NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4092 8.3044 120.3483 54.4910 33.5054 173.1806 2 S 4.2571 6.8598 112.0573 59.5324 65.5295 170.7052 3 N 4.1920 8.2963 116.8063 53.5771 42.1090 173.6538 4 T 4.2196 8.4210 115.0662 62.2247 67.8548 173.3994 5 L 5.1177 7.9672 119.2140 52.4221 44.5269 176.3555 6 F 4.6831 7.9728 118.9610 57.7901 43.5237 172.0315 7 D 5.6021 7.6346 124.0812 52.3671 44.2720 173.7025 8 D 4.7159 8.2786 127.1433 54.4873 44.4006 174.9181 9 I 5.3519 7.5930 123.2007 60.0841 40.4247 174.5044 10 F 5.8162 9.5284 122.8239 54.8929 43.8257 173.3241 11 Q 5.6382 8.4608 119.3268 53.2155 32.1503 173.3727 12 V 3.8974 8.8102 126.5386 63.5486 31.2453 175.8352 13 S 4.1660 9.0567 123.0402 60.7243 62.8994 173.6933 14 E 4.8051 7.5731 116.6453 55.4650 32.8020 174.2395 15 V 4.6849 8.6194 124.4714 61.0268 34.0892 174.1422 16 D 4.9744 9.4516 127.8847 51.1831 43.7845 174.3687 17 P 4.9999 0.0000 0.0000 61.5089 30.6767 176.9482 18 G 3.6797 7.8304 106.9594 47.3135 0.0000 172.2061 19 R 3.8052 8.4657 128.1363 57.3821 28.0377 177.3144 20 Y 4.8204 7.2815 111.8150 56.9390 38.5076 176.8260 21 N 4.1205 7.5663 119.2728 53.9568 39.2608 175.8887 22 K 4.7494 8.2202 114.0846 55.7246 34.5855 175.9578 23 V 4.9389 8.4794 119.6963 61.5867 35.0222 174.1179 24 C 5.0453 8.9813 122.9048 58.0152 32.6982 172.9210 25 R 4.6693 9.1528 124.3791 55.4868 31.1518 175.0203 26 I 5.0469 9.1188 126.6587 59.4905 42.0814 173.8342 27 E 5.7177 8.9875 123.5795 55.0533 33.9480 174.4206 28 A 5.3478 8.9028 123.9198 49.9154 23.6371 174.2816 29 A 4.9789 8.5385 119.9668 50.1302 22.4175 176.0812 30 S 3.6859 8.2451 114.1029 57.5266 63.1375 174.7278 31 T 4.5183 7.4858 124.0758 62.9528 69.7026 174.5917 32 T 4.1977 7.0993 127.5701 63.3966 76.4400 177.9651 33 Q 4.0323 8.9029 130.7725 57.4717 29.1279 175.9334 34 D 4.7388 8.5522 122.2128 55.3124 41.5543 177.2741 35 Q 4.4499 8.0529 119.0353 57.6700 31.3094 175.8479 36 C 4.6507 7.9217 120.0159 59.2136 31.5335 173.2119 37 K 4.9948 8.4994 125.2583 55.3345 34.1437 175.8076 38 L 4.8609 8.3354 122.2601 54.2326 46.0399 174.4976 39 T 5.0953 8.9478 122.1758 61.7115 72.3041 172.8965 40 L 4.8619 9.1839 128.0391 54.1012 45.8669 174.2906 41 D 5.1015 8.7658 126.7675 54.3881 42.0367 176.0281 42 I 4.6381 8.9803 121.7190 59.8111 42.2309 174.6431 43 N 5.0825 9.7835 125.8942 53.2372 37.5163 175.3349 44 V 4.3775 7.9471 124.6545 62.4873 31.0990 175.8706 45 E 4.4782 8.7971 121.1428 56.7884 31.2424 176.4697 46 L 4.5531 7.6047 114.4101 53.6835 41.5244 176.7936 47 F 5.4231 7.5034 123.6943 57.3117 40.3092 171.2208 48 P 4.1963 0.0000 0.0000 62.3260 32.0470 176.4378 49 V 3.9334 7.7428 118.5209 61.8572 33.8384 173.0492 50 A 4.6246 8.2678 129.9864 49.7039 21.0007 175.5482 51 A 3.9112 8.4166 125.1146 52.8774 19.2499 176.2976 52 Q 3.4962 8.7010 120.9954 56.0806 25.9819 172.2380 53 D 4.7027 7.7613 119.1019 52.6052 45.4611 173.8156 54 S 4.9937 8.8093 120.3379 57.5611 62.4940 172.5312 55 L 5.1204 8.8817 127.4139 53.0837 44.8555 175.9311 56 T 4.8600 8.6750 120.7855 62.9305 69.9178 174.0197 57 V 4.9407 9.2831 126.5213 61.6861 35.0543 174.3707 58 T 6.0672 8.3458 121.2190 60.6051 73.7862 173.9769 59 I 4.8750 8.3737 124.8074 59.2407 39.9858 179.6404 60 A 4.0836 9.3573 130.3303 53.6765 17.7512 178.2760 61 S 5.0070 8.5672 113.9242 55.1311 62.4884 173.5298 62 S 4.5593 6.9802 113.0440 61.0864 67.6752 176.0533 63 L 4.1630 6.8881 116.6240 55.2209 46.6369 173.5246 64 N 5.2577 8.0968 116.2914 50.8188 40.3647 174.0403 65 L 4.5693 8.0244 117.0808 55.2147 40.6526 175.2112 *76 T 4.2982 7.4413 108.1747 63.2174 70.6413 172.8956 77 R 4.4078 8.5488 118.0311 56.2941 34.1043 173.4454 78 S 4.1583 8.4841 111.6482 58.8080 62.6992 174.6954 79 W 4.4447 8.9141 135.0000 57.1497 31.2877 175.3221 80 R 4.5052 7.4167 123.7394 53.4763 32.2233 176.5688 81 P 3.9985 0.0000 0.0000 61.3522 31.8251 173.3921 82 P 3.9708 0.0000 0.0000 62.1357 31.2017 177.2104 83 Q 3.7997 8.8794 122.4469 56.6811 29.6596 175.7255 84 A 