NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4404 8.3193 115.2912 58.4819 62.7251 173.4059 9 T 3.9461 8.3681 118.5011 61.9651 69.3225 173.6293 10 G 4.1774 8.5421 111.1616 46.0124 0.0000 174.7834 11 F 4.9553 7.8569 124.8154 56.9045 40.3367 174.9205 12 L 3.9108 7.4112 119.3173 54.2199 42.0853 177.2037 13 V 3.7454 7.5423 121.1706 61.8538 32.1244 176.0895 14 K 4.2348 8.6433 121.6680 55.8035 32.4616 176.9381 15 Q 3.3232 8.1754 120.2520 58.8349 29.9657 179.9142 16 R 3.6991 7.5583 115.1842 58.7448 31.3361 177.8620 17 A 5.0048 8.2316 121.5228 54.9839 18.1944 178.9954 18 F 4.0791 8.6539 118.9883 61.6522 38.8622 177.4391 19 L 4.1538 8.2424 117.4846 58.0611 41.4597 179.3046 20 K 3.8337 8.6624 117.9405 60.0480 32.1518 178.2453 21 L 3.9709 8.1955 120.4435 58.5835 41.9958 178.0387 22 Y 3.8830 8.6721 113.7850 62.0234 37.9435 180.0093 23 M 3.6138 8.2571 117.5812 58.0423 32.2672 179.5301 24 I 3.8848 7.9553 120.4430 64.6599 37.3832 178.4830 25 T 3.8237 8.3238 116.7874 66.9586 68.2983 176.1799 26 M 3.8646 7.9109 119.8969 58.9202 31.8999 178.4739 27 T 3.6069 8.0664 115.8181 67.0647 68.4147 176.4036 28 E 3.9168 7.9982 118.3385 59.2699 29.7998 178.8217 29 Q 4.0872 8.2118 116.6955 55.9185 28.6820 176.9102 30 E 3.8600 8.4705 118.1126 56.7161 28.2924 175.6107 31 R 3.7603 7.4899 118.3408 58.8405 30.2181 177.3254 32 L 3.7312 7.1145 118.3496 55.2285 43.1745 176.0558 33 Y 4.8593 7.0720 118.0131 57.9668 40.9778 172.8912 34 G 3.8901 8.3101 107.9635 45.5140 0.0000 172.2006 35 L 4.6222 8.2441 115.2987 54.8498 39.2608 177.0353 36 K 4.6429 7.9965 113.7719 56.6892 37.8629 177.9717 37 L 3.1005 8.0206 112.8170 56.6721 41.5736 180.2186 38 L 3.2027 7.2004 117.7247 57.7340 45.0998 177.8757 39 E 4.5541 8.0064 121.3340 56.1119 29.7315 178.0300 40 V 4.4136 9.0097 118.7967 64.6124 35.7028 176.5562 41 L 3.7934 8.1213 118.7045 57.9743 40.9855 178.7372 42 R 3.7346 7.8561 115.4169 58.7100 30.3408 179.0792 43 S 3.9131 7.5561 118.6297 61.2343 63.8599 175.4120 44 E 4.1824 7.7771 120.1811 57.2045 31.0449 176.5676 45 F 4.8838 10.4058 112.1709 56.5866 38.1777 177.6636 46 K 3.6828 7.9212 130.4778 58.7724 33.3104 175.2645 47 E 3.9282 8.2393 118.2336 59.5080 29.7041 178.6054 48 I 3.9357 7.8216 118.1367 63.4285 37.4950 176.3576 49 G 4.0939 8.0422 106.8620 45.1878 0.0000 173.0209 50 F 4.9229 8.2364 122.3157 56.3014 40.8763 174.9261 51 K 3.9788 7.9989 128.1482 54.1231 32.8765 173.4937 52 P 4.3319 0.0000 0.0000 61.9595 32.3421 175.9589 53 N 4.7935 8.4214 117.5330 52.0031 39.3657 175.5655 54 H 4.1775 8.8719 120.4044 59.9275 30.1723 177.0698 55 T 3.7272 7.4362 111.8458 65.3306 68.3255 175.5412 56 E 3.9904 9.4136 122.5378 59.1705 29.2569 179.2548 57 V 3.6623 7.6955 118.5705 66.8701 31.9882 176.9406 58 Y 3.7789 8.1510 119.4004 60.1442 38.2981 177.8193 59 R 4.1016 8.2874 120.4832 59.7511 30.6088 179.0340 60 S 4.3092 8.1919 114.5677 61.7520 62.6748 176.3153 61 L 3.8367 7.9096 122.9114 58.2460 41.6476 178.4983 62 H 4.0331 8.0617 115.8767 58.8085 28.6870 176.8627 63 E 4.0551 8.0214 121.3185 58.7840 29.4642 178.5792 64 L 3.9383 9.5334 119.0387 57.6616 41.7437 179.0635 65 L 4.3427 7.8489 119.5833 57.4521 41.3918 178.9813 66 D 4.4043 7.5636 116.9262 57.9192 40.9767 178.7367 67 D 4.5362 8.2207 118.0486 55.7820 41.2577 178.0220 68 G 4.0649 8.8254 107.9057 45.0542 0.0000 175.0811 69 I 4.3560 7.6268 119.8559 62.6576 38.2994 175.8611 70 L 4.8654 8.0569 121.5409 52.4721 45.3158 175.4725 71 K 4.7282 8.6182 121.8300 54.9442 35.1816 175.2345 72 Q 4.1265 8.7604 125.2664 56.1171 29.8524 174.8893 73 I 4.7416 8.0606 124.9239 59.3980 42.0836 173.9399 74 K 5.3166 8.4497 124.4145 54.0139 34.7867 175.6659 75 V 4.2490 7.8359 126.3182 62.0206 33.5202 175.0696 76 K 4.3134 8.3957 112.4346 56.5039 29.3576 174.0963 *84 E 4.0191 8.0465 118.3163 55.8896 30.6569 176.2627 85 V 4.0272 7.7066 117.1982 60.8106 33.6989 175.4193 86 V 4.6275 8.1582 122.5810 61.1328 34.2853 