NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3421 0.0000 0.0000 62.0451 33.4058 175.9137 5 V 4.0518 7.5110 118.0937 59.6585 33.6218 172.8463 6 N 4.3049 9.6660 127.5949 53.5251 40.0132 173.3842 7 P 4.2861 0.0000 0.0000 65.0357 31.8635 176.7356 8 D 4.6848 8.9300 117.1462 54.2803 41.3645 177.5670 9 L 4.0097 7.5815 119.9190 55.5474 41.6244 176.3818 *11 P 4.2909 0.0000 0.0000 62.2973 33.5128 177.7901 12 A 4.1689 8.0749 120.8788 55.4304 18.4980 181.0502 13 L 3.9358 8.2094 114.1905 55.2705 41.2926 179.3716 *15 A 4.2785 8.2001 122.9037 52.3533 20.5222 180.1137 16 V 3.6106 7.7448 114.9468 65.9623 31.3756 177.8829 17 F 3.9957 8.4292 120.4285 61.4925 39.3114 176.9551 18 Q 3.9379 8.2710 118.6244 59.2685 28.8820 177.4645 19 H 4.0711 8.3416 119.3796 59.1293 29.8914 177.4229 20 V 3.2814 7.6917 119.9982 65.9666 31.3497 177.8619 21 R 3.6272 7.6749 118.5163 59.6889 29.7027 178.6649 22 T 3.8302 7.8453 115.4287 66.6440 68.4279 177.1171 23 R 3.8173 7.7501 120.0067 59.1224 29.9689 179.2904 24 I 3.6254 7.8048 119.7704 64.2468 37.0488 178.2020 25 Q 3.8762 7.9070 120.4013 59.1967 28.8572 178.0152 26 S 4.0377 8.1831 114.3912 61.5405 62.3394 175.9009 27 E 3.8764 8.2933 121.7798 59.3631 29.4488 178.7939 28 L 3.9886 8.3092 119.4012 57.6788 41.4903 179.3848 29 D 4.3078 8.4560 119.4754 57.4501 40.6160 178.0619 30 C 4.0075 7.9782 118.0573 62.5687 31.6020 174.9724 31 Q 4.2299 7.9248 116.4067 55.2767 28.7900 175.8326 32 R 3.8852 7.9994 118.3955 57.2170 28.1805 177.5398 33 L 4.0324 8.0275 118.8142 55.4967 42.3432 176.7643 34 D 4.3756 8.0842 116.4630 55.3872 39.1879 172.5152 35 L 4.9990 7.5369 115.8005 53.3210 46.1540 176.5386 36 T 4.8045 9.0051 117.6519 61.1342 70.8108 174.1470 37 P 4.1950 0.0000 0.0000 66.1398 30.8660 177.0189 38 P 4.3753 0.0000 0.0000 65.2286 31.2365 178.2900 39 D 4.3714 8.3050 118.3211 57.2504 40.7440 178.7784 40 V 3.6079 7.7053 118.3175 66.4066 31.5486 177.4382 41 H 4.3090 8.2600 117.9416 59.1656 29.6758 177.4995 42 V 3.5633 7.8334 120.2675 65.9722 31.4120 178.1230 43 L 4.0368 7.9891 118.7574 57.2503 41.2878 179.5021 44 K 3.8862 7.9487 119.7605 59.5229 32.2005 178.8391 45 L 3.9790 7.9047 119.2046 57.9800 41.3286 179.6705 46 I 3.6131 7.5096 118.4969 64.4057 37.0875 177.7212 47 D 4.4299 7.9175 117.8721 56.8050 41.1222 177.5177 48 E 4.3022 8.4044 118.1776 57.0910 31.1233 176.4715 49 Q 4.6018 7.9947 117.4445 54.0790 29.2223 175.8194 50 R 3.9225 7.7896 115.1262 58.4512 30.6536 177.6531 51 G 3.3866 8.1518 112.0650 44.3533 0.0000 173.2402 52 L 3.9596 7.5201 120.3801 55.9015 41.0013 176.2556 53 N 5.2132 8.5267 119.2698 51.8287 41.4602 176.0431 54 L 4.0382 9.0897 123.4497 57.5213 41.6930 179.6012 55 Q 3.9445 8.2656 119.2501 59.3063 29.0462 178.0546 56 D 4.3373 7.9952 119.2410 57.4037 40.7486 178.5003 57 L 4.0483 7.5566 117.8407 57.6401 41.8120 179.5255 58 G 3.7988 8.2581 105.7283 47.9025 0.0000 175.4713 59 R 3.9472 7.5158 119.8437 59.0185 30.2174 180.4731 60 Q 4.2279 7.5999 115.3477 56.0322 28.7682 176.5619 *62 C 4.4595 7.9475 115.0013 59.6074 29.9016 173.8508 63 R 4.6554 8.1371 118.6187 53.9842 32.6280 175.7808 64 D 4.6553 8.3045 121.4711 52.2869 41.8686 177.2542 65 K 3.7402 8.6150 119.7226 59.8790 31.8708 177.7009 66 A 3.9705 8.2170 120.0581 55.5574 18.0872 179.2839 67 L 3.8927 7.9667 115.9505 58.0218 41.8920 179.4541 68 I 3.6740 7.6721 119.5215 64.9476 37.0294 178.5561 69 T 3.7782 8.2133 116.4977 66.5465 68.2255 176.4159 70 R 3.8398 8.0550 120.6586 59.5027 30.0583 178.2768 71 K 3.8958 8.3280 119.4866 59.7098 32.1725 178.7681 72 I 3.7111 8.1765 120.3807 64.4480 37.0230 178.6855 73 R 4.7488 8.2785 120.5803 58.5632 29.5182 178.7973 74 E 3.9249 7.9039 119.1547 59.2636 29.6048 178.8518 75 L 4.0504 7.9484 118.8854 57.4691 