NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 4.1274 8.2133 109.7847 45.3833 0.0000 174.6386 6 M 4.0413 8.8663 123.1355 57.6809 31.9681 177.5041 7 R 3.9830 8.4464 120.2775 59.3393 30.7569 177.7332 8 A 4.2140 7.9969 119.6252 54.0430 18.5765 179.2969 9 L 3.8946 7.6089 119.5857 58.2895 42.2833 178.5776 10 E 3.9229 8.6415 118.7746 59.7296 29.5048 179.2634 11 Q 4.0409 8.1486 117.7593 59.0848 28.8076 179.1611 12 F 4.1779 8.2244 120.6055 61.4683 39.2490 176.8749 13 A 4.1695 8.5584 120.8099 55.3825 18.0166 179.3140 14 N 4.3341 8.2160 114.7973 56.7979 38.6524 177.6137 15 E 4.0152 8.2979 119.7597 59.0305 29.4702 179.2629 16 F 3.9490 8.5547 121.3674 61.0465 39.3913 177.0420 17 K 3.7948 7.8665 118.9251 59.3469 32.0926 178.6461 18 V 3.5294 7.5239 117.9971 66.2263 31.3771 178.2393 19 R 3.8426 8.1247 117.7192 59.1869 29.9592 178.7460 20 R 3.8580 7.9831 118.8857 59.6931 29.8854 178.4876 21 I 3.6988 7.6721 119.0861 64.4927 36.9931 178.3217 22 K 3.9507 7.6774 117.7405 59.7157 31.9969 178.4158 23 L 4.4434 7.9573 115.9100 54.6816 41.5804 177.7944 24 G 3.8435 8.3193 107.4844 45.8791 0.0000 173.2079 25 Y 4.6301 7.9444 116.7527 56.9387 39.4845 175.8684 26 T 4.6339 8.2004 119.5524 62.0863 71.9625 176.0405 27 Q 3.9825 8.7137 122.7458 59.7508 28.6844 179.9403 28 T 3.9925 7.8550 116.1387 66.3919 68.6709 176.4664 29 N 4.4084 8.0840 117.9741 56.3504 38.6706 177.3485 30 V 3.2309 8.1564 119.8193 65.9651 31.5202 178.2098 31 G 3.9186 7.9601 106.6706 47.2001 0.0000 174.9649 32 E 4.0037 8.2488 120.1011 58.3568 30.0819 177.9931 33 A 4.3885 8.1099 120.3992 54.0883 18.8213 179.0404 34 L 4.1646 7.7526 116.8956 56.9806 41.2586 178.7917 35 A 4.5701 8.2991 121.5895 53.5319 18.1347 178.4093 36 A 4.3311 7.9040 117.9611 53.5581 18.7779 178.4889 37 V 4.2790 7.5268 107.4656 62.3392 34.6459 176.2257 38 H 4.4409 8.9747 118.3809 56.4521 30.0300 176.1443 39 G 3.9729 9.4521 106.0516 45.1444 0.0000 172.7882 40 S 4.5163 7.3167 112.3957 57.2196 65.8018 172.5608 41 E 4.6917 8.2659 120.0878 55.1409 31.1605 175.6521 42 F 4.9281 8.7566 121.1830 55.8096 42.2973 175.7590 43 S 4.6717 8.5927 116.0390 57.6384 64.8091 174.8756 44 Q 3.9709 8.8240 120.3308 59.6526 28.6352 178.2237 45 T 3.8676 7.9241 116.0653 67.0636 68.5182 176.0921 46 T 3.8505 7.6149 117.4058 67.1149 68.5671 176.6180 47 I 3.7187 7.6678 121.0331 64.3227 36.9963 178.1782 48 C 4.0936 8.2103 119.5699 62.5586 31.4350 175.4815 49 R 3.9060 8.5063 120.0040 59.4374 29.8357 178.6335 50 F 3.9489 8.5215 120.3346 61.4959 39.1524 177.0023 51 E 4.0521 8.1836 116.6924 59.2027 29.4014 178.3209 52 N 4.5617 8.4562 113.9534 52.3524 39.2217 174.8839 53 L 3.4344 7.2840 119.0627 56.0599 40.2009 175.4207 54 Q 4.4430 8.1217 115.4398 54.4009 27.6948 174.0392 55 L 4.6608 6.9833 116.9772 52.2281 46.6962 176.8436 56 S 4.4799 8.3091 114.5786 57.9484 65.1186 174.8942 57 F 4.1644 8.7079 124.0369 61.3928 39.1958 177.1997 58 K 3.8392 8.2102 117.5908 59.5111 31.9175 178.5403 59 N 4.1837 8.0595 116.6019 56.7465 38.8676 176.5885 60 A 4.0784 8.1458 122.3532 55.5507 18.1799 179.4471 61 C 3.8970 7.6947 114.1102 62.5672 28.3939 176.0321 62 K 3.9965 7.8163 120.0555 59.5777 31.6442 179.3106 63 L 3.6601 7.7388 119.0083 57.5624 41.3922 179.3191 64 K 3.6594 8.3664 119.5683 59.1370 31.8272 178.5612 65 A 3.9550 7.5905 120.9102 54.9472 18.7317 179.1225 66 I 3.6159 7.6123 117.6764 64.9726 37.2449 178.5122 67 L 4.0022 8.0186 119.6288 57.7252 41.3960 179.6658 68 S 4.5101 7.6984 111.9952 60.9027 62.2322 175.8959 69 K 3.9145 8.1518 122.5206 59.2730 32.0104 178.2043 70 W 4.2021 8.1897 128.4275 60.6540 30.3477 177.1524 71 L 3.6752 8.1709 118.4563 58.6121 41.6358 178.5800 72 E 4.0211 7.9927 117.2329 58.5444 