NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.2159 7.8833 114.2895 61.0372 39.7771 177.6961 6 E 3.9687 7.9886 121.4686 56.4260 29.5042 177.2850 7 D 4.4493 8.8833 119.7711 56.0789 39.9400 178.0427 8 H 4.2639 8.1538 117.8713 58.9421 28.9336 177.4560 9 I 3.7587 7.4292 120.7820 64.5663 37.0158 178.6662 10 S 4.1573 8.3426 116.1148 61.4896 62.5300 176.6559 11 F 4.1177 8.3014 123.3254 61.2482 39.1328 176.9395 12 L 3.6394 8.2657 120.2263 58.1875 41.8226 178.8555 13 E 3.9413 8.3263 118.6348 59.0586 29.3384 179.1552 14 K 3.9306 7.9116 119.7329 59.2161 32.2238 178.7236 15 F 3.9337 8.0664 121.3598 61.1894 39.2351 177.2370 16 I 3.5189 7.9913 119.7260 64.3594 36.8400 177.9966 17 N 4.2470 8.1180 117.8767 56.7444 38.7624 176.7236 18 D 4.2673 8.1698 120.5235 56.9911 40.7368 179.0104 19 V 3.3214 7.4010 118.8422 66.0079 31.4723 177.8403 20 N 4.2423 8.0456 116.2332 56.7178 38.3233 177.5999 21 T 3.8303 8.1830 117.4815 66.4203 68.4710 176.6173 22 L 3.9724 7.8772 122.3692 58.1786 42.0747 179.0967 23 T 3.7780 8.1380 115.7614 66.5393 68.3481 176.2652 24 A 3.9889 8.1884 122.9059 55.1847 18.1373 179.8501 25 K 3.8762 7.5818 115.0315 59.8007 32.3228 179.4502 26 L 4.1140 8.3690 117.8590 56.9891 41.8100 178.5884 27 L 4.5411 7.9522 116.8744 54.2217 42.2142 178.0558 28 K 3.8911 7.8140 121.0260 59.7128 32.0904 178.0098 29 D 4.4261 8.0480 119.6709 56.7579 40.7138 178.1485 30 L 4.1066 8.0639 120.0797 58.6377 41.9760 178.9663 31 Q 4.2030 8.4074 117.9166 59.2847 28.7362 178.9822 32 T 3.9281 8.2328 110.9570 64.7956 68.6504 176.1430 33 E 4.0220 8.6352 121.6577 58.7520 29.6416 177.5482 34 Y 4.3543 7.8263 114.6184 57.0190 38.6074 176.1021 35 G 3.8927 8.1551 107.9840 46.2044 0.0000 173.3088 36 I 4.4810 7.6804 111.8401 58.2911 40.2284 175.8617 37 S 4.5312 8.1599 116.9431 57.3678 65.7348 174.9755 38 A 4.1447 8.3721 122.9024 55.1916 18.1096 179.5233 39 E 3.9735 8.1176 115.8150 59.7353 29.6684 179.3214 40 Q 3.9974 7.7632 118.0683 58.4486 28.6556 178.3981 41 S 3.9783 8.0597 114.3507 61.7345 62.5149 175.7552 42 H 4.1979 8.6446 121.2556 59.2081 29.5147 177.4193 43 V 3.5581 7.6235 119.7736 65.7069 31.2251 177.9645 44 L 3.9835 8.1251 119.0117 57.7763 41.2052 179.0255 45 N 4.3452 8.2169 116.3905 57.0268 39.0124 176.5724 46 M 4.1909 7.8733 120.0294 58.3390 31.6630 178.6148 47 L 4.4738 8.3882 120.1794 56.4286 41.6010 179.0851 48 S 4.3492 7.6389 113.3424 60.4733 63.1438 175.8995 49 I 4.0160 7.3072 123.5334 62.4032 37.4210 175.5311 50 E 4.8244 6.8521 114.1766 55.2865 32.3304 175.4318 51 A 4.3840 8.5187 122.0828 52.3256 19.2106 176.7491 52 L 4.9309 8.8426 120.0539 53.3629 47.0163 175.9451 53 T 4.7930 8.1753 110.5572 59.7686 71.0647 175.9951 54 V 3.7333 8.4428 120.7262 65.8887 31.3945 178.1781 55 G 3.5976 7.9938 105.3366 47.8490 0.0000 175.6606 56 Q 4.0562 8.0520 120.3258 58.7032 28.6407 178.8177 57 I 3.7079 7.6568 120.5928 64.4016 36.9408 178.5810 58 T 3.8323 7.9429 116.6301 66.7150 68.1292 176.1754 59 E 3.9906 7.8727 118.9001 59.7299 29.6331 179.5215 60 K 4.1078 8.0696 116.9943 59.3236 32.5684 178.7018 61 Q 4.2222 8.5626 119.5537 56.3830 28.9589 177.5850 62 G 4.0205 8.7280 107.2324 45.4937 0.0000 173.9171 63 V 4.0155 6.8834 111.6228 59.6506 32.9903 175.2440 64 N 4.2894 8.5288 118.8750 53.9865 39.2113 175.4163 65 K 4.0642 9.0733 126.4579 58.9069 32.1628 178.5894 66 A 4.1230 7.9811 120.0603 54.4014 18.1991 179.0989 67 A 4.0312 7.9457 119.5125 54.7222 18.2965 180.0204 68 V 3.5903 7.6354 116.7488 66.0874 31.7886 177.9471 69 S 4.0484 8.0486 112.9147 61.2027 62.1189 176.1469 70 R 3.8534 8.0071 121.4616 59.5198 29.9088 178.7151 71 R 3.9026 7.6280 117.4456 59.3162 30.0691 179.2904 72 V 3.5999 8.0378 118.1883 65.8403 31.5204 178.2678 73 K 3.9674 8.4350 118.6903 59.4854 31.9447 179.5518 74 K 4.0268 8.1133 118.7252 59.3970 31.8502 179.4574 75 L 4.0445 7.9931 119.3000 57.3964 41.3930 179.5130 76 L 4.1711 7.8034 119.2906 57.7019 41.4715 178.8372 77 N 4.3468 