NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1493 8.0544 120.3862 62.2957 32.5481 174.8350 3 V 3.5426 8.2467 128.2877 62.5727 31.8557 173.9534 4 K 4.3948 9.2382 126.4538 57.1232 35.7444 177.4133 5 R 3.9036 7.8404 117.9842 56.4889 31.2085 177.0993 6 T 3.7746 8.5597 120.7299 67.1629 68.4682 176.4660 7 M 3.5641 7.6766 119.4863 58.6178 32.0814 178.7713 8 T 3.7349 7.5510 115.2743 66.3138 68.5195 176.3761 9 K 3.8103 7.8952 121.4446 59.4594 32.2776 178.6529 10 K 4.0105 7.8743 119.7870 59.6027 31.9690 178.7016 11 F 4.5386 8.2637 118.1847 60.7254 38.8912 177.5882 12 L 3.9902 8.5118 119.0160 57.9250 41.4246 179.4539 13 E 4.1203 8.5592 118.7928 59.4045 29.3742 179.1042 14 E 4.0137 8.3471 119.2405 59.1502 29.6951 178.6884 15 A 4.0461 8.4823 121.3873 55.0338 18.4108 179.3836 16 F 4.1395 8.9441 119.3722 61.2510 39.4989 177.1292 17 A 4.0190 8.3597 120.5529 55.2974 18.2750 179.8633 18 G 3.5665 8.5237 104.5243 48.0014 0.0000 175.7755 19 E 3.9799 8.5629 121.2915 59.1310 29.4643 179.5501 20 S 3.8773 7.7595 115.2008 61.8578 62.8780 176.7419 21 M 3.9575 7.9906 121.0787 58.1050 31.5489 178.7449 22 A 3.4632 7.8564 121.0025 55.0582 18.5193 179.0336 23 H 3.9970 8.0909 116.7716 59.5659 29.8972 177.0546 24 M 3.8781 7.9614 119.7256 58.7298 32.1320 178.1098 25 R 3.3160 7.9572 118.4117 59.5563 30.1892 178.7350 26 Y 4.4298 7.5688 116.2944 60.9686 37.6654 178.5909 27 L 4.0329 7.8906 120.1531 57.7022 41.8186 179.5890 28 I 3.6876 7.6896 119.8644 64.4488 36.9998 178.5860 29 F 4.3961 8.2732 118.6977 60.0742 38.4820 177.6883 30 A 4.1842 7.8863 120.6957 55.2826 18.4067 179.1901 31 E 3.9277 7.9396 117.9141 59.4501 29.7930 179.0032 32 K 4.0470 8.1425 119.0288 59.3406 32.1576 178.7431 33 A 4.3690 8.5090 123.8929 55.6630 18.2470 180.1377 34 E 3.9777 8.4127 116.8535 61.5905 29.6813 181.3251 35 Q 4.2057 7.7244 117.5857 58.7630 28.8692 178.3881 36 E 4.2895 8.0067 116.2489 55.6719 30.0465 176.3204 37 G 3.5582 8.1529 107.0104 47.1575 0.0000 174.6718 38 F 5.1202 8.0825 114.8053 54.4752 39.4393 174.6351 39 P 4.3175 0.0000 0.0000 65.9898 31.5767 178.5565 40 N 4.3527 8.1811 115.7975 56.1296 38.5152 177.2717 41 I 3.5379 7.8284 120.5799 64.0661 37.1742 177.9080 42 A 4.2780 8.3646 121.8629 55.3881 18.2615 179.4380 43 K 3.8377 8.3076 118.0891 59.7383 32.1720 178.6882 44 L 3.9102 7.9606 120.4585 57.9680 41.9116 178.7793 45 F 4.2472 8.3274 118.1857 60.8718 38.9325 177.9393 46 R 4.0216 8.4349 117.3971 59.0949 29.9428 179.0395 47 A 4.0630 8.1690 120.5528 55.4254 18.4017 179.8397 48 I 3.7685 7.8865 118.1753 64.3141 37.1266 178.3848 49 A 4.2653 8.5123 121.9920 55.6166 18.2124 179.0605 50 Y 4.1181 8.2761 117.6939 60.7692 38.8647 178.0887 51 A 3.9239 8.1191 121.5871 55.2091 18.4038 179.4265 52 E 4.0257 8.5409 117.2460 59.4470 29.4696 179.2689 53 F 3.9207 8.2298 120.7389 61.1269 39.3696 177.3124 54 V 3.1378 7.3934 117.6916 66.2130 31.3368 177.7448 55 H 4.1238 7.8970 115.5969 58.8150 28.5051 177.7140 56 A 4.1151 8.1501 122.9289 54.9087 18.1328 179.5819 57 K 3.7678 7.7614 118.1591 59.6136 32.1330 178.5307 58 N 4.2647 8.0168 116.6981 56.8908 38.4553 177.0677 59 H 4.2935 8.2091 117.2247 58.7523 28.9374 177.5582 60 F 3.7847 8.7627 122.8140 61.3448 39.1669 177.1607 61 I 3.6323 8.3092 119.4448 64.4825 36.9598 178.3025 62 A 4.0074 8.2712 121.6543 55.0286 17.9495 178.9508 63 L 4.1516 7.7768 115.3363 55.0098 41.7545 177.7130 64 G 3.7309 7.8801 107.4169 46.3331 0.0000 174.6529 65 K 3.8181 7.2588 117.4136 55.6708 32.4108 176.3152 66 L 4.7335 7.5309 121.6448 53.2528 43.5956 175.0193 67 G 4.3254 8.6655 118.4251 44.9243 0.0000 172.9487 