NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.2934 8.0276 122.4905 55.0193 44.3549 178.2703 32 E 3.9329 8.0377 116.4574 57.3654 28.9697 175.2526 33 E 4.0098 8.3102 121.1256 58.8339 30.1019 178.8195 34 Q 4.2051 8.1287 119.2323 57.9264 29.5520 176.9278 35 L 4.0462 7.9135 118.9495 56.7536 42.3267 176.8320 36 N 4.6825 7.5582 114.3924 56.0986 40.1721 176.3985 37 K 3.9490 7.6573 119.6910 59.0779 31.9667 178.9708 38 S 4.0618 8.2895 115.0966 61.5668 62.9338 176.2577 39 L 3.5173 7.9273 124.2530 57.2995 41.2714 178.6478 40 K 3.9679 8.2472 119.6978 59.1279 32.0753 178.4455 41 T 3.9349 7.6557 114.9217 65.1656 68.9949 176.5912 42 I 3.9215 8.8318 121.7172 62.8217 37.1854 177.2826 43 A 4.4333 7.7534 121.9541 53.5173 19.2979 179.1924 44 S 4.2330 7.4781 112.6058 61.2340 62.9845 176.7419 45 Q 3.9958 8.2615 121.8269 58.5157 28.3766 178.2705 46 K 4.0689 7.8255 119.0652 58.9536 32.1764 178.8223 47 A 4.0349 8.0682 121.1356 54.6311 18.5059 179.1754 48 A 3.9330 8.0952 119.3084 55.7215 18.6430 180.0170 49 I 3.7329 7.4605 116.7578 64.3142 37.2267 178.3142 50 E 3.9734 7.9241 120.4568 59.3519 29.4685 178.6729 51 N 4.3401 8.5475 116.8862 56.3912 38.5436 176.6984 52 Y 3.9688 8.1261 120.7518 61.0021 38.7711 177.9774 53 N 4.0963 7.9942 115.2829 56.3182 38.7129 177.2238 54 Q 4.1101 7.9145 119.4453 58.6553 28.8026 178.3915 55 L 3.8802 7.8957 121.3538 57.9347 41.7839 178.5968 56 K 3.7964 8.2839 118.9793 58.0768 31.7644 177.7054 57 E 4.1438 7.7079 119.3232 59.4714 29.4949 177.4394 58 D 4.4640 8.0305 118.1327 56.3200 40.8439 178.0351 59 Y 3.9702 7.7317 120.4578 60.6476 39.0957 176.5222 60 N 4.2734 7.9747 116.2904 56.8409 38.2745 177.0767 61 T 3.8506 7.5568 116.8646 66.9038 68.5153 176.3512 62 L 3.9151 7.3301 119.8398 57.6293 41.7144 179.2392 63 K 3.7691 7.5810 120.1390 59.5062 32.0290 178.4633 64 R 4.1472 8.2384 112.0241 57.1255 30.0057 176.8513 65 E 4.3826 7.5801 118.1568 57.2211 30.5637 177.4421 66 L 3.9659 8.4951 121.7520 58.2354 42.1161 178.5719 67 S 4.2758 8.3604 113.3724 61.4537 62.0083 175.6270 68 D 4.4558 7.5948 119.5824 56.4138 40.8180 178.9522 69 R 3.9292 8.2969 119.4002 59.3275 30.2671 178.6934 70 D 4.6012 8.0004 117.9197 56.9093 40.9581 178.1379 71 D 4.3234 7.6988 119.0900 57.1719 41.2294 177.7852 72 E 3.9973 8.3770 120.3329 59.0126 29.5756 178.8222 73 V 3.7987 8.2642 118.7240 65.6222 31.4754 177.7712 74 K 4.0454 7.8960 119.3537 59.1978 32.1187 178.5619 75 R 3.9132 7.8766 117.7288 59.6006 30.1584 179.0288 76 L 3.9310 8.4912 118.3082 57.9776 41.4544 179.2542 77 R 3.9727 8.5403 119.5956 59.5375 29.7421 177.8241 78 E 4.3159 8.2711 116.5556 58.7230 30.0701 177.9067 79 D 4.4243 8.0070 118.1948 56.1005 41.1391 178.1145 80 I 4.0995 7.2721 119.0742 63.6338 37.4520 177.7729 81 A 4.0421 7.4064 121.6549 55.0200 17.9808 179.5071 82 K 3.8957 8.4250 118.6451 59.4950 32.1736 178.9858 83 E 4.0280 7.9013 118.3405 59.3668 29.6151 178.4010 84 N 4.4568 8.2453 114.0687 54.9174 38.4369 175.9442 85 E 4.3136 7.7611 120.8081 58.3436 30.2606 177.2781 86 L 4.3132 7.4881 117.0651 56.0581 41.3837 178.9760 87 R 4.0149 8.5255 119.2268 58.9000 30.2618 178.7978 88 T 3.9387 7.7369 115.1162 66.5320 68.6797 176.9209 89 K 3.6505 7.8330 118.9866 59.0332 31.8521 178.5033 90 A 4.3308 7.3605 118.3290 53.0548 18.8866 178.1424 91 E 4.3780 7.5284 116.2862 57.9654 30.8619 178.1223 92 E 3.9267 8.9966 119.5908 59.4211 29.6183 178.5958 93 E 4.1619 7.9355 116.1941 57.3690 29.9502 177.4827 94 A 4.2768 7.6591 119.4454 54.6435 19.2119 178.3608 95 D 4.4632 7.8358 116.2578 56.6715 41.4292 177.6242 96 K 4.1847 7.8261 117.3085 57.8548 31.8883 176.7072 97 L 4.7111 7.6520 116.2740 55.2762 43.8074 177.6430 98 N 4.4837 8.0772 115.2755 54.5412 38.5600 176.6192 99 K 4.2662 7.7857 119.1565 57.6628 33.1115 177.7583 100 E 4.0142 8.1477 118.6458 58.1750 29.5235 178.0251 101 V 3.9388 7.1980 118.0020 64.6946 32.3991 176.9298 102 E 4.0138 7.8761 117.7532 58.1387 29.4701 177.6347 103 D 4.6393 8.1660 118.1903 55.9702 41.2129 178.5089 104 L 3.9546 7.5496 119.6546 58.0182 41.7589 179.1636 105 T 4.1704 