8.1402 115.6671 56.0519 38.9500 175.7721 78 A 4.3716 7.7014 119.4621 51.0874 19.1629 176.7240 79 E 3.8128 8.0641 115.9330 57.4682 27.7616 175.1827 80 L 4.5327 8.1927 117.4746 55.2824 42.7220 176.5177 81 V 4.8106 7.4511 118.0547 61.2682 34.7777 173.4126 82 K 4.7839 9.2408 125.2999 55.1414 36.0502 175.2123 83 L 4.8178 8.5236 120.7765 53.6797 43.8342 175.2744 84 E 3.1912 8.2796 118.8035 56.7686 29.1007 174.5523 *95 K 3.9557 8.2728 123.2573 56.6999 33.2634 174.5112 96 I 4.4168 8.0546 125.7478 60.3527 38.5900 175.1425 97 I 4.8060 9.1082 129.7560 60.2814 38.8484 175.2207 98 K 4.9337 8.7909 124.2335 54.9676 36.2484 175.6190 99 L 4.5543 8.6361 121.7534 55.5541 42.6689 177.4214 100 S 4.7625 8.1152 116.9053 57.1627 65.8345 174.3325 101 N 4.4221 8.6304 116.1011 56.6996 38.1613 177.5462 102 K 4.2437 8.1063 119.8079 59.3907 32.2905 179.5218 103 G 3.6549 8.0509 105.7718 47.5230 0.0000 176.0490 104 K 4.0337 8.1251 120.7798 59.2175 32.1824 179.4872 105 K 3.9583 8.1875 118.7356 59.6205 31.9345 178.3714 106 Y 3.7119 7.9741 119.6136 61.0353 38.6119 178.4938 107 I 3.4843 7.8715 120.2527 64.2855 37.0679 178.6594 108 K 4.0405 8.0630 119.3872 59.3950 31.8062 179.2967 109 E 3.9096 7.9976 118.8118 59.0877 29.3394 179.2293 110 R 3.6318 7.7297 118.9949 59.1938 30.0924 178.7784 111 K 3.8586 8.3929 118.3057 59.3390 32.0824 178.8391 112 A 3.9566 8.1243 121.4220 55.7357 17.8179 179.4030 113 I 3.5684 7.8135 117.8675 64.9102 37.2434 178.3680 114 M 4.0303 8.3250 119.1766 58.7605 31.8229 179.3022 115 S 4.0704 8.6947 115.3900 61.9019 62.8313 175.5768 116 H 3.9807 8.1927 121.0071 59.6743 29.4846 176.9164 117 I 3.6787 7.6884 113.4652 64.0705 37.4505 177.9469 118 A 3.9463 7.8867 122.9894 54.7522 18.2228 179.8187 119 S 4.0382 8.2350 112.8276 61.5085 62.7681 176.5270 120 D 4.3469 7.4981 121.8821 57.3172 40.7301 178.0659 121 M 4.2241 7.9688 117.2378 57.3772 32.4302 176.5970 122 T 3.3692 7.1182 107.1144 60.7115 69.4348 175.6489 123 S 4.1240 7.5517 116.4549 60.6648 62.8055 174.5125 124 D 4.8769 7.7401 118.5485 52.8897 40.0939 176.4659 125 F 4.3755 8.1489 119.9128 57.7137 39.5406 175.1270 126 D 4.6432 8.6225 124.2899 53.3377 41.2263 177.2606 127 S 4.3360 8.6609 123.1353 60.4156 62.8212 176.0563 128 K 4.0719 8.3859 122.5824 59.2881 31.9898 178.6083 129 E 4.1049 8.1949 118.4358 59.4521 29.4698 179.2115 130 I 3.7292 7.9923 120.2358 64.2121 37.1689 178.2936 131 E 3.9981 8.0027 117.6122 59.0845 29.4639 179.3820 132 K 4.0373 7.8039 119.6470 59.0922 32.0426 179.4841 133 V 3.5739 7.5477 118.3222 65.8023 31.5300 177.7810 134 R 3.8878 8.2082 118.6935 59.6301 29.9347 178.3033 135 Q 3.9822 8.1018 117.7047 59.2403 28.7532 179.3494 136 V 3.6471 7.7165 118.5289 65.8369 31.4338 177.9659 137 L 4.1599 7.9299 118.7596 57.2945 41.4299 179.1552 138 E 4.0461 8.3770 119.0965 59.3524 29.4297 179.3092 139 I 3.7879 7.8074 119.9231 64.3478 37.0551 178.5950 140 I 3.7835 7.8335 120.7691 64.3497 36.8682 177.9240 141 D 4.3298 8.5075 119.2894 57.3951 41.1637 177.4346 142 Y 4.0802 8.3110 120.1788 61.1235 38.7976 178.6150 143 R 4.0035 8.3351 118.6735 59.1166 30.1225 179.1342 144 I 3.6813 8.0145 119.9178 64.7161 37.1409 178.4194 145 Q 4.0180 8.2679 118.8217 59.1239 28.5336 179.5286 146 S 3.9972 7.7076 115.7282 61.6340 62.6597 176.1825 147 Y 3.7921 7.8824 118.3537 61.2385 37.6737 178.3961 148 T 4.0360 7.8853 115.5554 66.7559 68.6675 175.8183 149 S 4.2050 7.9463 113.9944 62.9152 62.7403 174.8528 150 K 4.4565 7.5211 118.9747 55.1933 35.5311 176.8599 151 L 4.1674 8.3718 119.8716 56.0244 41.5945 176.9339 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 5 I 7.88 4.22 1.88 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 1.44 0.77 0.91 0.00 0.00 6 E 7.99 3.97 0.00 2.14 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 2.41 2.44 0.00 7 D 8.88 4.45 0.00 2.90 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 8 H 8.15 4.26 0.00 3.39 3.43 0.00 5.62 