174.2734 87 L 4.6783 9.2015 130.1785 53.4663 44.5627 174.9339 88 Y 4.7258 8.4924 123.9951 58.3754 39.1566 175.8369 89 Q 4.2023 9.7090 120.9475 55.1311 33.9125 173.4087 90 F 5.1068 7.6926 122.3098 56.8961 38.1227 175.7065 91 K 4.2077 8.9239 126.8463 58.7553 32.7360 176.2164 92 D 4.6206 8.2003 118.5526 53.2297 43.7243 175.1989 93 Y 4.0244 8.8088 127.0687 59.5110 39.6697 176.8033 94 E 3.3991 8.3361 119.8931 59.3443 29.5180 178.9151 95 A 4.7882 8.1944 117.9919 52.3229 17.8726 177.8165 96 A 4.4664 8.4451 122.6443 54.2350 21.7454 179.6606 97 K 3.7039 7.4906 114.7201 59.2508 31.7373 179.0876 98 L 3.8513 7.3273 120.4428 58.9659 42.1154 177.4736 99 Y 3.9759 8.2655 118.5124 60.2941 38.4520 177.5672 100 K 3.9844 8.4588 119.6794 60.0647 32.6996 178.2425 101 K 3.7141 8.3270 119.3699 60.3392 31.8534 178.3952 102 Q 4.0228 9.0262 118.9170 58.8679 28.6424 179.0569 103 L 4.0554 8.3151 120.1465 56.6970 41.7399 178.8566 104 K 3.8232 8.4974 120.3320 60.4025 32.0216 177.9986 105 V 3.5617 7.6057 116.7217 65.9121 31.1350 177.6967 106 E 3.8164 8.3179 117.6970 59.8842 29.6536 179.4835 107 L 4.0620 8.5435 119.5524 58.1557 41.5918 178.7706 108 D 4.3260 9.6915 119.2839 57.8527 41.0019 180.2917 109 R 3.5079 8.5688 117.5761 59.3009 30.9623 177.9644 110 S 3.8090 8.8155 113.5987 61.6589 62.6411 177.1893 111 K 4.1852 8.5796 125.1722 60.1978 32.7904 178.2283 112 K 3.8314 8.6014 118.6832 60.2920 31.9262 179.1902 113 L 3.4831 8.2759 114.7254 57.8984 41.8843 179.4120 114 I 3.6407 7.7864 119.6369 65.0204 37.0836 177.8761 115 E 3.9320 7.9689 119.3771 59.2460 29.1392 178.8948 116 K 3.9229 8.5430 119.6229 59.3946 32.3038 178.2333 117 A 4.5972 8.0719 121.9688 54.7925 18.0315 179.3055 118 L 4.3705 7.7769 113.9258 56.5044 41.7451 178.6202 119 S 4.5530 7.3608 111.6996 60.5941 63.2556 175.3659 120 D 4.5434 9.0250 120.8793 56.1696 40.6384 176.9319 121 N 4.6982 8.2941 115.0455 52.8956 39.9369 175.0304 122 F 4.3778 8.0095 121.6526 57.5265 39.8208 174.6689 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 8 S 8.32 4.44 0.00 3.85 3.88 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 9 T 8.37 3.95 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 1.20 0.00 0.00 10 G 8.54 4.18 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 0.00 0.00 0.00 11 F 7.86 4.96 0.00 2.87 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 12 L 7.41 3.91 0.00 1.52 1.39 0.77 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.54 3.75 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 0.75 0.00 0.00 1.03 0.00 0.00 14 K 8.64 4.23 0.00 1.85 1.80 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.39 7.81 15 Q 8.18 3.32 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.60 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 16 R 7.56 3.70 0.00 2.01 1.93 0.00 3.26 0.00 0.00 3.86 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 17 A 8.23 5.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 4.08 0.00 2.99 3.19 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 19 L 8.24 4.15 0.00 1.85 1.83 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.66 3.83 0.00 1.98 1.54 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.53 7.81 21 L 8.20 3.97 0.00 2.04 2.00 1.00 0.78 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 22 Y 8.67 3.88 0.00 3.04 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 23 M 8.26 3.61 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 24 I 7.96 3.88 2.04 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 1.08 0.00 0.00 25 T 8.32 3.82 4.08 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 0.00 0.00 1.07 0.00 0.00 26 M 7.91 3.86 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 27 T 8.07 3.61 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 -0.30 0.00 0.00 28 E 8.00 3.92 0.00 2.22 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 3.08 0.00 29 Q 8.21 4.09 