29.6021 178.1915 73 E 3.9458 7.6667 118.6431 60.6695 30.2790 176.8752 74 A 4.0880 7.7353 125.2642 50.6909 20.9182 176.3104 *103 K 3.9525 7.8688 116.1852 57.0230 33.3875 175.6919 104 R 4.3434 8.2581 119.4903 54.6597 29.9763 176.8825 105 R 3.8378 8.4680 121.5794 57.1816 30.5354 176.1538 106 T 4.5025 8.4333 119.0287 61.9763 70.1208 174.0036 107 T 4.3977 8.3967 116.7068 60.2453 70.1236 173.9707 108 I 4.2434 8.1494 127.5392 59.1735 38.6355 175.9140 109 S 4.3037 8.4152 119.8616 58.6088 63.2582 174.2505 110 I 4.2698 8.1396 119.7460 61.8681 36.8017 176.7793 111 A 4.5969 8.0848 122.2461 52.6512 21.3488 178.5066 112 A 4.0092 7.8669 118.7830 55.2560 18.9705 179.5959 113 K 3.3870 8.5726 117.7350 59.5344 32.2427 177.8136 114 D 4.5319 7.9898 116.0514 53.1682 38.0713 176.8605 115 A 4.7295 7.7207 121.6529 52.0185 20.8598 178.7686 116 L 4.3187 7.3324 115.6700 56.8287 41.5632 178.4445 117 E 4.2188 7.8762 119.0491 58.8568 29.0907 178.3806 118 R 4.2054 7.8758 117.7793 58.5300 30.3538 177.3173 119 H 4.6034 7.7104 115.2943 57.7997 28.7762 177.3874 120 F 4.8773 8.0014 123.7022 60.9972 39.4157 177.0612 121 G 3.8669 7.8748 102.9662 47.8530 0.0000 175.2415 122 E 4.1206 7.4682 116.6891 57.8593 29.5085 177.1372 123 H 4.7922 8.0826 115.7570 54.7043 32.6989 173.9371 124 S 4.5935 8.6926 121.0550 58.4865 63.2144 176.3044 125 K 4.7420 7.3720 120.9777 53.8926 33.3593 177.1154 126 P 4.4365 0.0000 0.0000 62.1446 32.7336 176.7321 127 S 4.5577 8.2283 116.6316 57.5231 64.2210 175.7329 128 S 3.9866 8.5277 115.8689 61.8470 62.1125 176.3233 129 Q 3.9431 7.9945 121.6984 59.0808 28.9026 177.5246 130 E 3.8802 8.0666 120.1716 59.3520 29.7137 178.8396 131 I 3.7336 7.6000 119.3702 64.4093 37.1387 177.9703 132 M 4.0502 7.7424 118.5435 58.5427 32.0138 178.5366 133 R 3.9283 8.0763 118.3775 59.4800 30.2274 178.9503 134 M 3.9900 8.5119 118.6489 58.2462 31.9630 178.5607 135 A 3.9852 8.0040 120.8465 55.2092 18.5646 179.3650 136 E 3.9068 8.2055 117.1802 59.7421 29.4167 179.6608 137 E 4.0929 8.2645 115.9135 58.5591 29.7390 177.9872 138 L 4.4283 7.8061 117.5888 53.0156 42.2067 175.5831 139 N 4.0856 7.5211 115.7673 54.6247 37.9320 173.3406 140 L 4.7029 7.6402 115.6332 52.4953 44.6861 175.4699 141 E 4.5420 8.3692 116.9669 55.2527 31.2924 177.4226 142 K 4.2801 8.4911 124.6406 59.3710 33.2644 177.8450 143 E 4.0932 8.2597 118.1535 59.2284 29.3191 179.5822 144 V 3.7802 8.2626 113.2385 64.1394 31.7000 178.7335 145 V 3.7817 7.7921 117.6409 65.9025 31.4808 177.7547 146 R 3.9911 8.2329 118.4657 59.7709 30.0553 178.7934 147 V 3.7380 8.0576 117.7595 65.3792 31.4452 177.8854 148 W 3.9619 8.4175 128.4942 60.4182 30.7399 177.8606 149 F 4.0438 8.7857 117.7605 60.9161 38.4842 177.4271 150 C 4.2335 8.3231 116.2394 62.9797 27.9578 176.0468 151 N 4.2102 8.1451 118.0186 56.2015 37.8704 177.4212 152 R 3.1837 7.4757 119.3250 59.0510 29.9752 178.5853 153 R 4.2274 7.8056 117.5383 59.3922 30.1713 178.7887 154 Q 3.9711 7.8107 117.3686 58.9387 28.6768 178.9194 155 R 3.8016 7.7272 119.4492 59.7577 29.8347 178.2734 156 E 4.0349 7.6694 116.7300 59.2532 29.5671 178.2468 157 K 4.2774 7.6483 114.8567 56.9462 32.5007 177.4666 158 R 4.1303 7.5941 118.9091 55.4077 29.9825 176.0095 159 V 3.4752 7.7594 119.8492 64.5202 32.1150 176.1820 160 K 4.1932 7.7384 124.5299 56.4945 32.1636 176.5359 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 5 G 8.21 4.13 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 0.00 0.00 0.00 6 M 8.87 4.04 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 7 R 8.45 3.98 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 8 A 8.00 4.21 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 9 L 7.61 3.89 0.00 1.90 1.94 0.79 0.84 