163 81 S 4.7038 7.8121 114.9667 56.4698 64.4484 172.1781 82 A 4.3580 9.4626 129.2325 52.5119 19.2608 176.2764 83 T 4.7650 8.2891 111.6021 59.0045 72.0087 173.5049 84 P 4.2313 0.0000 0.0000 65.7958 31.5372 178.8568 85 S 4.2670 7.4275 111.8264 60.6322 62.9783 174.7887 86 Q 4.5201 7.9971 119.5651 56.2908 28.4229 175.5043 87 T 4.3357 7.7840 116.5578 64.0979 68.8612 173.8497 88 S 4.3915 8.5453 119.6335 57.8480 67.3026 174.4825 89 V 4.3970 7.8918 122.7114 61.8055 32.6817 173.9402 90 Y 5.0929 8.7017 126.2635 56.4178 40.3647 174.7168 91 F 5.4209 9.6102 123.0645 55.8888 42.2226 173.8808 92 C 4.5344 8.8640 123.7825 56.0484 42.5675 171.9136 93 A 5.3541 9.1129 125.4916 50.4938 22.7610 175.0488 94 S 5.3415 8.7602 113.3331 57.0419 67.2258 173.1939 95 G 4.2181 9.2062 106.2685 45.3783 0.0000 173.9836 96 G 3.9361 9.2463 111.2669 44.3097 0.0000 171.7847 97 G 3.6425 9.3119 105.6499 44.6928 0.0000 173.2407 98 G 3.6054 9.1843 116.7577 46.0977 0.0000 175.6630 *105 T 4.0013 8.6221 105.0124 61.2344 70.2300 173.3697 106 L 4.5900 7.6381 121.4771 52.9901 44.9515 175.3647 107 Y 4.5904 8.3918 119.7051 56.3120 40.4808 175.0756 108 F 5.0842 8.8795 123.1306 56.2724 40.9496 176.1976 109 G 4.1140 9.0679 109.8642 45.6258 0.0000 173.5365 110 A 4.3379 8.7285 121.9015 53.4650 18.7686 177.5395 111 G 3.9561 8.0855 101.4285 44.2435 0.0000 173.6278 112 T 4.6868 8.5108 116.5513 61.4534 71.8477 173.7979 113 R 4.3930 8.8841 127.5218 55.6986 31.4006 175.6378 114 L 5.0688 9.0169 127.4103 53.4319 44.4105 175.1887 115 S 5.0784 9.1501 122.8005 56.6980 66.0622 173.2545 116 V 4.6985 8.3373 122.5627 61.0521 33.9071 174.1099 117 L 4.5718 9.1911 130.4717 53.6849 44.0014 175.1839 118 S 4.5158 8.7193 122.8757 57.2608 63.6233 174.2530 119 S 4.2960 8.4478 118.6619 58.1781 62.3467 173.6675 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 E 8.30 3.97 0.00 1.92 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 2.57 2.47 0.00 2 A 7.89 4.22 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 3 A 7.94 4.36 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 4 V 7.67 4.75 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 0.86 0.00 0.00 1.00 0.00 0.00 5 T 9.03 4.76 4.29 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 1.24 0.00 0.00 6 Q 8.84 5.36 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 7 S 8.94 4.70 0.00 3.91 3.71 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 8 P 0.00 4.88 0.00 2.23 2.05 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 R 8.42 4.27 0.00 2.01 1.98 0.00 3.47 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 10 N 7.92 5.47 0.00 2.59 2.68 0.00 0.00 6.58 7.61 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 11 K 9.33 4.62 0.00 1.76 1.57 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.34 7.81 12 V 8.53 4.73 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.35 4.80 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 14 V 8.68 4.72 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 0.95 0.00 0.00 0.92 0.00 0.00 15 T 8.05 4.13 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 1.21 0.00 0.00 16 G 9.13 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 17 E 7.98 4.06 0.00 2.10 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 2.26 2.23 0.00 18 K 8.46 4.79 0.00 1.76 1.66 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.55 7.81 19 V 8.61 4.35 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 0.80 0.00 0.00 0.87 0.00 0.00 20 T 8.47 4.80 4.16 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 1.11 0.00 0.00 21 L 8.78 4.62 0.00 0.66 1.26 0.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.35 5.24 0.00 3.89 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 23 C 8.93 5.50 0.00 3.02 3.18 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 24 N 9.19 5.77 0.00 2.91 2.65 0.00 0.00 6.32 6.97 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 25 Q 9.37 5.38 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.20 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 26 T 8.42 4.66 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 1.20 0.00 0.00 27 N 8.47 4.37 0.00 2.71 2.24 0.00 0.00 6.70 6.69 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 28 N 7.90 4.08 0.00 2.80 2.85 0.00 0.00 7.05 7.89 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 29 H 7.58 4.87 0.00 3.35 3.33 0.00 5.72 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 30 N 8.82 4.50 0.00 2.83 3.07 0.00 0.00 7.06 6.92 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 31 N 8.18 5.21 0.00 3.00 2.73 0.00 0.00 6.67 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 32 M 8.11 5.16 0.00 1.84 1.35 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 33 Y 9.34 5.39 0.00 3.00 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 34 W 9.62 5.38 0.00 3.50 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 35 Y 9.99 5.51 0.00 3.18 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 36 R 9.10 5.07 0.00 1.26 1.50 0.00 2.73 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 37 Q 9.05 4.83 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 38 D 9.03 4.38 0.00 2.70 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 39 T 7.89 4.24 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 40 G 8.19 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 0.00 0.00 0.00 0.00 41 H 7.57 4.57 0.00 3.13 2.53 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.35 3.96 0.00 2.06 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 0.00 2.42 2.38 0.00 43 L 8.46 5.10 0.00 1.39 1.56 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.98 4.84 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 45 L 8.54 3.97 0.00 1.50 1.45 0.51 0.80 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 