68 K 4.3609 8.4956 121.3077 55.4916 34.5326 177.6787 69 T 3.8746 8.4453 117.8115 66.8393 68.3624 174.7267 70 P 4.2575 0.0000 0.0000 65.5713 31.3992 178.4386 71 E 4.0771 8.0968 115.7639 59.0993 29.7982 178.6098 72 N 4.3216 8.4302 117.9444 56.1406 38.5157 177.3077 73 L 3.6744 8.2409 120.8135 57.6411 41.7043 179.1242 74 Q 3.9699 8.0354 119.5126 59.6815 28.9477 178.5641 75 M 4.1691 8.1247 119.7156 58.0479 31.8792 178.8122 76 G 3.5146 7.9263 105.9843 47.9563 0.0000 175.5787 77 I 3.8712 8.0751 123.1620 64.1271 37.1043 178.4323 78 E 4.1070 8.4669 119.4063 59.2467 29.2905 179.5094 79 G 3.7856 8.2293 105.7122 48.1679 0.0000 175.4949 80 E 4.1504 8.7080 122.0011 59.3481 29.4567 179.7817 81 T 3.9707 8.1093 115.8708 66.4153 68.4759 176.5962 82 F 4.2158 8.5097 122.7351 61.3545 39.3918 176.8838 83 E 3.5163 8.1816 118.1170 59.3434 29.0814 179.6966 84 V 3.5503 7.6648 116.6192 66.0180 31.7852 177.3303 85 E 4.3140 8.0430 116.0564 57.5513 30.1844 176.4412 86 E 4.3890 7.5194 115.0013 58.1252 31.7299 177.6163 87 M 3.3286 7.2477 117.8845 58.6279 32.2610 178.1155 88 Y 4.2025 7.5687 116.6337 60.4147 38.0381 176.6404 89 P 4.2781 0.0000 0.0000 65.6770 31.3680 178.7679 90 V 3.5871 7.3067 115.3988 66.2367 31.4284 177.6824 91 Y 4.3334 8.2261 116.8036 61.1022 37.7406 177.9307 92 N 4.4333 8.7166 119.7347 56.1258 39.0337 176.7431 93 K 3.9961 8.4206 120.7976 59.3656 32.2499 178.5901 94 A 4.0564 8.5249 121.2309 55.1156 18.2787 179.3540 95 A 3.9656 8.4070 119.7028 55.3028 18.5749 179.4574 96 E 3.8647 8.3347 117.6868 59.5528 29.5678 178.7714 97 F 4.2020 8.3100 119.3131 61.0553 39.5191 176.1844 98 Q 4.2206 8.1840 115.0934 55.3133 28.9277 176.3797 99 G 3.7947 7.6203 107.6431 46.7250 0.0000 175.1156 100 E 4.4005 8.2185 122.5803 54.3760 28.2513 176.4540 101 K 3.9593 8.1257 124.0571 59.6228 32.9654 179.0365 102 E 3.8858 8.1274 119.2363 59.2531 29.4665 178.9478 103 A 3.9848 7.9115 120.3510 54.9008 18.5057 179.5168 104 V 3.5118 8.0639 117.2360 66.1437 31.4626 178.2026 105 R 3.5193 7.8811 118.3870 59.6942 29.9596 178.7063 106 T 3.8482 7.9474 109.7690 64.7314 68.2681 176.6649 107 T 3.7980 7.9807 112.9471 64.6522 68.8668 176.2539 108 H 4.1473 8.1300 121.0180 59.2160 29.4147 176.6178 109 Y 4.3440 8.1993 118.6397 61.2456 37.7479 178.7075 110 A 3.7928 7.8697 121.2134 55.2087 18.2563 178.9564 111 L 3.6509 7.4747 118.5806 58.9541 41.8907 179.2284 112 E 4.0468 8.0590 117.4329 59.2770 29.5321 179.0901 113 A 3.9939 7.6636 120.1583 54.9893 18.5217 179.5421 114 E 3.8665 8.1120 117.0787 59.2030 29.5979 179.6246 115 K 3.9280 7.6048 117.4218 59.5696 32.1827 179.3282 116 I 3.7191 7.5146 119.4570 64.4982 37.0237 178.0425 117 H 3.8741 7.6406 116.7834 58.6866 28.4650 177.5282 118 A 4.0833 7.8572 122.4576 55.3571 18.1404 179.2609 119 E 3.8685 7.7289 116.5129 59.4855 29.5935 179.0872 120 L 3.9457 7.7505 118.8336 57.9589 41.5749 179.1194 121 Y 4.4327 7.8644 116.8511 60.8516 37.5750 178.1845 122 R 3.9319 8.4353 120.1246 59.5266 29.7187 178.8108 123 K 4.0049 8.3740 118.1933 59.4450 31.9644 179.3165 124 A 4.0882 8.4684 121.4265 54.7457 18.2401 179.5897 125 K 3.8605 8.3702 118.5885 59.4905 32.0860 178.4204 126 E 3.9186 7.9014 119.5291 59.4713 29.5290 179.1181 127 K 3.9214 7.7706 117.2808 59.5022 32.2660 179.3389 128 A 4.3364 8.3416 125.0455 54.8216 18.0238 180.0018 *129 E 4.0049 8.3814 117.1279 60.9430 29.8301 181.6483 130 K 4.5168 7.3819 116.7850 56.8164 32.8656 178.1019 131 G 3.8831 7.9995 108.9638 47.0888 0.0000 174.9669 *132 E 4.3187 7.8887 116.8126 54.6966 30.6736 181.1582 133 D 4.5630 8.3764 122.3870 53.0092 42.1319 175.7887 134 I 