41.6336 179.3314 76 E 4.4489 7.7654 120.5399 58.6954 29.1989 179.2842 77 G 3.7858 7.8873 104.8341 47.2758 0.0000 174.7966 78 R 4.4434 7.3258 117.6599 54.5643 31.0428 175.7824 79 N 4.2122 8.4225 115.9447 55.1076 38.0720 174.4273 80 L 4.6888 8.2584 117.3108 54.9105 44.8182 177.8818 81 V 5.1109 7.7181 117.5531 60.8482 35.3193 174.3929 82 R 4.8699 8.9116 122.0714 54.5863 32.6364 175.0328 83 R 4.8648 8.5305 119.6839 55.5626 32.7680 175.6820 84 E 4.6976 8.9175 120.6734 55.2935 33.1211 174.5335 85 R 3.3404 8.8512 126.7719 56.6612 30.0965 175.8703 86 N 4.2680 9.1762 124.6341 56.3170 39.3043 175.9635 *91 R 4.1472 7.4052 120.0246 56.1148 32.5402 177.1354 92 S 4.5403 7.4156 110.7782 57.8404 65.5472 172.0666 93 F 5.1332 8.7420 117.9664 56.4784 41.2058 175.0977 94 Q 4.9315 9.2101 118.5161 54.2285 32.7250 174.6869 95 L 4.9454 8.1954 121.4307 53.1851 44.8245 175.6501 96 F 5.1776 8.5857 119.9577 55.9261 43.8639 173.7305 97 L 5.0472 8.6285 120.8098 54.2734 43.1570 176.8162 98 T 4.3571 8.4309 113.0365 60.7945 70.9787 175.4483 99 D 4.3485 8.7677 120.6549 57.6720 40.6076 178.7594 100 E 4.1081 8.2363 119.3940 59.0296 29.6779 178.8998 101 G 3.5993 8.1135 106.0964 47.5242 0.0000 175.5469 102 L 3.9974 8.3105 122.7322 57.8559 42.2227 178.7904 103 A 3.9902 8.0696 120.7189 55.2595 18.2818 179.7035 104 I 3.6441 8.0606 118.4155 64.8373 37.2153 178.0290 105 H 4.1392 8.6391 119.4337 59.4146 29.5007 177.0536 106 Q 3.9150 8.8523 120.6610 59.4832 28.4074 178.6300 107 H 4.2409 8.0166 117.1936 58.9234 29.9543 176.9363 108 A 4.0836 8.0607 122.8831 55.2893 18.0695 179.4949 109 E 3.8961 8.0518 115.5172 59.4334 29.8200 179.1976 110 A 4.2090 7.8414 120.9983 54.9039 18.3585 179.6120 111 I 4.0426 7.3072 116.7580 61.9409 37.1264 178.1508 *113 S 4.3621 8.0287 116.3376 58.4223 64.2560 175.7018 114 R 3.8911 7.8728 119.3271 59.4226 29.8706 178.5985 115 V 3.5035 7.7741 118.0145 66.4410 31.4368 177.7648 116 H 3.9968 8.1340 115.3633 58.6639 28.7005 177.3114 117 D 4.4704 8.6128 121.3235 57.2888 40.3614 178.4650 118 E 3.9342 7.9170 119.2314 58.9803 29.7015 178.3011 119 L 3.9027 7.2684 119.0870 57.9678 42.3825 178.4474 120 F 4.7426 8.1284 116.5711 58.8715 38.9321 177.5842 121 A 4.0435 7.9056 120.7579 54.7853 18.1887 176.9877 122 P 4.3647 0.0000 0.0000 64.5466 31.8172 176.4426 123 L 4.5302 7.8804 120.3892 54.0268 42.6420 177.4374 124 T 4.1783 9.0813 114.0992 60.9643 70.9469 174.0054 125 P 4.4359 0.0000 0.0000 65.6145 31.2712 179.2563 126 V 3.6165 7.6771 116.8386 65.9479 31.5200 177.8071 127 E 4.0104 8.1980 118.3799 59.4425 29.2797 179.3160 128 Q 3.8954 8.7193 118.3039 58.8002 28.8211 178.7815 129 A 3.9589 7.8377 121.5677 55.4697 18.4734 179.7639 130 T 3.8311 7.9718 114.2852 66.5852 68.4097 176.5706 131 L 3.9195 8.1307 122.3991 58.2131 42.1706 179.1118 132 V 3.4905 7.7149 118.1276 66.3685 31.3146 177.4891 133 H 4.2336 8.1831 117.7128 59.2158 29.5708 177.3069 134 L 3.9160 8.0863 120.9165 57.6163 41.1847 179.4526 135 L 4.0150 7.9648 118.5178 57.8602 41.4441 178.9349 136 D 4.4846 8.1693 118.8930 57.4578 40.2098 178.7006 137 Q 4.0474 8.2073 118.7876 59.1643 28.3899 178.9861 138 C 4.2862 7.6496 117.1526 62.7407 28.2598 174.8072 139 L 3.8584 7.2479 117.9267 56.5625 41.5613 178.6692 140 A 3.5290 7.6117 119.9915 52.4494 17.9651 177.1512 141 A 4.0671 8.5803 117.7724 53.0821 18.7394 177.6766 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 P 0.00 4.34 0.00 2.19 2.25 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 1.88 1.96 0.00 5 V 7.51 4.05 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 0.79 0.00 0.00 0.93 0.00 0.00 6 N 9.67 4.30 0.00 2.76 2.70 0.00 0.00 7.18 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 7 P 0.00 4.29 0.00 2.08 2.10 0.00 3.72 