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 9 I 7.43 3.76 1.91 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 1.54 0.97 0.93 0.00 0.00 10 S 8.34 4.16 0.00 4.08 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 11 F 8.30 4.12 0.00 3.24 3.34 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 12 L 8.27 3.64 0.00 1.84 1.84 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.33 3.94 0.00 2.17 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 0.00 2.32 2.47 0.00 14 K 7.91 3.93 0.00 1.83 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 15 F 8.07 3.93 0.00 2.40 2.83 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 16 I 7.99 3.52 1.95 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 1.79 0.73 0.87 0.00 0.00 17 N 8.12 4.25 0.00 2.79 2.74 0.00 0.00 7.27 7.79 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 18 D 8.17 4.27 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.40 3.32 1.85 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 0.96 0.00 0.00 0.13 0.00 0.00 20 N 8.05 4.24 0.00 2.83 2.79 0.00 0.00 7.11 6.65 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 21 T 8.18 3.83 4.20 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 1.18 0.00 0.00 22 L 7.88 3.97 0.00 1.79 1.72 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.14 3.78 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 1.19 0.00 0.00 24 A 8.19 3.99 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 25 K 7.58 3.88 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 26 L 8.37 4.11 0.00 1.67 1.72 0.90 1.06 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 27 L 7.95 4.54 0.00 1.74 1.71 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.81 3.89 0.00 2.02 1.83 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 29 D 8.05 4.43 0.00 2.75 2.74 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 30 L 8.06 4.11 0.00 1.79 1.94 1.03 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.41 4.20 0.00 2.36 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 32 T 8.23 3.93 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 1.27 0.00 0.00 33 E 8.64 4.02 0.00 2.09 2.35 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 2.15 2.32 0.00 34 Y 7.83 4.35 0.00 3.00 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 35 G 8.16 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 36 I 7.68 4.48 1.76 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.85 0.00 0.00 37 S 8.16 4.53 0.00 4.06 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 0.00 38 A 8.37 4.14 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 39 E 8.12 3.97 0.00 2.18 2.23 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 2.36 2.34 0.00 40 Q 7.76 4.00 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 41 S 8.06 3.98 0.00 4.02 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 42 H 8.64 4.20 0.00 3.32 3.50 0.00 5.83 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 43 V 7.62 3.56 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 0.95 0.00 0.00 0.98 0.00 0.00 44 L 8.13 3.98 0.00 1.99 1.77 0.44 0.51 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 45 N 8.22 4.35 0.00 2.88 3.02 0.00 0.00 7.28 8.08 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 46 M 7.87 4.19 0.00 2.09 2.16 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 2.57 2.51 0.00 47 L 8.39 4.47 0.00 1.82 1.71 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.64 4.35 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.02 2.00 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 1.58 0.83 0.92 0.00 0.00 50 E 6.85 4.82 0.00 2.15 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 2.03 2.07 0.00 51 A 8.52 4.38 1.28 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 0.00 0.00 0.00 52 L 8.84 4.93 0.00 1.54 1.50 0.95 0.46 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 53 T 8.18 4.79 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 