8.1388 115.4225 66.9378 68.5832 176.2399 106 A 3.9711 7.5078 121.4127 55.2312 18.4224 179.6146 107 S 4.0259 8.5296 111.6337 61.6184 62.1859 175.9288 108 L 3.9205 9.2942 123.3168 58.3554 41.4699 178.8907 109 F 4.3475 8.2226 120.5413 61.2944 39.3677 176.7528 110 D 4.2007 8.0775 117.2846 57.2088 40.9643 177.9434 111 E 3.9331 8.4121 119.2902 59.4346 29.3868 179.2104 112 A 4.0509 7.7343 119.9669 54.6575 18.4740 179.5360 113 N 4.0918 7.5146 115.5667 56.5173 38.6395 177.2374 114 N 4.2762 8.0148 117.8142 56.1986 38.5894 176.8601 115 L 3.8742 7.8006 121.6274 58.3460 42.1305 179.0074 116 V 3.5320 8.0313 117.7436 66.2260 31.2186 177.6353 117 A 3.9270 7.5876 118.5734 55.3137 18.3559 178.6526 118 D 4.3861 8.1059 115.4043 57.6773 41.2703 178.2379 119 A 4.1360 8.2713 121.6724 54.6173 17.8421 181.3360 120 R 3.9672 8.3734 118.0662 55.3423 29.6613 178.2499 *122 E 4.0752 8.0307 114.7974 55.6609 31.9615 177.4605 123 K 3.9240 7.8889 121.0386 60.0939 32.6928 178.5894 124 Y 3.9555 7.9020 116.6461 60.3351 38.1444 177.6526 125 A 4.2652 8.2641 121.6387 54.4324 18.8913 177.8839 126 I 4.3454 7.3301 114.9128 61.9942 39.2885 177.5850 127 E 4.0096 8.1808 120.9000 58.7414 29.3959 178.4703 128 I 3.7321 8.2840 119.3901 63.6343 37.8507 177.3905 129 L 4.1046 7.3078 118.8642 57.6764 42.0835 177.5027 130 N 4.4829 7.9453 117.3292 55.6974 39.0323 176.3990 131 K 3.9622 8.3284 122.0400 58.4795 30.8244 178.4677 132 R 4.4227 7.5439 113.6061 56.6570 29.2865 177.3043 133 L 4.0618 8.2718 118.5815 55.3793 42.5251 177.7535 134 T 4.2353 7.8945 116.7411 65.9905 68.4802 176.7572 135 E 3.8464 7.9878 119.7825 58.9146 29.6947 178.5894 136 Q 4.1543 7.5968 117.5929 58.2156 28.8883 176.9400 137 L 4.4226 7.1520 117.5258 55.3358 41.6114 177.3049 138 R 4.5280 7.7201 117.7419 56.6508 32.6375 176.4902 139 E 4.2258 7.7432 114.7443 57.2436 29.8673 176.8568 140 K 4.4316 8.0589 117.9423 56.2397 32.6907 175.8135 141 D 4.9040 7.6355 117.1884 54.7538 41.3948 177.1494 *143 L 4.2996 7.9088 119.6277 53.8963 43.9102 177.1405 144 L 4.2739 7.8553 123.8946 54.9461 42.1348 175.6119 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 31 L 8.03 4.29 0.00 1.74 1.73 0.92 0.57 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 32 E 8.04 3.93 0.00 2.31 2.19 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 2.36 2.42 0.00 33 E 8.31 4.01 0.00 2.10 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 2.37 2.42 0.00 34 Q 8.13 4.21 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 35 L 7.91 4.05 0.00 1.65 1.68 0.92 0.89 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 N 7.56 4.68 0.00 3.19 2.75 0.00 0.00 6.69 6.58 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 37 K 7.66 3.95 0.00 2.00 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 S 8.29 4.06 0.00 4.08 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 0.00 39 L 7.93 3.52 0.00 1.77 1.88 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.25 3.97 0.00 1.91 1.88 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 41 T 7.66 3.93 4.34 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 1.21 0.00 0.00 42 I 8.83 3.92 1.87 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 1.63 1.41 0.91 0.00 0.00 43 A 7.75 4.43 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 44 S 7.48 4.23 0.00 3.96 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 45 Q 8.26 4.00 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 46 K 7.83 4.07 0.00 1.89 1.87 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 47 A 8.07 4.03 1.44 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 0.00 0.00 0.00 48 A 8.10 3.93 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 49 I 7.46 3.73 1.88 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 1.38 1.06 0.93 0.00 0.00 50 E 7.92 3.97 0.00 2.15 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 2.32 2.37 0.00 51 N 8.55 4.34 0.00 3.08 2.90 0.00 0.00 6.68 7.19 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 52 Y 8.13 3.97 0.00 3.07 2.97 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 