4.0200 8.1432 118.3986 61.1528 38.5297 175.5115 135 E 4.5104 8.9835 119.9386 53.6222 31.1959 177.2984 136 I 4.8177 7.9753 134.4357 59.6058 38.5228 171.6682 *137 K 4.2101 8.5392 131.2940 56.5283 31.6699 174.1225 *138 K 4.9255 8.1823 122.7460 52.9440 35.8059 176.9840 139 V 4.4833 9.0590 124.4698 60.5754 34.3561 173.7826 140 Y 5.3910 9.5931 125.5396 56.3557 41.0095 174.6215 141 I 5.1694 9.1792 124.7902 59.3593 40.9888 174.4346 142 C 3.8280 9.2320 128.8258 58.4343 31.8836 172.4202 143 P 4.4798 0.0000 0.0000 64.1864 31.5271 176.6752 144 I 4.1642 7.5300 119.2010 62.6693 38.3243 176.0812 145 C 4.0737 7.6112 110.5594 56.9622 30.5020 174.6787 146 G 3.8652 8.1201 108.6743 45.3042 0.0000 173.0665 147 Y 4.1367 7.6834 120.9694 58.5870 39.7757 175.0598 148 T 5.2093 7.5060 121.4974 61.7082 71.5189 173.3326 149 A 4.6301 9.1908 127.2835 50.4862 22.7848 175.2827 150 V 4.4146 8.4852 115.4474 61.5092 32.8885 175.9510 151 D 4.9347 10.3658 130.5036 54.8659 40.1291 174.3447 152 E 4.3357 7.8021 116.9403 53.6023 32.1145 174.8775 153 A 3.3996 7.2417 129.1924 51.1876 18.9102 175.1174 154 P 4.3729 0.0000 0.0000 61.9714 32.6297 176.3045 155 E 4.2466 8.5213 118.9392 59.3821 30.3122 176.5390 156 Y 5.3503 7.2739 114.4646 54.9718 41.7989 174.7361 157 C 4.2728 9.5912 122.3487 59.0702 31.9769 172.7684 158 P 4.2877 0.0000 0.0000 64.7060 31.4277 177.5569 159 V 3.9700 7.5195 118.4955 64.7595 31.9108 176.0842 160 C 4.6451 8.1064 110.6924 57.5492 31.0367 174.6213 161 G 3.9792 8.3891 108.2763 44.9215 0.0000 173.5747 162 A 4.1533 7.7426 123.2098 50.9099 19.2170 175.6435 163 P 4.6859 0.0000 0.0000 62.5955 32.1445 177.6119 164 K 4.0399 8.9603 122.5212 59.9459 32.2910 177.8034 165 E 4.2919 8.1207 115.5901 57.5704 29.7748 177.2995 166 K 4.2009 8.4069 120.0344 58.0583 32.6590 177.0304 167 F 4.3231 7.9225 117.6734 58.1243 39.5564 175.1934 168 V 4.1581 9.2327 124.0856 62.2502 32.7770 174.8642 169 V 4.4004 8.2038 127.3000 60.0630 33.4759 175.0907 170 F 4.6767 9.2825 123.4316 55.5001 41.5591 175.4930 171 E 4.8652 8.4643 120.5125 55.3021 29.6309 175.3899 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 2 V 8.05 4.15 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 0.88 0.00 0.00 0.87 0.00 0.00 3 V 8.25 3.54 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 0.76 0.00 0.00 0.91 0.00 0.00 4 K 9.24 4.39 0.00 1.96 1.74 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 0.98 7.81 5 R 7.84 3.90 0.00 1.75 1.80 0.00 3.27 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 6 T 8.56 3.77 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 1.13 0.00 0.00 7 M 7.68 3.56 0.00 1.39 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 8 T 7.55 3.73 4.17 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 0.00 0.00 1.22 0.00 0.00 9 K 7.90 3.81 0.00 1.83 1.95 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.37 7.81 10 K 7.87 4.01 0.00 1.80 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.55 7.81 11 F 8.26 4.54 0.00 3.24 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 12 L 8.51 3.99 0.00 1.82 1.73 0.98 0.92 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 13 E 8.56 4.12 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 2.31 2.28 0.00 14 E 8.35 4.01 0.00 2.18 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 2.32 2.38 0.00 15 A 8.48 4.05 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 16 F 8.94 4.14 0.00 3.19 3.30 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 0.00 17 A 8.36 4.02 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 18 G 8.52 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.56 