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.11 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 30 E 8.47 3.86 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 2.15 2.18 0.00 31 R 7.49 3.76 0.00 1.74 1.75 0.00 3.10 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 32 L 7.11 3.73 0.00 1.37 1.41 0.80 0.76 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 33 Y 7.07 4.86 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 G 8.31 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 35 L 8.24 4.62 0.00 1.66 1.71 0.93 0.81 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 36 K 8.00 4.64 0.00 1.67 1.80 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.31 1.40 7.81 37 L 8.02 3.10 0.00 1.60 1.51 0.84 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.20 3.20 0.00 1.81 1.46 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.01 4.55 0.00 2.01 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 2.32 2.24 0.00 40 V 9.01 4.41 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 1.05 0.00 0.00 41 L 8.12 3.79 0.00 1.83 1.83 0.96 0.98 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 42 R 7.86 3.73 0.00 1.95 1.83 0.00 3.16 0.00 0.00 3.34 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 43 S 7.56 3.91 0.00 3.84 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 44 E 7.78 4.18 0.00 1.86 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 2.11 2.16 0.00 45 F 10.41 4.88 0.00 3.12 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 0.00 0.00 0.00 46 K 7.92 3.68 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.38 7.81 47 E 8.24 3.93 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 2.36 2.42 0.00 48 I 7.82 3.94 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.98 0.00 0.00 49 G 8.04 4.09 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 0.00 0.00 0.00 50 F 8.24 4.92 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.98 0.00 1.63 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.36 7.81 52 P 0.00 4.33 0.00 2.10 1.91 0.00 3.27 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.03 0.00 53 N 8.42 4.79 0.00 2.98 2.97 0.00 0.00 5.74 7.90 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 54 H 8.87 4.18 0.00 3.22 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.44 3.73 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 1.17 0.00 0.00 56 E 9.41 3.99 0.00 2.23 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 0.00 2.37 2.53 0.00 57 V 7.70 3.66 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 0.84 0.00 0.00 0.97 0.00 0.00 58 Y 8.15 3.78 0.00 3.18 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 R 8.29 4.10 0.00 2.00 2.09 0.00 3.28 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 60 S 8.19 4.31 0.00 4.10 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 61 L 7.91 3.84 0.00 1.59 1.51 0.42 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.06 4.03 0.00 3.37 3.44 0.00 5.68 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 63 E 8.02 4.06 0.00 2.30 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 0.00 2.53 2.40 0.00 64 L 9.53 3.94 0.00 1.78 1.66 0.84 0.49 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 65 L 7.85 4.34 0.00 1.70 1.76 0.97 1.44 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 66 D 7.56 4.40 0.00 2.86 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 67 D 8.22 4.54 0.00 2.82 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 68 G 8.83 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 0.00 0.00 0.00 69 I 7.63 4.36 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 1.09 0.00 0.00 70 L 8.06 4.87 0.00 1.59 1.60 0.68 0.67 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 71 K 8.62 4.73 0.00 1.83 1.93 0.00 1.36 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.35 7.81 72 Q 8.76 4.13 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.83 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 