4.2285 7.8576 114.8460 52.7927 17.8537 178.1896 85 G 4.0168 8.3585 111.1207 49.6465 0.0000 174.0233 86 D 4.5572 7.6886 118.8890 52.2396 41.8971 173.8533 87 R 4.6345 7.8842 123.2823 54.1667 34.5006 175.1956 88 S 4.2953 8.2946 113.8981 58.8747 63.3890 174.8534 89 L 4.2393 7.8601 119.0528 55.1091 40.8493 175.4654 90 A 4.2116 9.2997 127.7060 53.5713 17.8847 178.9012 91 D 4.6454 9.6518 115.3568 55.7453 38.9846 178.6564 92 D 4.7783 7.7796 121.4579 53.9319 39.6529 175.0869 93 Y 4.6965 9.4454 116.6977 57.2649 41.8783 174.5028 94 D 4.7929 8.8690 118.1753 52.6501 39.9045 174.9146 95 Y 4.9747 7.0517 125.4165 58.7150 42.1121 171.7647 96 V 5.1263 8.0636 127.0257 60.5320 33.8751 174.6041 97 M 4.5092 8.2382 128.6176 54.7595 34.7430 174.2031 98 Y 5.2557 8.0248 118.6507 57.4618 41.6048 175.0331 99 G 4.1271 8.6328 111.2809 46.8964 0.0000 172.4322 100 T 5.3544 9.4481 117.8651 60.7100 73.5425 173.2308 101 A 4.6864 8.3205 123.0315 50.4920 19.1599 176.6409 102 Y 4.3822 8.8313 120.8377 58.8623 39.3527 175.5974 103 K 4.6405 6.8126 121.9988 53.7739 35.8154 174.1594 104 F 4.8648 8.6903 123.9623 55.3648 39.0858 174.5133 105 E 4.2411 8.8850 124.4861 56.0492 31.5700 175.1434 106 E 4.4999 8.4276 121.4158 53.0321 30.4280 177.5602 107 V 3.7559 7.9864 131.8915 63.5285 30.5358 175.8402 108 S 3.3890 8.7737 114.4653 59.4771 65.3596 175.3050 109 K 3.9126 8.7948 123.9979 57.5592 30.7423 176.1405 110 D 4.7521 9.0206 110.2956 52.9360 39.6473 175.4686 111 L 5.2531 7.9138 122.2048 53.4759 42.3388 175.5049 112 I 4.2437 7.9538 123.6590 60.0210 40.3184 173.8571 113 A 5.2151 8.3932 127.2304 49.1151 22.7246 175.4647 114 V 4.2242 7.7806 112.7396 59.4043 36.1860 174.0613 115 Y 4.9228 7.9011 120.4178 56.2835 41.0492 174.4081 116 Y 5.0587 8.7155 120.4690 56.1195 41.7964 174.3761 117 S 4.8119 9.5210 118.8436 56.5422 65.7588 172.8519 118 F 4.7937 9.7419 127.1192 55.4688 39.5164 175.6928 119 G 4.0228 9.1010 117.4527 46.3995 0.0000 170.5809 120 G 4.2118 7.7661 112.3687 45.9159 0.0000 174.2449 121 L 4.1820 8.1601 122.1187 54.2996 42.7020 177.0524 122 L 5.2520 9.2501 124.7204 54.2358 44.5736 174.9452 123 M 5.0745 8.3784 116.7772 55.0742 36.2613 173.2234 124 R 4.7486 9.3548 125.0022 54.4049 33.8548 173.7235 125 L 5.1503 8.1645 127.0519 53.6551 45.8953 174.2850 126 E 5.5399 7.9780 119.9642 54.9719 35.0075 174.9848 127 G 4.0986 9.3603 110.7544 44.6816 0.0000 173.9003 128 N 4.0460 6.4175 128.1690 53.7026 40.2785 173.1521 129 Y 4.8449 6.3986 115.7998 56.5929 40.7617 175.8964 130 R 4.5656 7.5632 121.6605 56.0008 29.9736 177.7489 131 N 4.5367 8.1234 116.7506 55.6568 39.2220 176.7836 132 L 4.7158 7.9563 114.1055 54.4198 42.2081 176.0534 133 N 4.7886 7.2190 114.9685 54.7104 40.9222 174.1698 134 N 5.0367 7.9680 118.9590 53.3088 36.8848 175.1105 135 L 4.1699 7.9245 120.2479 55.1141 42.6601 177.7369 136 K 4.3618 8.2715 118.6943 56.5314 31.6981 177.3067 137 Q 4.2933 7.7770 118.1423 55.7316 29.4446 177.1145 138 E 3.9138 9.1053 119.0644 59.7401 29.9144 176.0206 139 N 4.1453 7.5880 114.6103 51.3054 39.9109 173.5570 140 A 5.5524 8.0393 135.0000 52.8405 20.8320 174.1514 141 Y 4.6861 8.2581 119.4252 57.2537 40.2115 174.7577 142 L 4.7784 8.5246 125.5996 53.5298 45.0849 175.0439 143 L 5.0950 7.8743 122.1610 53.2895 46.5498 175.3821 144 I 5.9095 8.6701 121.5810 59.3363 42.1098 174.3555 145 R 5.0906 8.5581 120.9917 54.3468 33.3214 175.2393 146 R 4.2523 8.4451 118.9221 56.7436 31.7166 175.6261 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 1 M 8.30 4.41 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 S 6.86 4.26 0.00 3.90 3.70 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 3 N 8.30 4.19 0.00 2.66 2.67 0.00 0.00 6.78 7.70 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 4 T 8.42 4.22 4.30 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 0.00 0.00 0.00 1.26 0.00 0.00 5 L 7.97 5.12 0.00 1.78 1.73 1.02 0.99 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 6 F 7.97 4.68 0.00 3.18 