3.98 0.00 1.96 1.92 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 2.62 2.58 0.00 20 S 7.76 3.88 0.00 3.73 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 21 M 7.99 3.96 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 22 A 7.86 3.46 1.12 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 0.00 0.00 23 H 8.09 4.00 0.00 3.29 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.96 3.88 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 25 R 7.96 3.32 0.00 1.46 1.15 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.57 0.00 26 Y 7.57 4.43 0.00 3.12 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 27 L 7.89 4.03 0.00 1.79 1.67 0.89 0.79 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 28 I 7.69 3.69 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.90 0.00 0.00 29 F 8.27 4.40 0.00 1.96 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 30 A 7.89 4.18 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 31 E 7.94 3.93 0.00 2.16 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 0.00 2.34 2.35 0.00 32 K 8.14 4.05 0.00 2.02 2.01 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.71 7.81 33 A 8.51 4.37 1.77 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 0.00 0.00 34 E 8.41 3.98 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 2.24 2.22 0.00 35 Q 7.72 4.21 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 36 E 8.01 4.29 0.00 2.33 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 2.36 2.38 0.00 37 G 8.15 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.08 5.12 0.00 3.30 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 39 P 0.00 4.32 0.00 2.29 2.34 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 40 N 8.18 4.35 0.00 2.79 2.90 0.00 0.00 7.17 7.45 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 41 I 7.83 3.54 2.03 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 1.37 0.59 0.66 0.00 0.00 42 A 8.36 4.28 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 0.00 0.00 0.00 0.00 0.00 43 K 8.31 3.84 0.00 2.05 2.03 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.33 7.81 44 L 7.96 3.91 0.00 1.68 1.58 0.82 0.63 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 45 F 8.33 4.25 0.00 3.35 3.27 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 46 R 8.43 4.02 0.00 2.06 2.04 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 47 A 8.17 4.06 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 48 I 7.89 3.77 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.91 0.00 0.00 49 A 8.51 4.27 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 50 Y 8.28 4.12 0.00 3.17 3.27 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 51 A 8.12 3.92 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 52 E 8.54 4.03 0.00 2.18 2.27 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 2.81 2.61 0.00 53 F 8.23 3.92 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.14 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 0.92 0.00 0.00 0.74 0.00 0.00 55 H 7.90 4.12 0.00 3.44 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.15 4.12 1.14 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 0.00 0.00 57 K 7.76 3.77 0.00 1.08 1.49 0.00 1.63 0.00 0.00 1.40 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.37 7.81 58 N 8.02 4.26 0.00 2.87 2.83 0.00 0.00 7.09 7.71 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 59 H 8.21 4.29 0.00 3.57 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.76 3.78 0.00 3.12 3.18 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 