NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4258 8.1844 120.6387 55.0157 43.1405 175.1782 8 H 4.7433 8.4468 118.5868 54.3106 32.4660 171.0760 9 K 4.6379 9.3171 126.4380 55.8985 33.8741 175.6100 10 E 4.8470 8.9642 122.4148 53.8247 33.6734 173.7380 11 P 4.9267 0.0000 0.0000 63.0343 32.2771 175.1493 12 A 4.8744 8.4675 122.9223 51.1660 23.2040 175.5738 13 T 4.5847 8.4201 114.4975 61.3175 72.0332 173.9088 14 L 4.1668 8.7771 128.9536 56.0469 42.2269 175.5440 15 I 4.3511 8.6418 126.7842 62.2161 38.3821 176.0544 16 K 4.4150 7.6654 119.8139 55.0205 35.0824 174.7847 17 A 4.3349 8.5652 129.4046 51.9810 19.3874 176.2689 18 I 4.2719 8.3499 123.6153 62.4168 38.4980 175.5193 19 D 4.5936 8.0811 118.3743 52.4766 41.5583 175.3938 20 G 3.9701 8.9894 106.7683 48.1465 0.0000 173.8340 21 D 4.9282 7.8218 113.2130 52.8574 40.5266 175.0090 22 T 5.9132 7.6906 115.5872 60.7935 73.3170 172.9246 *24 K 4.7328 8.3578 121.2195 56.5985 33.8930 175.0536 25 L 5.2612 9.6250 124.1356 53.0781 46.5246 175.5728 26 M 4.8461 9.1644 122.5784 55.0598 33.2018 174.0967 27 Y 5.0867 9.4856 128.9539 56.2026 41.7897 175.8026 28 K 3.6734 9.5124 125.9827 57.2578 29.8659 175.8697 29 G 4.0703 8.5920 107.6416 44.6872 0.0000 173.9203 30 Q 4.8750 7.9364 118.3865 53.4114 31.1170 173.7237 31 P 5.0128 0.0000 0.0000 63.5246 32.3662 175.0745 32 M 4.9279 9.6025 121.0805 54.7768 36.3283 173.1481 33 T 4.9021 8.4388 114.2182 60.5466 71.3972 173.3904 34 F 5.2190 8.8658 122.1077 55.6995 42.5403 174.0414 35 R 5.0886 8.8944 121.6562 54.2160 33.0065 174.5865 36 L 4.4853 8.6084 127.0458 54.8177 42.3178 177.3418 37 L 3.9569 8.6501 123.9302 55.2591 43.0277 177.2420 38 L 4.3714 8.6577 118.6915 54.5747 39.5682 174.0838 39 V 5.0640 7.3685 108.6064 60.0555 36.5607 174.8420 40 D 4.7224 8.9850 121.6255 53.4460 43.7831 174.3870 41 T 4.6724 8.4960 116.7092 59.7358 70.4679 173.3258 42 P 4.4639 0.0000 0.0000 62.6056 32.2647 176.1156 43 E 4.1948 9.2665 123.1657 56.4895 30.0636 177.2953 44 T 4.8228 8.3701 112.3796 60.8042 71.9673 174.1978 45 K 4.0454 8.4951 118.9100 57.0059 31.7612 180.0167 46 H 3.7843 8.4575 135.0000 55.9449 26.2837 171.5699 47 P 4.3116 0.0000 0.0000 65.2030 31.5617 178.9993 48 K 4.2462 8.3368 118.3796 58.8891 32.3080 177.5756 49 K 4.1242 8.5476 117.2494 55.9188 32.8677 178.0267 50 G 3.7417 7.1725 106.9783 44.3729 0.0000 172.8733 51 V 4.0714 8.0757 119.7146 62.1598 31.3400 176.4528 52 E 4.3099 9.3891 128.6621 55.4132 30.9374 176.5904 53 K 4.0134 8.3562 123.5701 58.0772 32.7270 176.8898 54 Y 4.5152 8.0846 122.0784 59.2629 36.2948 171.4202 55 G 3.6489 8.0819 107.6371 47.6383 0.0000 174.2592 56 P 4.3523 0.0000 0.0000 64.7782 31.2991 178.7585 57 E 3.9999 8.1740 116.9801 59.4592 29.5940 178.9871 58 A 4.0692 8.3909 121.1377 55.1742 18.3099 179.8870 59 S 4.0798 8.2100 113.5146 61.7517 62.8862 176.7967 60 A 3.9958 8.1106 123.4638 54.9583 18.1343 179.3208 61 F 3.9132 8.5446 119.3371 61.8181 39.4180 177.4109 62 T 3.9343 8.1743 115.1617 66.4955 68.2401 176.3403 63 K 3.8484 8.2501 121.5605 59.5290 32.2324 178.6694 64 K 3.8269 8.0986 118.6271 59.8717 31.8088 178.9303 65 M 3.8836 7.6282 116.6613 58.6032 32.1535 178.1118 66 V 3.9008 7.9973 112.0537 63.5090 31.7454 178.2743 67 E 3.9289 8.2362 117.9903 58.6488 29.4807 177.8561 68 N 4.6188 7.8366 113.6045 52.4040 39.3828 175.2432 69 A 4.4338 6.9151 124.1951 51.9170 19.1304 178.1068 70 K 4.2524 9.0533 121.3630 58.1161 32.8574 177.8062 71 K 4.7001 8.3154 118.1013 54.7246 36.7450 175.4706 72 I 5.1084 8.4669 124.6039 59.5876 40.7499 174.3195 73 E 5.1289 9.2416 124.7813 54.7410 33.9570 174.8882 74 V 4.5483 8.8454 116.5657 59.6301 34.7147 174.9143 75 E 4.9494 8.9313 124.7345 54.4165 32.0659 174.8009 76 F 4.5998 8.7453 125.5347 57.6533 40.0588 175.8165 77 D 4.9715 8.5307 120.9632 53.6319 43.1557 176.2196 78 K 4.5096 8.8160 