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 7 D 7.63 5.60 0.00 2.71 2.42 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 8 D 8.28 4.72 0.00 2.57 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 9 I 7.59 5.35 1.91 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 1.46 0.65 1.07 0.00 0.00 10 F 9.53 5.82 0.00 2.90 3.12 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 0.00 11 Q 8.46 5.64 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 12 V 8.81 3.90 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 0.99 0.00 0.00 0.96 0.00 0.00 13 S 9.06 4.17 0.00 3.94 4.16 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 14 E 7.57 4.81 0.00 2.00 1.71 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 2.19 2.15 0.00 15 V 8.62 4.68 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 0.81 0.00 0.00 0.92 0.00 0.00 16 D 9.45 4.97 0.00 2.76 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 17 P 0.00 5.00 0.00 2.25 2.08 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 18 G 7.83 3.68 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 0.00 0.00 0.00 19 R 8.47 3.81 0.00 1.67 1.79 0.00 3.23 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 20 Y 7.28 4.82 0.00 3.10 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 21 N 7.57 4.12 0.00 2.77 2.88 0.00 0.00 7.02 7.61 0.00 0.00 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 K 8.22 4.75 0.00 1.71 1.79 0.00 1.65 0.00 0.00 2.10 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 23 V 8.48 4.94 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 0.70 0.00 0.00 0.93 0.00 0.00 24 C 8.98 5.05 0.00 2.84 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 25 R 9.15 4.67 0.00 1.92 1.79 0.00 3.04 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 26 I 9.12 5.05 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.40 0.89 0.00 0.00 27 E 8.99 5.72 0.00 1.96 1.79 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 2.36 2.11 0.00 28 A 8.90 5.35 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 29 A 8.54 4.98 1.29 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 0.00 0.00 30 S 8.25 3.69 0.00 3.55 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 31 T 7.49 4.52 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 1.17 0.00 0.00 32 T 7.10 4.20 4.05 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 1.05 0.00 0.00 33 Q 8.90 4.03 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.18 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 34 D 8.55 4.74 0.00 2.67 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 Q 8.05 4.45 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.21 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 36 C 7.92 4.65 0.00 3.36 2.93 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 37 K 8.50 4.99 0.00 1.70 1.77 0.00 2.00 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.62 7.81 38 L 8.34 4.86 0.00 1.60 1.32 0.78 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.95 5.10 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 40 L 9.18 4.86 0.00 1.60 1.36 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.77 5.10 0.00 2.66 2.52 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 42 I 8.98 4.64 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.43 1.01 0.00 0.00 43 N 9.78 5.08 0.00 2.83 2.84 0.00 0.00 6.74 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 44 V 7.95 4.38 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 0.85 0.00 0.00 0.99 0.00 0.00 45 E 8.80 4.48 0.00 1.95 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 2.23 2.25 0.00 46 L 7.60 4.55 0.00 1.67 1.63 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.50 5.42 0.00 3.23 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 48 P 0.00 4.20 0.00 1.97 1.91 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 49 V 7.74 3.93 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 0.63 0.00 0.00 0.37 0.00 0.00 50 A 8.27 