61 I 8.31 3.63 1.94 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 1.53 0.81 0.91 0.00 0.00 62 A 8.27 4.01 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 63 L 7.78 4.15 0.00 1.52 1.46 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.88 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 0.00 0.00 0.00 65 K 7.26 3.82 0.00 0.79 0.74 0.00 0.86 0.00 0.00 1.09 0.00 0.00 2.51 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.97 0.88 7.81 66 L 7.53 4.73 0.00 1.83 1.61 1.04 1.03 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 67 G 8.67 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.36 0.00 1.83 1.73 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 T 8.45 3.87 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 1.21 0.00 0.00 70 P 0.00 4.26 0.00 2.15 2.10 0.00 3.52 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 71 E 8.10 4.08 0.00 2.17 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 2.62 2.37 0.00 72 N 8.43 4.32 0.00 2.87 2.87 0.00 0.00 6.90 7.58 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 73 L 8.24 3.67 0.00 1.78 1.67 0.90 0.61 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 74 Q 8.04 3.97 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 75 M 8.12 4.17 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 76 G 7.93 3.51 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 0.00 0.00 0.00 77 I 8.08 3.87 2.06 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 1.65 0.75 0.97 0.00 0.00 78 E 8.47 4.11 0.00 2.03 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 2.35 2.35 0.00 79 G 8.23 3.79 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 0.00 0.00 0.00 80 E 8.71 4.15 0.00 2.10 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 2.82 2.76 0.00 81 T 8.11 3.97 4.51 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 1.26 0.00 0.00 82 F 8.51 4.22 0.00 3.03 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 83 E 8.18 3.52 0.00 2.37 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 2.32 2.66 0.00 84 V 7.66 3.55 2.16 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 0.83 0.00 0.00 0.97 0.00 0.00 85 E 8.04 4.31 0.00 2.04 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 2.51 0.00 86 E 7.52 4.39 0.00 1.77 1.66 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 2.29 2.39 0.00 87 M 7.25 3.33 0.00 1.08 0.57 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.88 0.00 88 Y 7.57 4.20 0.00 3.16 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 89 P 0.00 4.28 0.00 2.12 2.11 0.00 3.53 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 90 V 7.31 3.59 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 1.22 0.00 0.00 0.95 0.00 0.00 91 Y 8.23 4.33 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.37 3.86 0.00 2.04 1.84 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.57 7.81 126 E 7.90 3.92 0.00 2.22 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 2.32 2.38 0.00 127 K 7.77 3.92 0.00 2.15 2.01 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.33 7.81 128 A 8.34 4.34 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 *129 E 8.38 4.00 0.00 2.04 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 2.27 2.20 0.00 130 K 7.38 4.52 0.00 1.96 1.92 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.38 7.81 131 G 8.00 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 0.00 0.00 0.00 *132 E 7.89 4.32 0.00 1.93 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 2.22 2.11 0.00 133 D 8.38 4.56 0.00 2.64 2.61 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 