119.1839 57.1154 33.7955 177.4657 79 G 4.2619 8.7142 110.9015 45.0181 0.0000 173.7459 80 Q 4.1072 8.6397 121.8301 56.5438 29.3793 176.6856 81 R 4.5795 8.4400 117.9246 56.4213 30.9003 175.9114 82 T 5.5787 7.5808 106.5598 59.3966 72.0320 173.1622 83 D 4.7938 8.1902 122.6174 51.5184 41.8086 176.9676 84 K 3.8295 8.3087 117.1645 59.8067 32.3971 177.0459 85 Y 4.3549 7.9126 115.5008 57.5662 37.8827 175.9437 86 G 3.8919 8.1448 107.6099 45.9139 0.0000 173.9450 87 R 4.3567 8.3311 119.3347 54.9255 31.7201 176.3581 88 G 3.4320 8.4214 111.1620 46.0604 0.0000 172.3948 89 L 5.2605 8.8297 124.8117 53.2344 43.1898 175.6115 90 A 4.4426 8.3474 123.9440 51.2567 23.6459 173.8333 91 Y 4.8168 8.7922 117.3086 56.8323 39.8999 175.3563 92 I 4.8431 8.4816 124.7041 59.6348 40.4012 174.0096 93 Y 5.0644 9.3059 124.4599 56.1008 40.7476 174.5436 94 A 4.8485 9.2852 126.4375 50.1062 21.0718 176.4054 95 D 4.3440 10.1752 125.4928 56.1888 38.9511 175.5910 96 G 3.9642 8.4299 104.5210 45.4430 0.0000 173.4382 97 K 4.5224 8.0915 120.6864 54.4707 33.9388 175.2620 98 M 4.0590 8.5396 123.5762 55.1153 32.9658 176.8239 99 V 3.6437 8.5334 127.6734 66.0227 31.6803 177.4962 100 N 4.2907 8.0695 115.7889 56.4857 38.4747 176.7706 101 E 3.8886 8.1199 119.6588 59.2065 29.3841 178.2094 102 A 4.1051 8.1109 120.8267 55.4257 18.3866 179.7126 103 L 3.5802 8.0053 117.2584 57.7078 41.7403 179.8770 104 V 3.7379 7.5596 117.8641 66.0974 31.2989 178.0854 105 R 3.9077 8.2194 117.5332 59.1163 29.9605 177.6353 106 Q 4.2475 7.5126 114.9881 55.5017 29.1413 176.2435 107 G 3.8544 8.0827 108.7862 46.4290 0.0000 174.4680 108 L 4.4993 7.5735 116.7908 54.0074 42.3131 176.1440 109 A 4.6839 7.4774 118.7743 50.9883 22.2109 175.8536 110 K 4.9265 8.3943 118.2812 54.2951 35.7758 176.0346 111 V 4.3333 8.8640 123.4420 63.1713 32.2686 175.0503 112 A 4.2797 8.9960 128.1108 50.5898 23.3767 174.8037 113 Y 2.8881 7.4216 113.6653 58.9773 35.2683 173.8945 114 V 3.7062 7.1901 118.5183 62.2418 31.0509 173.6214 115 Y 4.8571 7.9997 124.8923 55.5427 39.2770 176.2842 116 K 4.6327 8.6005 124.5480 56.0267 33.5831 174.7269 117 P 4.6701 0.0000 0.0000 63.3957 31.7211 177.0714 118 N 4.9806 7.8694 117.4472 52.7088 37.2937 175.2390 119 N 5.2003 7.6408 110.5172 52.8836 38.8243 177.1596 120 T 3.8097 8.4259 118.6458 67.6651 68.8060 174.7892 121 H 4.8459 8.0046 116.1442 55.5798 29.2689 176.0590 122 E 3.9960 8.5524 123.3948 59.8462 29.2942 179.1561 123 Q 3.9800 8.0554 117.3064 59.0000 28.8927 177.9505 124 H 4.1316 8.1850 118.7696 59.3957 30.0315 177.1075 125 L 3.9440 7.9986 120.6571 57.8696 41.3559 179.8525 126 R 3.8781 8.2180 118.1097 59.0545 29.6949 178.8284 127 K 3.7947 8.0981 119.4343 59.8380 32.1078 178.9982 128 S 4.0830 7.9530 115.1628 61.3475 62.6687 176.2077 129 E 3.8891 8.2333 121.9734 59.1089 29.2624 178.7678 130 A 3.7031 8.0853 121.1593 54.8533 18.3992 179.4757 131 Q 3.7721 7.6328 117.6902 59.1857 29.1420 178.0901 132 A 3.9911 7.9911 121.8821 54.8594 18.3401 179.5197 133 K 3.4242 7.7594 118.3853 59.3543 32.0796 179.1876 134 K 4.1097 7.8814 116.9363 58.8350 32.5428 177.6752 135 E 4.3853 7.6194 117.7839 54.7253 30.5271 175.5451 136 K 4.1842 8.0078 117.6260 56.0571 30.5368 175.3425 137 L 4.3372 8.2616 118.1561 55.5581 44.7517 178.4491 138 N 3.3513 9.2889 118.3566 53.9072 38.4049 176.4953 139 I 3.2850 5.4200 129.2174 64.4030 37.3210 176.6144 140 W 4.8215 8.1877 118.6011 56.3902 29.3834 176.5685 141 S 4.4183 8.2330 119.8322 58.4670 62.6873 173.9493 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 7 L 8.18 4.43 0.00 1.87 1.83 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.45 4.74 0.00 3.23 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.32 4.64 0.00 1.50 1.56 0.00 1.38 0.00 0.00 0.84 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.21 7.81 10 E 8.96 4.85 0.00 2.10 