1.25 0.00 0.00 54 V 8.44 3.73 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 0.92 0.00 0.00 55 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 4.06 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 57 I 7.66 3.71 1.99 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 1.50 0.73 0.89 0.00 0.00 58 T 7.94 3.83 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 1.28 0.00 0.00 59 E 7.87 3.99 0.00 2.20 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 2.35 2.37 0.00 60 K 8.07 4.11 0.00 1.87 1.87 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 61 Q 8.56 4.22 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.54 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 62 G 8.73 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 63 V 6.88 4.02 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 0.67 0.00 0.00 0.94 0.00 0.00 64 N 8.53 4.29 0.00 2.75 2.70 0.00 0.00 6.49 6.08 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 65 K 9.07 4.06 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.37 7.81 66 A 7.98 4.12 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 67 A 7.95 4.03 1.33 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 68 V 7.64 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 1.15 0.00 0.00 0.93 0.00 0.00 69 S 8.05 4.05 0.00 3.94 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 70 R 8.01 3.85 0.00 2.17 2.03 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 71 R 7.63 3.90 0.00 2.10 1.95 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 72 V 8.04 3.60 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 1.02 0.00 0.00 0.95 0.00 0.00 73 K 8.43 3.97 0.00 2.02 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.59 7.81 74 K 8.11 4.03 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 75 L 7.99 4.04 0.00 1.86 1.68 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.80 4.17 0.00 1.88 1.70 0.95 0.57 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 77 N 8.14 4.35 0.00 2.72 2.99 0.00 0.00 7.20 7.24 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 78 A 7.70 4.37 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 79 E 8.06 3.81 0.00 2.10 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 2.40 2.26 0.00 80 L 8.19 4.53 0.00 1.52 1.62 0.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.45 4.81 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 0.76 0.00 0.00 0.97 0.00 0.00 82 K 9.24 4.78 0.00 1.79 1.85 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 83 L 8.52 4.82 0.00 1.55 1.63 0.92 0.95 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 84 E 8.28 3.19 0.00 2.05 1.87 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 2.24 2.22 0.00 *95 K 8.27 3.96 0.00 2.00 2.01 0.00 1.54 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 96 I 8.05 4.42 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 1.34 0.97 0.91 0.00 0.00 97 I 9.11 4.81 1.92 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 0.94 0.90 0.00 0.00 98 K 8.79 4.93 0.00 1.79 1.84 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 99 L 8.64 4.55 0.00 1.56 1.67 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.12 4.76 0.00 3.96 4.04 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 0.00 0.00 0.00 101 N 8.63 4.42 0.00 2.78 2.94 0.00 0.00 6.88 7.46 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 0.00 102 K 8.11 4.24 0.00 1.94 1.96 0.00 1.89 0.00 0.00 2.08 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.51 7.81 103 G 8.05 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 0.00 104 K 8.13 4.03 0.00 2.07 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.74 7.81 105 K 8.19 3.96 0.00 2.05 2.04 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 106 Y 7.97 3.71 0.00 2.42 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 0.00 107 I 7.87 3.48 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 1.81 0.66 0.88 