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 10 E 8.64 3.92 0.00 2.11 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 2.33 2.36 0.00 11 Q 8.15 4.04 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 12 F 8.22 4.18 0.00 3.27 3.26 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 13 A 8.56 4.17 1.10 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 14 N 8.22 4.33 0.00 3.00 2.88 0.00 0.00 6.98 7.97 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 15 E 8.30 4.02 0.00 1.94 1.98 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 2.53 2.49 0.00 16 F 8.55 3.95 0.00 2.39 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 17 K 7.87 3.79 0.00 1.94 1.95 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 18 V 7.52 3.53 2.23 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 0.96 0.00 0.00 1.01 0.00 0.00 19 R 8.12 3.84 0.00 1.98 1.91 0.00 3.20 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 1.63 1.72 0.00 20 R 7.98 3.86 0.00 1.21 1.82 0.00 2.85 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 0.00 21 I 7.67 3.70 1.94 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 1.53 0.40 0.92 0.00 0.00 22 K 7.68 3.95 0.00 1.90 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.71 7.81 23 L 7.96 4.44 0.00 1.95 2.05 0.92 0.72 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 24 G 8.32 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 25 Y 7.94 4.63 0.00 3.23 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 26 T 8.20 4.63 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 1.26 0.00 0.00 27 Q 8.71 3.98 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.16 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 28 T 7.86 3.99 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 1.23 0.00 0.00 29 N 8.08 4.41 0.00 3.21 3.19 0.00 0.00 6.75 7.72 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 30 V 8.16 3.23 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 -0.01 0.00 0.00 0.68 0.00 0.00 31 G 7.96 3.92 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 0.00 0.00 0.00 32 E 8.25 4.00 0.00 2.14 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 2.36 2.74 0.00 33 A 8.11 4.39 1.75 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 0.00 0.00 34 L 7.75 4.16 0.00 1.71 1.80 0.99 0.81 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 35 A 8.30 4.57 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 36 A 7.90 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 4.28 2.17 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 0.88 0.00 0.00 1.14 0.00 0.00 38 H 8.97 4.44 0.00 3.08 3.55 0.00 5.75 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 39 G 9.45 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 40 S 7.32 4.52 0.00 3.80 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 41 E 8.27 4.69 0.00 1.81 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 2.37 2.29 0.00 42 F 8.76 4.93 0.00 2.87 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 43 S 8.59 4.67 0.00 3.93 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 44 Q 8.82 3.97 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.35 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 45 T 7.92 3.87 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 1.23 0.00 0.00 46 T 7.61 3.85 4.45 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 0.89 0.00 0.00 47 I 7.67 3.72 1.99 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 1.00 0.00 0.00 48 C 8.21 4.09 0.00 3.21 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 49 R 8.51 3.91 0.00 2.03 1.99 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 50 F 8.52 3.95 0.00 2.88 2.91 