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 2.02 2.10 0.00 8 D 8.93 4.68 0.00 2.78 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 9 L 7.58 4.01 0.00 1.71 1.62 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *11 P 0.00 4.29 0.00 2.11 2.14 0.00 3.80 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 2.09 2.09 0.00 12 A 8.07 4.17 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 13 L 8.21 3.94 0.00 1.72 1.73 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.20 4.28 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 16 V 7.74 3.61 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 0.99 0.00 0.00 1.01 0.00 0.00 17 F 8.43 4.00 0.00 3.31 3.07 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 18 Q 8.27 3.94 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 19 H 8.34 4.07 0.00 3.26 3.40 0.00 5.84 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 20 V 7.69 3.28 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 0.69 0.00 0.00 0.75 0.00 0.00 21 R 7.67 3.63 0.00 1.30 1.79 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 22 T 7.85 3.83 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 1.16 0.00 0.00 23 R 7.75 3.82 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 24 I 7.80 3.63 1.77 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 1.33 0.65 0.86 0.00 0.00 25 Q 7.91 3.88 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 26 S 8.18 4.04 0.00 3.95 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 27 E 8.29 3.88 0.00 2.29 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 2.27 2.37 0.00 28 L 8.31 3.99 0.00 1.80 1.67 0.96 0.93 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 29 D 8.46 4.31 0.00 2.80 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 30 C 7.98 4.01 0.00 3.04 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 31 Q 7.92 4.23 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 32 R 8.00 3.89 0.00 1.93 2.01 0.00 3.16 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 33 L 8.03 4.03 0.00 1.61 1.70 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.08 4.38 0.00 2.76 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 35 L 7.54 5.00 0.00 1.60 1.49 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.01 4.80 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 1.22 0.00 0.00 37 P 0.00 4.20 0.00 2.22 2.27 0.00 3.75 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 2.07 2.03 0.00 38 P 0.00 4.38 0.00 2.21 2.18 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 39 D 8.31 4.37 0.00 2.85 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 40 V 7.71 3.61 2.32 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 1.05 0.00 0.00 0.95 0.00 0.00 41 H 8.26 4.31 0.00 3.27 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.83 3.56 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 0.95 0.00 0.00 0.93 0.00 0.00 43 L 7.99 4.04 0.00 1.93 1.71 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.95 3.89 0.00 2.08 2.07 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.65 1.58 7.81 45 L 7.90 3.98 0.00 1.70 1.67 0.81 0.75 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 46 I 7.51 3.61 1.82 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 1.34 0.58 0.85 0.00 0.00 47 D 7.92 4.43 0.00 2.53 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 48 E 8.40 4.30 0.00 1.95 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 2.34 2.56 0.00 49 Q 7.99 4.60 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 50 R 7.79 3.92 0.00 1.82 2.07 0.00 3.29 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 51 G 8.15 3.39 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 0.00 52 L 7.52 3.96 0.00 1.78 1.92 