73 I 8.06 4.74 2.13 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 1.07 0.84 0.85 0.00 0.00 74 K 8.45 5.32 0.00 1.65 1.59 0.00 1.49 0.00 0.00 2.25 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.30 7.81 75 V 7.84 4.25 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 0.96 0.00 0.00 0.89 0.00 0.00 76 K 8.40 4.31 0.00 1.77 1.75 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *84 E 8.05 4.02 0.00 1.95 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 0.00 2.19 2.27 0.00 85 V 7.71 4.03 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 0.77 0.00 0.00 0.91 0.00 0.00 86 V 8.16 4.63 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 0.57 0.00 0.00 0.85 0.00 0.00 87 L 9.20 4.68 0.00 1.64 1.40 0.91 0.77 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 88 Y 8.49 4.73 0.00 2.78 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 89 Q 9.71 4.20 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 90 F 7.69 5.11 0.00 3.04 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 91 K 8.92 4.21 0.00 1.84 2.23 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 92 D 8.20 4.62 0.00 2.84 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.81 4.02 0.00 2.99 2.89 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 94 E 8.34 3.40 0.00 2.01 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 2.32 2.27 0.00 95 A 8.19 4.79 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 96 A 8.45 4.47 0.98 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 0.00 0.00 97 K 7.49 3.70 0.00 1.51 1.71 0.00 1.40 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 0.61 7.81 98 L 7.33 3.85 0.00 1.51 1.62 0.88 0.72 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 99 Y 8.27 3.98 0.00 3.05 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 0.00 100 K 8.46 3.98 0.00 1.85 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 101 K 8.33 3.71 0.00 2.13 1.96 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 102 Q 9.03 4.02 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 103 L 8.32 4.06 0.00 1.96 1.78 1.04 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.50 3.82 0.00 2.01 1.81 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.60 7.81 105 V 7.61 3.56 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 1.04 0.00 0.00 0.95 0.00 0.00 106 E 8.32 3.82 0.00 2.14 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 2.31 2.61 0.00 107 L 8.54 4.06 0.00 2.10 1.60 0.94 1.26 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 0.00 108 D 9.69 4.33 0.00 2.63 2.65 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 0.00 109 R 8.57 3.51 0.00 1.93 1.88 0.00 3.27 0.00 0.00 3.17 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 110 S 8.82 3.81 0.00 4.13 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 0.00 111 K 8.58 4.19 0.00 1.70 1.94 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 112 K 8.60 3.83 0.00 2.02 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 113 L 8.28 3.48 0.00 1.77 1.45 0.47 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.79 3.64 1.82 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 1.27 0.94 0.88 0.00 0.00 115 E 7.97 3.93 0.00 2.09 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 0.00 2.32 2.34 0.00 116 K 8.54 3.92 0.00 1.83 1.94 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.54 7.81 117 A 8.07 4.60 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 4.37 0.00 1.68 1.72 0.87 0.32 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 0.00 119 S 7.36 4.55 0.00 4.06 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 0.00 120 D 9.03 4.54 0.00 2.58 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 0.00 121 N 8.29 4.70 0.00 2.94 2.49 0.00 0.00 6.63 8.28 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 0.00 122 F 8.01 4.38 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.