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 51 E 8.18 4.05 0.00 2.35 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 0.00 2.66 2.76 0.00 52 N 8.46 4.56 0.00 2.71 2.84 0.00 0.00 7.09 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 53 L 7.28 3.43 0.00 1.75 1.67 0.84 0.42 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 54 Q 8.12 4.44 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 55 L 6.98 4.66 0.00 1.55 1.53 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.31 4.48 0.00 4.10 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 57 F 8.71 4.16 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 58 K 8.21 3.84 0.00 1.88 1.86 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.61 7.81 59 N 8.06 4.18 0.00 2.82 2.79 0.00 0.00 7.13 8.18 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 60 A 8.15 4.08 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 61 C 7.69 3.90 0.00 2.76 2.73 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 62 K 7.82 4.00 0.00 2.02 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 L 7.74 3.66 0.00 1.75 1.11 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.37 3.66 0.00 1.98 1.83 0.00 1.32 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.64 0.60 7.81 65 A 7.59 3.95 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 66 I 7.61 3.62 1.81 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 1.77 1.10 0.99 0.00 0.00 67 L 8.02 4.00 0.00 1.21 1.09 -0.90 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.70 4.51 0.00 4.07 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 69 K 8.15 3.91 0.00 2.08 1.96 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 70 W 8.19 4.20 0.00 3.45 3.37 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 71 L 8.17 3.68 0.00 2.32 2.06 1.04 1.14 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 72 E 7.99 4.02 0.00 2.07 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 2.30 2.31 0.00 73 E 7.67 3.95 0.00 2.06 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 2.21 2.26 0.00 74 A 7.74 4.09 0.19 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 *103 K 7.87 3.95 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 104 R 8.26 4.34 0.00 1.80 1.90 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 105 R 8.47 3.84 0.00 1.81 1.94 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 106 T 8.43 4.50 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 1.22 0.00 0.00 107 T 8.40 4.40 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 0.00 108 I 8.15 4.24 1.83 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 1.48 0.82 0.75 0.00 0.00 109 S 8.42 4.30 0.00 3.97 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 0.00 110 I 8.14 4.27 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.90 0.00 0.00 111 A 8.08 4.60 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 0.00 112 A 7.87 4.01 1.23 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 0.00 0.00 0.00 113 K 8.57 3.39 0.00 1.73 1.79 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.48 1.44 7.81 114 D 7.99 4.53 0.00 2.93 2.85 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 0.00 115 A 7.72 4.73 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 0.00 116 L 7.33 4.32 0.00 0.70 0.24 -0.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.88 4.22 0.00 2.35 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 2.38 2.47 0.00 118 R 7.88 4.21 0.00 1.98 1.91 0.00 3.29 0.00 0.00 3.