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 2.46 2.49 0.00 11 P 0.00 4.93 0.00 1.97 2.00 0.00 3.73 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 2.05 2.11 0.00 12 A 8.47 4.87 1.15 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 0.00 0.00 0.00 0.00 0.00 13 T 8.42 4.58 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 1.23 0.00 0.00 14 L 8.78 4.17 0.00 1.65 1.59 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.64 4.35 2.00 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 1.01 0.94 0.00 0.00 16 K 7.67 4.41 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.44 7.81 17 A 8.57 4.33 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 18 I 8.35 4.27 1.97 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 1.48 0.68 0.91 0.00 0.00 19 D 8.08 4.59 0.00 2.79 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 20 G 8.99 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 21 D 7.82 4.93 0.00 2.95 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 22 T 7.69 5.91 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 1.27 0.00 0.00 *24 K 8.36 4.73 0.00 1.79 1.85 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.52 7.81 25 L 9.62 5.26 0.00 1.69 1.54 0.29 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.16 4.85 0.00 2.17 2.02 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 2.61 2.56 0.00 27 Y 9.49 5.09 0.00 3.32 3.11 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 28 K 9.51 3.67 0.00 1.66 1.58 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.56 7.81 29 G 8.59 4.07 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 0.00 0.00 0.00 30 Q 7.94 4.88 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 31 P 0.00 5.01 0.00 2.15 2.14 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.60 4.93 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 33 T 8.44 4.90 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 34 F 8.87 5.22 0.00 2.98 2.92 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 35 R 8.89 5.09 0.00 1.87 1.73 0.00 3.33 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 36 L 8.61 4.49 0.00 1.60 1.60 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.65 3.96 0.00 0.85 1.21 0.23 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.66 4.37 0.00 1.96 1.78 1.15 1.14 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 39 V 7.37 5.06 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 0.79 0.00 0.00 0.97 0.00 0.00 40 D 8.99 4.72 0.00 2.89 2.48 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 41 T 8.50 4.67 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 1.21 0.00 0.00 42 P 0.00 4.46 0.00 2.18 2.10 0.00 3.68 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 2.12 2.05 0.00 43 E 9.27 4.19 0.00 2.07 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 2.32 2.44 0.00 44 T 8.37 4.82 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 45 K 8.50 4.05 0.00 1.86 1.17 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.36 7.81 46 H 8.46 3.78 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.18 2.10 0.00 3.46 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 48 K 8.34 4.25 0.00 1.84 1.95 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 49 K 8.55 4.12 0.00 1.87 1.85 0.00 2.19 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.50 7.81 50 G 7.17 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 0.00 0.00 0.00 51 V 8.08 4.07 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 0.79 0.00 0.00 0.98 0.00 0.00 52 E 9.39 4.31 0.00 1.91 1.83 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 2.31 2.40 0.00 53 K 8.36 4.01 0.00 1.59 1.61 0.00 1.30 0.00 0.00 1.37 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.46 7.81 54 Y 8.08 4.52 0.00 3.21 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 55 