0.00 0.00 108 K 8.06 4.04 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.64 7.81 109 E 8.00 3.91 0.00 2.16 1.87 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 2.33 2.30 0.00 110 R 7.73 3.63 0.00 1.27 1.79 0.00 3.05 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 111 K 8.39 3.86 0.00 1.92 1.80 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 112 A 8.12 3.96 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 0.00 113 I 7.81 3.57 1.97 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 1.48 1.00 0.88 0.00 0.00 114 M 8.33 4.03 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.83 0.00 115 S 8.69 4.07 0.00 3.87 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 0.00 116 H 8.19 3.98 0.00 3.38 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.69 3.68 1.86 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 1.44 0.70 0.98 0.00 0.00 118 A 7.89 3.95 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 0.00 119 S 8.23 4.04 0.00 3.99 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 0.00 120 D 7.50 4.35 0.00 2.71 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 0.00 121 M 7.97 4.22 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 122 T 7.12 3.37 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 0.71 0.00 0.00 123 S 7.55 4.12 0.00 4.01 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 0.00 124 D 7.74 4.88 0.00 2.86 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 0.00 125 F 8.15 4.38 0.00 3.02 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 0.00 126 D 8.62 4.64 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.66 4.34 0.00 4.12 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 0.00 128 K 8.39 4.07 0.00 1.82 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.62 7.81 129 E 8.19 4.10 0.00 2.10 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 2.37 2.29 0.00 130 I 7.99 3.73 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.11 1.01 0.00 0.00 131 E 8.00 4.00 0.00 2.23 2.23 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 2.57 2.35 0.00 132 K 7.80 4.04 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.57 7.81 133 V 7.55 3.57 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 1.01 0.00 0.00 0.87 0.00 0.00 134 R 8.21 3.89 0.00 1.98 2.10 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 135 Q 8.10 3.98 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 136 V 7.72 3.65 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 1.03 0.00 0.00 0.92 0.00 0.00 137 L 7.93 4.16 0.00 1.92 1.73 0.94 0.96 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 0.00 138 E 8.38 4.05 0.00 2.16 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 2.36 2.60 0.00 139 I 7.81 3.79 2.03 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 1.48 1.07 0.95 0.00 0.00 140 I 7.83 3.78 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 1.43 0.84 0.93 0.00 0.00 141 D 8.51 4.33 0.00 2.95 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 0.00 142 Y 8.31 4.08 0.00 3.22 3.24 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 0.00 143 R 8.34 4.00 0.00 2.17 2.10 0.00 3.28 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.04 0.00 144 I 8.01 3.68 2.06 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 1.51 0.99 0.92 0.00 0.00 145 Q 8.27 4.02 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 146 S 7.71 4.00 0.00 3.90 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 0.00 147 Y 7.88 3.79 0.00 3.04 3.04 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 0.00 0.00 0.00 148 T 7.89 4.04 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 1.22 0.00 0.00 149 S 7.95 4.20 0.00 3.92 4.04 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 0.00 0.00 0.00 150 K 7.52 4.46 0.00 1.68 1.69 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.56 7.81 151 L 8.37 4.17 0.00 1.60 1.59 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.