53 N 7.99 4.10 0.00 2.89 2.91 0.00 0.00 7.18 7.15 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 54 Q 7.91 4.11 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 55 L 7.90 3.88 0.00 1.68 1.55 0.90 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.28 3.80 0.00 1.06 1.50 0.00 1.06 0.00 0.00 1.04 0.00 0.00 3.17 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.31 1.40 7.81 57 E 7.71 4.14 0.00 2.18 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 2.27 2.34 0.00 58 D 8.03 4.46 0.00 2.86 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 59 Y 7.73 3.97 0.00 2.94 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 60 N 7.97 4.27 0.00 2.86 2.91 0.00 0.00 7.10 6.93 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 61 T 7.56 3.85 4.40 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 1.19 0.00 0.00 62 L 7.33 3.92 0.00 1.60 1.60 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.58 3.77 0.00 1.31 1.62 0.00 1.28 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.23 7.81 64 R 8.24 4.15 0.00 1.89 2.01 0.00 3.08 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.54 0.00 65 E 7.58 4.38 0.00 2.28 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 2.19 2.26 0.00 66 L 8.50 3.97 0.00 1.74 1.77 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.36 4.28 0.00 3.90 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 68 D 7.59 4.46 0.00 2.95 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 69 R 8.30 3.93 0.00 1.86 1.95 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 70 D 8.00 4.60 0.00 2.74 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 71 D 7.70 4.32 0.00 2.92 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 72 E 8.38 4.00 0.00 2.14 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 2.29 2.30 0.00 73 V 8.26 3.80 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 0.93 0.00 0.00 0.96 0.00 0.00 74 K 7.90 4.05 0.00 1.99 1.99 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.47 7.81 75 R 7.88 3.91 0.00 2.07 1.99 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 76 L 8.49 3.93 0.00 1.63 1.70 0.92 0.78 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 77 R 8.54 3.97 0.00 2.14 1.90 0.00 3.12 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 78 E 8.27 4.32 0.00 2.24 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 0.00 2.61 2.33 0.00 79 D 8.01 4.42 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 80 I 7.27 4.10 2.05 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 1.45 0.90 0.91 0.00 0.00 81 A 7.41 4.04 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 82 K 8.42 3.90 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 83 E 7.90 4.03 0.00 2.22 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 2.39 2.56 0.00 84 N 8.25 4.46 0.00 2.66 2.88 0.00 0.00 7.00 7.21 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 85 E 7.76 4.31 0.00 2.17 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 2.24 2.33 0.00 86 L 7.49 4.31 0.00 1.70 1.68 0.92 0.91 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 87 R 8.53 4.01 0.00 1.80 1.96 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 88 T 7.74 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 1.30 0.00 0.00 89 K 7.83 3.65 0.00 1.84 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 90 A 7.36 4.33 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 91 E 7.53 4.38 0.00 2.21 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 2.24 2.59 0.00 92 E 9.00 3.93 0.00 1.89 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 2.47 0.00 93 E 7.94 4.16 0.00 1.99 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 0.00 2.32 2.25 0.00 94 A 7.66 4.28 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 95 D 7.84 4.46 0.00 2.72 2.79 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 96 K 7.83 4.18 0.00 1.90 1.81 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 97 L 7.65 4.71 0.00 1.69 1.63 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.08 4.48 0.00 2.76 2.84 0.00 0.00 6.74 