G 8.08 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 56 P 0.00 4.35 0.00 2.16 2.11 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 57 E 8.17 4.00 0.00 2.41 2.10 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 2.61 2.53 0.00 58 A 8.39 4.07 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 59 S 8.21 4.08 0.00 4.11 3.95 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 60 A 8.11 4.00 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 61 F 8.54 3.91 0.00 3.22 3.21 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 62 T 8.17 3.93 4.43 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 1.31 0.00 0.00 63 K 8.25 3.85 0.00 1.91 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 64 K 8.10 3.83 0.00 1.97 1.71 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.45 7.81 65 M 7.63 3.88 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 66 V 8.00 3.90 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 0.80 0.00 0.00 1.02 0.00 0.00 67 E 8.24 3.93 0.00 1.98 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 2.33 2.49 0.00 68 N 7.84 4.62 0.00 2.74 2.82 0.00 0.00 6.97 7.34 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 69 A 6.92 4.43 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 70 K 9.05 4.25 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 K 8.32 4.70 0.00 1.78 1.64 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 72 I 8.47 5.11 1.85 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 1.33 1.16 0.84 0.00 0.00 73 E 9.24 5.13 0.00 1.90 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 2.19 2.25 0.00 74 V 8.85 4.55 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 -0.07 0.00 0.00 0.57 0.00 0.00 75 E 8.93 4.95 0.00 2.18 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 0.00 2.49 2.41 0.00 76 F 8.75 4.60 0.00 3.10 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 77 D 8.53 4.97 0.00 2.73 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 78 K 8.82 4.51 0.00 1.91 1.96 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.43 7.81 79 G 8.71 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 0.00 0.00 0.00 0.00 80 Q 8.64 4.11 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 81 R 8.44 4.58 0.00 1.67 1.63 0.00 2.85 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 82 T 7.58 5.58 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 1.14 0.00 0.00 83 D 8.19 4.79 0.00 2.90 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 84 K 8.31 3.83 0.00 1.54 1.75 0.00 1.26 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.96 0.27 7.81 85 Y 7.91 4.35 0.00 3.12 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 86 G 8.14 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.33 4.36 0.00 2.16 1.80 0.00 3.11 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 1.60 1.62 0.00 88 G 8.42 3.43 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 0.00 89 L 8.83 5.26 0.00 1.56 1.63 0.96 0.66 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 90 A 8.35 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.79 4.82 0.00 3.11 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 92 I 8.48 4.84 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.68 0.85 0.00 0.00 93 Y 9.31 5.06 0.00 2.87 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 94 A 9.29 4.85 1.20 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 0.00 0.00 0.00 95 D 10.18 4.34 0.00 2.77 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 96 G 8.43 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 97 K 8.09 4.52 0.00 1.93 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.54 4.06 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.42 0.00 99 V 8.53 3.64 2.04 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 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.07 