0.00 0.00 0.00 0.00 134 I 8.14 4.02 1.88 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 1.30 0.72 0.93 0.00 0.00 135 E 8.98 4.51 0.00 2.00 1.76 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 2.15 1.85 0.00 136 I 7.98 4.82 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 1.27 0.88 0.91 0.00 0.00 *137 K 8.54 4.21 0.00 1.68 1.84 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.44 1.00 7.81 *138 K 8.18 4.93 0.00 1.36 1.64 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.21 7.81 139 V 9.06 4.48 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 0.73 0.00 0.00 0.91 0.00 0.00 140 Y 9.59 5.39 0.00 3.09 2.99 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 0.00 141 I 9.18 5.17 2.09 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 1.32 0.96 0.95 0.00 0.00 142 C 9.23 3.83 0.00 2.14 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 0.00 143 P 0.00 4.48 0.00 2.18 2.13 0.00 3.45 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.12 0.00 144 I 7.53 4.16 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.82 0.00 0.00 145 C 7.61 4.07 0.00 1.91 1.65 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 0.00 146 G 8.12 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 0.00 147 Y 7.68 4.14 0.00 3.03 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 0.00 148 T 7.51 5.21 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 1.14 0.00 0.00 149 A 9.19 4.63 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 0.00 150 V 8.49 4.41 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 0.71 0.00 0.00 0.92 0.00 0.00 151 D 10.37 4.93 0.00 2.88 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 0.00 152 E 7.80 4.34 0.00 1.79 1.69 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 2.07 2.13 0.00 153 A 7.24 3.40 0.13 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 0.00 154 P 0.00 4.37 0.00 2.06 1.87 0.00 2.57 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 155 E 8.52 4.25 0.00 1.94 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 2.35 2.26 0.00 156 Y 7.27 5.35 0.00 3.00 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 0.00 157 C 9.59 4.27 0.00 3.00 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 0.00 158 P 0.00 4.29 0.00 2.02 1.86 0.00 2.85 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.43 0.00 159 V 7.52 3.97 1.95 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 0.89 0.00 0.00 0.92 0.00 0.00 160 C 8.11 4.65 0.00 3.02 2.56 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 0.00 0.00 0.00 161 G 8.39 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 0.00 0.00 0.00 162 A 7.74 4.15 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 0.00 163 P 0.00 4.69 0.00 2.43 2.24 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 164 K 8.96 4.04 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.36 7.81 165 E 8.12 4.29 0.00 2.03 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 2.34 2.39 0.00 166 K 8.41 4.20 0.00 2.13 1.79 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.28 7.81 167 F 7.92 4.32 0.00 3.20 3.32 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 0.00 168 V 9.23 4.16 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 0.83 0.00 0.00 0.95 0.00 0.00 169 V 8.20 4.40 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 0.66 0.00 0.00 0.41 0.00 0.00 170 F 9.28 4.68 0.00 2.99 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 0.00 171 E 8.46 4.87 0.00 1.97 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 2.09 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.