4.62 1.19 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 51 A 8.42 3.91 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 52 Q 8.70 3.50 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 53 D 7.76 4.70 0.00 2.84 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.99 0.00 3.96 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 55 L 8.88 5.12 0.00 1.71 1.61 0.99 0.77 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 56 T 8.67 4.86 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 1.37 0.00 0.00 57 V 9.28 4.94 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 0.84 0.00 0.00 0.75 0.00 0.00 58 T 8.35 6.07 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 1.36 0.00 0.00 59 I 8.37 4.88 1.95 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.11 0.83 0.00 0.00 60 A 9.36 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 5.01 0.00 4.07 4.01 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 62 S 6.98 4.56 0.00 3.90 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 63 L 6.89 4.16 0.00 1.34 1.35 0.36 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.10 5.26 0.00 2.75 2.69 0.00 0.00 6.72 7.85 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 65 L 8.02 4.57 0.00 1.73 1.72 0.91 0.59 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 *76 T 7.44 4.30 4.44 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 1.46 0.00 0.00 77 R 8.55 4.41 0.00 1.96 2.04 0.00 3.30 0.00 0.00 3.18 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 78 S 8.48 4.16 0.00 3.93 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 79 W 8.91 4.44 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 80 R 7.42 4.51 0.00 1.49 1.56 0.00 3.18 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 81 P 0.00 4.00 0.00 1.95 2.04 0.00 3.53 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 2.03 2.17 0.00 82 P 0.00 3.97 0.00 2.14 1.95 0.00 3.85 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 83 Q 8.88 3.80 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.18 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 84 A 7.86 4.23 1.25 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 0.00 0.00 0.00 85 G 8.36 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 0.00 0.00 0.00 86 D 7.69 4.56 0.00 2.56 2.52 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 87 R 7.88 4.63 0.00 1.73 1.73 0.00 3.18 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 88 S 8.29 4.30 0.00 3.93 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 89 L 7.86 4.24 0.00 1.96 1.77 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 90 A 9.30 4.21 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 91 D 9.65 4.65 0.00 2.87 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 92 D 7.78 4.78 0.00 2.66 2.38 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 93 Y 9.45 4.70 0.00 2.81 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 94 D 8.87 4.79 0.00 2.65 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 95 Y 7.05 4.97 0.00 2.50 2.44 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 96 V 8.06 5.13 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 1.09 0.00 0.00 0.86 0.00 0.00 97 M 8.24 4.51 0.00 1.54 1.23 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.49 0.00 98 Y 8.02 5.26 0.00 2.66 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 99 G 8.63 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 0.00 100 T 9.45 5.35 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 1.25 0.00 0.00 101 A 8.32 4.69 0.73 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 0.00 0.00 102 Y 8.83 4.38 0.00 3.04 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 0.00 103 K 6.81 4.64 0.00 1.67 1.36 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.45 7.81 104 F 8.69 4.86 0.00 2.87 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 0.00 105 E 8.88 4.24 0.00 2.29 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 