4.29 0.00 2.91 2.94 0.00 0.00 6.97 7.99 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 0.00 101 E 8.12 3.89 0.00 2.01 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 2.30 0.00 102 A 8.11 4.11 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.58 0.00 1.86 1.64 1.04 0.76 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 0.00 104 V 7.56 3.74 2.18 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 1.10 0.00 0.00 0.98 0.00 0.00 105 R 8.22 3.91 0.00 1.96 1.93 0.00 3.32 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 Q 7.51 4.25 0.00 1.60 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.14 0.00 0.00 0.00 0.00 0.00 2.33 1.92 0.00 107 G 8.08 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 0.00 108 L 7.57 4.50 0.00 1.34 1.53 0.47 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.48 4.68 1.16 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 0.00 0.00 0.00 110 K 8.39 4.93 0.00 1.73 1.79 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.13 7.81 111 V 8.86 4.33 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 0.75 0.00 0.00 0.95 0.00 0.00 112 A 9.00 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.42 2.89 0.00 2.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.19 3.71 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 0.84 0.00 0.00 0.89 0.00 0.00 115 Y 8.00 4.86 0.00 3.08 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 0.00 116 K 8.60 4.63 0.00 1.92 1.87 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.47 7.81 117 P 0.00 4.67 0.00 2.25 2.21 0.00 3.80 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 2.02 2.01 0.00 118 N 7.87 4.98 0.00 3.04 2.90 0.00 0.00 7.02 7.93 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 0.00 119 N 7.64 5.20 0.00 3.06 3.00 0.00 0.00 6.13 7.27 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 0.00 120 T 8.43 3.81 4.15 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 0.00 0.00 1.11 0.00 0.00 121 H 8.00 4.85 0.00 2.89 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.55 4.00 0.00 2.17 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 2.40 0.00 123 Q 8.06 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 H 8.19 4.13 0.00 3.20 3.46 0.00 5.87 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 0.00 125 L 8.00 3.94 0.00 1.91 1.73 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.22 3.88 0.00 1.96 1.93 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 127 K 8.10 3.79 0.00 1.79 2.08 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 128 S 7.95 4.08 0.00 3.98 3.83 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 0.00 129 E 8.23 3.89 0.00 2.12 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 1.97 2.45 0.00 130 A 8.09 3.70 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 0.00 131 Q 7.63 3.77 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 132 A 7.99 3.99 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 0.00 133 K 7.76 3.42 0.00 1.36 1.45 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.83 0.21 7.81 134 K 7.88 4.11 0.00 1.88 1.83 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.42 7.81 135 E 7.62 4.39 0.00 2.13 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 2.25 2.39 0.00 136 K 8.01 4.18 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 137 L 8.26 4.34 0.00 1.78 1.71 0.95 0.62 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 0.00 138 N 9.29 3.35 0.00 2.43 1.42 0.00 0.00 6.94 7.63 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 0.00 139 I 5.42 3.28 1.09 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.01 -0.43 0.00 0.00 140 W 8.19 4.82 0.00 3.50 3.15 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 0.00 0.00 0.00 141 S 8.23 4.42 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.