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.53 5.21 0.00 2.79 2.82 0.00 0.00 7.13 6.25 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 54 L 9.09 4.04 0.00 1.72 1.70 0.91 1.27 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 55 Q 8.27 3.94 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 56 D 8.00 4.34 0.00 2.82 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 57 L 7.56 4.05 0.00 1.75 1.70 0.88 1.12 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 58 G 8.26 3.80 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 0.00 0.00 0.00 59 R 7.52 3.95 0.00 1.85 2.12 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 60 Q 7.60 4.23 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 *62 C 7.95 4.46 0.00 2.99 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 63 R 8.14 4.66 0.00 1.76 1.77 0.00 3.28 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 64 D 8.30 4.66 0.00 2.86 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 65 K 8.61 3.74 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 66 A 8.22 3.97 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 67 L 7.97 3.89 0.00 1.69 1.72 0.92 0.77 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 68 I 7.67 3.67 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 1.63 0.85 0.89 0.00 0.00 69 T 8.21 3.78 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 1.16 0.00 0.00 70 R 8.06 3.84 0.00 2.01 2.03 0.00 3.09 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 1.64 0.00 71 K 8.33 3.90 0.00 1.87 1.95 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.52 7.81 72 I 8.18 3.71 1.93 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 1.68 0.72 0.89 0.00 0.00 73 R 8.28 4.75 0.00 1.94 1.94 0.00 3.09 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 74 E 7.90 3.92 0.00 1.99 2.13 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 2.30 2.34 0.00 75 L 7.95 4.05 0.00 1.74 1.70 0.91 0.97 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 76 E 7.77 4.45 0.00 2.00 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 2.43 2.44 0.00 77 G 7.89 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 R 7.33 4.44 0.00 1.78 1.95 0.00 3.32 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 79 N 8.42 4.21 0.00 2.73 2.82 0.00 0.00 6.93 8.10 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 80 L 8.26 4.69 0.00 1.75 1.67 0.93 1.01 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 81 V 7.72 5.11 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 1.11 0.00 0.00 0.93 0.00 0.00 82 R 8.91 4.87 0.00 1.97 2.02 0.00 2.83 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 83 R 8.53 4.86 0.00 1.75 2.13 0.00 2.75 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 1.48 1.77 0.00 84 E 8.92 4.70 0.00 2.35 2.36 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 2.45 2.46 0.00 85 R 8.85 3.34 0.00 1.65 1.70 0.00 3.21 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.58 0.00 86 N 9.18 4.27 0.00 2.69 2.75 0.00 0.00 7.14 7.64 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 *91 R 7.41 4.15 0.00 1.77 1.89 0.00 3.28 0.00 0.00 3.25 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 92 S 7.42 4.54 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 93 F 8.74 5.13 0.00 3.05 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 94 Q 9.21 4.93 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 95 L 8.20 4.95 0.00 1.41 1.44 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.59 5.18 0.00 2.96 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 97 L 8.63 5.05 0.00 1.55 1.63 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.43 4.36 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 99 D 8.77 4.35 0.00 2.72 