7.40 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 99 K 7.79 4.27 0.00 1.75 1.83 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 100 E 8.15 4.01 0.00 2.07 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 2.38 2.43 0.00 101 V 7.20 3.94 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 1.03 0.00 0.00 0.97 0.00 0.00 102 E 7.88 4.01 0.00 2.26 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 0.00 2.29 2.33 0.00 103 D 8.17 4.64 0.00 2.75 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 0.00 104 L 7.55 3.95 0.00 1.67 1.72 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.14 4.17 4.36 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 1.14 0.00 0.00 106 A 7.51 3.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.03 0.00 3.97 3.90 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 0.00 108 L 9.29 3.92 0.00 1.83 2.01 1.00 0.91 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 0.00 109 F 8.22 4.35 0.00 3.35 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 0.00 110 D 8.08 4.20 0.00 2.90 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 0.00 111 E 8.41 3.93 0.00 2.24 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 2.49 2.48 0.00 112 A 7.73 4.05 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 0.00 113 N 7.51 4.09 0.00 2.78 2.75 0.00 0.00 6.87 6.81 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 0.00 114 N 8.01 4.28 0.00 2.85 2.84 0.00 0.00 6.70 6.90 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 0.00 115 L 7.80 3.87 0.00 1.85 1.84 0.91 0.94 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 0.00 116 V 8.03 3.53 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 0.92 0.00 0.00 0.91 0.00 0.00 117 A 7.59 3.93 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 0.00 118 D 8.11 4.39 0.00 2.69 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 0.00 119 A 8.27 4.14 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 0.00 120 R 8.37 3.97 0.00 1.83 1.96 0.00 3.39 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 1.80 1.79 0.00 *122 E 8.03 4.08 0.00 2.19 2.24 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 2.27 2.32 0.00 123 K 7.89 3.92 0.00 1.94 2.23 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.41 7.81 124 Y 7.90 3.96 0.00 3.26 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 0.00 125 A 8.26 4.27 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 0.00 126 I 7.33 4.35 2.03 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 1.18 0.81 0.90 0.00 0.00 127 E 8.18 4.01 0.00 1.99 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 128 I 8.28 3.73 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.21 1.01 0.00 0.00 129 L 7.31 4.10 0.00 1.73 1.86 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.95 4.48 0.00 2.76 2.85 0.00 0.00 7.20 6.75 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 0.00 131 K 8.33 3.96 0.00 1.77 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.28 7.81 132 R 7.54 4.42 0.00 2.16 2.25 0.00 2.73 0.00 0.00 3.17 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 133 L 8.27 4.06 0.00 1.66 1.71 0.91 1.08 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 0.00 134 T 7.89 4.24 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 1.20 0.00 0.00 135 E 7.99 3.85 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 2.39 2.35 0.00 136 Q 7.60 4.15 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 137 L 7.15 4.42 0.00 1.61 1.68 0.91 0.87 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 0.00 138 R 7.72 4.53 0.00 1.94 1.92 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 139 E 7.74 4.23 0.00 1.99 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 2.31 2.37 0.00 140 K 8.06 4.43 0.00 1.70 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 141 D 7.64 4.90 0.00 2.78 2.63 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 *143 L 7.91 4.30 0.00 1.66 1.77 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.86 4.27 0.00 1.57 1.50 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.