46 I 8.81 4.08 1.98 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 1.02 0.54 0.53 0.00 0.00 47 Y 7.80 5.42 0.00 2.91 2.93 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 48 Y 9.03 5.48 0.00 2.35 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 49 S 8.26 4.42 0.00 2.82 2.67 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 50 Y 8.38 4.71 0.00 2.99 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 51 G 7.19 3.97 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 0.00 0.00 0.00 52 A 8.06 4.16 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 53 G 9.04 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 54 S 7.73 4.64 0.00 3.96 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 55 T 8.23 4.85 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 1.32 0.00 0.00 56 E 9.20 4.50 0.00 1.16 1.12 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 0.00 1.63 1.47 0.00 57 K 8.70 3.24 0.00 1.51 1.55 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.06 1.36 7.81 58 G 8.22 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.65 4.71 0.00 2.62 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 60 I 7.16 4.67 1.97 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 1.61 0.70 0.96 0.00 0.00 61 P 0.00 4.49 0.00 2.03 1.73 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 1.95 1.86 0.00 62 D 7.97 4.35 0.00 2.71 2.67 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 63 G 8.73 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 *65 Y 7.26 5.30 0.00 3.29 2.98 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 66 K 8.78 4.60 0.00 1.74 1.46 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.16 1.31 7.81 67 A 7.66 4.82 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.46 0.00 3.81 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 69 R 9.01 5.14 0.00 2.03 1.78 0.00 3.58 0.00 0.00 2.84 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 70 P 0.00 4.35 0.00 2.24 2.18 0.00 4.18 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 71 S 7.54 4.66 0.00 4.07 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 72 Q 8.66 4.09 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 73 E 7.77 4.43 0.00 2.37 2.27 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 2.26 2.43 0.00 74 N 7.79 5.56 0.00 2.85 2.84 0.00 0.00 6.22 8.01 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 75 F 9.47 5.62 0.00 2.98 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 76 S 9.23 5.12 0.00 3.90 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 77 L 8.48 4.53 0.00 0.27 0.13 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.80 4.77 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 1.11 0.00 0.00 79 L 8.81 4.71 0.00 1.45 1.45 0.74 0.62 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 80 E 8.78 3.80 0.00 1.89 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 2.25 2.33 0.00 81 S 7.81 4.70 0.00 3.84 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 82 A 9.46 4.36 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 83 T 8.29 4.76 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 1.20 0.00 0.00 84 P 0.00 4.23 0.00 2.20 2.16 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 85 S 7.43 4.27 0.00 4.16 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 86 Q 8.00 4.52 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 87 T 7.78 4.34 4.31 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 1.29 0.00 0.00 88 S 8.55 4.39 0.00 3.71 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 89 V 7.89 4.40 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 0.27 0.00 0.00 0.89 0.00 0.00 90 Y 8.70 5.09 0.00 3.06 3.09 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 91 F 9.61 5.42 0.00 3.18 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 92 C 8.86 4.53 0.00 1.37 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 93 A 9.11 5.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.76 5.34 0.00 4.01 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 95 G 9.21 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 0.00 0.00 0.00 96 G 9.25 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 97 G 9.31 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 0.00 0.00 0.00 98 G 9.18 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 0.00 0.00 0.00 *105 T 8.62 4.00 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 1.09 0.00 0.00 106 L 7.64 4.59 0.00 0.96 0.74 0.59 0.09 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 0.00 107 Y 8.39 4.59 0.00 2.83 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 0.00 108 F 8.88 5.08 0.00 2.81 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 0.00 109 G 9.07 4.11 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 0.00 0.00 0.00 110 A 8.73 4.34 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 0.00 111 G 8.09 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 0.00 112 T 8.51 4.69 4.42 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 1.31 0.00 0.00 113 R 8.88 4.39 0.00 1.96 1.89 0.00 3.09 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 114 L 9.02 5.07 0.00 1.85 1.90 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.15 5.08 0.00 3.78 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 0.00 116 V 8.34 4.70 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 0.81 0.00 0.00 1.00 0.00 0.00 117 L 9.19 4.57 0.00 1.75 1.63 0.92 0.68 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 0.00 118 S 8.72 4.52 0.00 3.78 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 0.00 119 S 8.45 4.30 0.00 3.79 3.68 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 * Residues marked with a * may have inaccurate shift predictions.