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 0.00 100 E 8.24 4.11 0.00 2.04 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 0.00 2.39 2.39 0.00 101 G 8.11 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 0.00 102 L 8.31 4.00 0.00 1.93 1.85 0.97 1.42 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 0.00 103 A 8.07 3.99 1.41 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 0.00 0.00 0.00 104 I 8.06 3.64 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.94 0.00 0.00 105 H 8.64 4.14 0.00 3.26 3.58 0.00 5.79 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 0.00 106 Q 8.85 3.92 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 107 H 8.02 4.24 0.00 3.25 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.06 4.08 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 0.00 109 E 8.05 3.90 0.00 2.00 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 2.22 2.36 0.00 110 A 7.84 4.21 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 0.00 111 I 7.31 4.04 2.03 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.87 0.00 0.00 *113 S 8.03 4.36 0.00 3.89 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 0.00 114 R 7.87 3.89 0.00 2.04 2.04 0.00 3.15 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 1.61 1.63 0.00 115 V 7.77 3.50 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 0.80 0.00 0.00 0.90 0.00 0.00 116 H 8.13 4.00 0.00 3.24 3.45 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 0.00 117 D 8.61 4.47 0.00 2.81 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 0.00 118 E 7.92 3.93 0.00 1.96 2.20 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 2.28 2.29 0.00 119 L 7.27 3.90 0.00 1.35 1.15 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.13 4.74 0.00 3.19 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 0.00 121 A 7.91 4.04 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 0.00 122 P 0.00 4.36 0.00 2.21 2.20 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 123 L 7.88 4.53 0.00 1.82 1.67 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 124 T 9.08 4.18 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 1.25 0.00 0.00 125 P 0.00 4.44 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 126 V 7.68 3.62 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 1.07 0.00 0.00 0.93 0.00 0.00 127 E 8.20 4.01 0.00 2.31 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 0.00 2.34 2.36 0.00 128 Q 8.72 3.90 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 129 A 7.84 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 0.00 130 T 7.97 3.83 4.39 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 1.23 0.00 0.00 131 L 8.13 3.92 0.00 1.88 1.68 0.92 1.19 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 0.00 132 V 7.71 3.49 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 0.90 0.00 0.00 0.92 0.00 0.00 133 H 8.18 4.23 0.00 3.26 3.43 0.00 5.66 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 0.00 134 L 8.09 3.92 0.00 1.88 1.69 0.93 0.39 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 0.00 135 L 7.96 4.02 0.00 1.76 1.73 0.92 1.38 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 0.00 136 D 8.17 4.48 0.00 2.84 2.71 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 0.00 137 Q 8.21 4.05 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 138 C 7.65 4.29 0.00 3.05 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 0.00 139 L 7.25 3.86 0.00 1.83 1.77 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.61 3.53 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 0.00 141 A 8.58 4.07 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 * Residues marked with a * may have inaccurate shift predictions.