2.34 2.34 0.00 106 E 8.43 4.50 0.00 1.85 1.84 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 2.22 2.31 0.00 107 V 7.99 3.76 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 0.78 0.00 0.00 1.01 0.00 0.00 108 S 8.77 3.39 0.00 4.14 4.03 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 0.00 109 K 8.79 3.91 0.00 1.92 1.17 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.42 7.81 110 D 9.02 4.75 0.00 2.94 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 0.00 111 L 7.91 5.25 0.00 1.77 1.64 0.93 0.76 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 0.00 112 I 7.95 4.24 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.87 0.00 0.00 113 A 8.39 5.22 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 0.00 114 V 7.78 4.22 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 0.10 0.00 0.00 0.70 0.00 0.00 115 Y 7.90 4.92 0.00 1.49 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 0.00 0.00 0.00 116 Y 8.72 5.06 0.00 2.74 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 0.00 0.00 0.00 0.00 117 S 9.52 4.81 0.00 3.52 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 0.00 118 F 9.74 4.79 0.00 2.97 3.06 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 0.00 119 G 9.10 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 0.00 0.00 0.00 120 G 7.77 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 0.00 0.00 0.00 121 L 8.16 4.18 0.00 1.87 1.77 1.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.25 5.25 0.00 1.78 1.71 1.01 0.64 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 0.00 123 M 8.38 5.07 0.00 2.32 2.06 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 2.64 2.44 0.00 124 R 9.35 4.75 0.00 1.72 1.56 0.00 3.03 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 125 L 8.16 5.15 0.00 1.57 1.23 0.70 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.98 5.54 0.00 2.02 1.78 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 2.17 2.08 0.00 127 G 9.36 4.10 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 0.00 128 N 6.42 4.05 0.00 2.83 2.92 0.00 0.00 6.62 7.54 0.00 0.00 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 Y 6.40 4.84 0.00 3.24 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 0.00 130 R 7.56 4.57 0.00 2.03 2.21 0.00 3.52 0.00 0.00 3.42 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 131 N 8.12 4.54 0.00 2.76 2.91 0.00 0.00 7.00 7.85 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 0.00 132 L 7.96 4.72 0.00 1.63 1.67 0.95 0.98 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 0.00 133 N 7.22 4.79 0.00 2.85 3.02 0.00 0.00 7.05 6.92 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 0.00 134 N 7.97 5.04 0.00 3.08 3.08 0.00 0.00 7.19 7.73 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 0.00 135 L 7.92 4.17 0.00 1.74 1.69 1.06 1.07 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 0.00 136 K 8.27 4.36 0.00 1.44 1.41 0.00 1.29 0.00 0.00 1.45 0.00 0.00 2.75 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.38 0.21 7.81 137 Q 7.78 4.29 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 138 E 9.11 3.91 0.00 2.04 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 0.00 2.37 2.25 0.00 139 N 7.59 4.15 0.00 2.86 2.86 0.00 0.00 6.82 7.96 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 0.00 140 A 8.04 5.55 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 0.00 141 Y 8.26 4.69 0.00 2.82 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 0.00 142 L 8.52 4.78 0.00 1.55 1.04 0.83 0.13 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 0.00 143 L 7.87 5.10 0.00 0.40 0.35 0.76 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.67 5.91 1.63 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.04 0.97 0.00 0.00 145 R 8.56 5.09 0.00 1.76 1.96 0.00 2.92 0.00 0.00 2.55 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.44 0.00 146 R 8.45 4.25 0.00 2.05 2.44 0.00 3.33 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.