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 119 H 7.71 4.60 0.00 3.80 3.66 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.00 4.88 0.00 3.18 3.37 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 0.00 121 G 7.87 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 0.00 0.00 0.00 122 E 7.47 4.12 0.00 2.15 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 2.43 2.57 0.00 123 H 8.08 4.79 0.00 3.25 3.14 0.00 5.80 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 0.00 124 S 8.69 4.59 0.00 3.10 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 0.00 125 K 7.37 4.74 0.00 1.75 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.02 7.81 126 P 0.00 4.44 0.00 1.70 1.82 0.00 3.23 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.94 0.00 127 S 8.23 4.56 0.00 3.84 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 0.00 128 S 8.53 3.99 0.00 3.87 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 0.00 129 Q 7.99 3.94 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 130 E 8.07 3.88 0.00 2.11 1.98 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 2.25 2.28 0.00 131 I 7.60 3.73 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.90 0.00 0.00 132 M 7.74 4.05 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 133 R 8.08 3.93 0.00 2.02 1.95 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 134 M 8.51 3.99 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.28 0.00 135 A 8.00 3.99 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 0.00 136 E 8.21 3.91 0.00 2.29 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 0.00 2.33 2.32 0.00 137 E 8.26 4.09 0.00 2.12 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 0.00 2.51 2.35 0.00 138 L 7.81 4.43 0.00 1.74 1.69 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.52 4.09 0.00 2.74 2.80 0.00 0.00 6.95 8.45 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 0.00 140 L 7.64 4.70 0.00 1.66 1.58 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.37 4.54 0.00 2.15 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 0.00 2.30 2.30 0.00 142 K 8.49 4.28 0.00 1.79 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.47 7.81 143 E 8.26 4.09 0.00 2.04 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 0.00 2.42 2.36 0.00 144 V 8.26 3.78 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 0.89 0.00 0.00 0.98 0.00 0.00 145 V 7.79 3.78 2.31 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 1.24 0.00 0.00 0.97 0.00 0.00 146 R 8.23 3.99 0.00 2.11 1.98 0.00 3.18 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 147 V 8.06 3.74 2.17 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 0.97 0.00 0.00 1.07 0.00 0.00 148 W 8.42 3.96 0.00 3.61 3.41 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 0.00 149 F 8.79 4.04 0.00 3.65 3.29 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 0.00 150 C 8.32 4.23 0.00 3.14 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 0.00 151 N 8.15 4.21 0.00 2.70 2.54 0.00 0.00 6.63 7.35 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 0.00 152 R 7.48 3.18 0.00 0.67 1.15 0.00 2.57 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 7.81 4.23 0.00 2.17 2.03 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.17 0.00 154 Q 7.81 3.97 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 155 R 7.73 3.80 0.00 1.70 1.91 0.00 2.95 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 156 E 7.67 4.03 0.00 2.14 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 0.00 2.68 2.75 0.00 157 K 7.65 4.28 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.60 7.81 158 R 7.59 4.13 0.00 1.91 1.84 0.00 3.13 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 159 V 7.76 3.48 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 0.79 0.00 0.00 0.93 0.00 0.00 160 K 7.74 4.19 0.00 1.76 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.