NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.6786 8.4449 120.3934 55.9061 30.9768 171.0844 5 I 4.3238 8.0175 118.9071 59.2445 39.2198 171.5162 6 E 4.7064 9.6087 126.0558 54.4401 32.6062 175.2343 7 R 4.7762 8.2135 121.2763 54.2617 33.1965 175.0159 8 F 4.7364 8.8867 119.7256 55.6615 41.7857 174.4457 9 E 4.8477 8.7697 124.1275 54.3930 32.3919 175.4279 10 V 4.3971 8.1729 119.8832 60.9917 34.3059 174.8140 11 V 4.3512 8.4366 126.2187 60.9224 33.0438 174.6067 12 K 4.6893 8.5837 126.1574 54.5807 34.4452 175.6691 13 R 4.7462 8.4010 121.0865 54.2746 33.4853 174.9302 14 R 4.4431 8.2868 119.6842 54.3140 32.9115 174.4908 15 A 4.3003 8.6122 128.2921 51.7229 18.5736 176.8797 16 E 4.0236 8.7027 122.5403 58.4120 30.4917 176.6217 *18 A 4.3313 7.7285 121.4282 51.8095 19.6356 174.9555 19 L 5.0592 8.5398 122.8843 53.2548 43.6190 175.7139 20 H 4.8492 9.1835 123.4490 54.6446 32.2868 175.4601 21 G 3.8400 8.5393 119.0612 47.0907 0.0000 172.2867 22 N 4.8540 9.0355 120.0565 52.8672 38.9828 173.2577 23 T 4.8967 7.9348 115.9702 61.6986 71.5145 173.3474 24 V 4.6730 8.7918 126.1762 61.3808 33.8517 173.6544 25 Y 4.8820 9.0951 126.4869 56.4227 38.2147 175.2019 26 I 4.6772 8.5647 125.4657 59.2298 39.8729 175.9674 27 G 3.9712 8.9659 114.2154 45.4329 0.0000 173.5343 28 G 4.0726 8.5299 108.1429 45.2876 0.0000 172.9006 29 Q 4.5029 8.5228 122.2457 53.9725 31.1482 175.2033 30 V 4.4160 7.6241 114.0953 58.5879 35.4326 175.0777 31 A 4.1108 7.9772 124.0487 52.1704 18.7611 177.8934 32 D 4.3867 8.8322 122.2432 56.3831 41.4907 175.8112 33 D 4.7878 8.8007 119.5529 51.8489 41.7554 173.4397 34 P 4.7409 0.0000 0.0000 62.9172 31.5643 177.5466 35 S 4.2801 8.2740 114.9473 60.6490 63.3443 175.0962 36 G 3.9188 7.5810 108.6462 44.5145 0.0000 173.4306 37 D 4.6769 8.3065 120.7563 52.3346 41.8775 176.8829 38 I 3.6513 8.2866 118.0507 64.5108 37.7752 177.4640 39 Q 3.9818 8.1018 118.2127 59.0623 28.4932 178.2659 40 D 4.3213 8.7049 119.2181 57.4857 41.3057 178.3200 41 Q 3.9951 8.3037 118.6884 59.1443 28.6554 178.7803 42 T 3.7887 8.2647 117.1873 66.6693 68.4556 176.8208 43 R 3.4774 7.9140 119.7958 59.1753 30.0249 179.0506 44 Q 3.9610 8.1128 117.7599 59.0646 28.6713 179.1068 45 I 3.6042 7.6691 120.5314 64.4716 37.1248 178.5701 46 L 3.7995 7.7093 119.7422 57.6329 41.1740 179.5135 47 E 4.1470 8.4788 119.0747 59.5146 29.3239 179.0923 48 N 4.3693 8.3827 116.6794 56.3172 38.5458 177.4613 49 I 3.7072 8.1385 121.5990 64.3905 37.1040 177.8755 50 D 4.4368 8.3356 119.8352 57.6160 40.7663 179.1453 51 R 3.8838 8.0091 118.7028 59.4147 29.7225 178.4787 52 L 3.9851 8.1753 118.9719 57.8271 41.6400 179.5499 53 L 3.9280 8.3455 119.2321 58.0664 41.6893 179.7090 54 Q 4.3002 8.7257 119.7503 58.2593 28.3697 178.8840 55 S 4.3144 8.0181 114.3280 60.3192 63.0120 175.3572 56 V 4.2002 7.0330 113.8760 60.9270 31.7681 176.0800 57 G 3.7962 8.2024 107.3176 45.9560 0.0000 173.3779 58 S 4.7549 7.7994 115.1876 56.5572 65.0207 171.7399 59 D 4.4820 8.1470 119.0442 52.1378 41.4409 175.7710 60 R 3.9236 8.7737 119.3982 59.4092 29.7094 176.8234 61 G 4.0477 8.4726 104.2004 45.6373 0.0000 173.7548 62 Q 4.5813 8.2792 118.3422 55.3214 29.3755 175.1406 63 V 4.2344 7.7005 117.7806 62.5452 32.7716 175.1616 64 L 4.6473 8.9623 126.8761 56.0870 43.5632 176.6660 65 S 5.2579 7.7017 111.5881 55.8206 66.9950 172.9538 66 V 4.8063 8.7532 121.5157 61.3027 34.5360 173.9121 67 R 4.7525 8.8840 129.3025 55.3232 31.1580 175.2887 68 I 4.5217 8.7941 128.0041 59.5699 39.7936 174.5243 69 L 4.7854 9.0270 128.3871 53.0957 43.5603 175.1626 70 L 4.8313 8.6687 126.9744 53.2027 43.5715 177.1469 71 A 4.3612 8.7901 128.5492 54.0940 19.3220 177.7263 72 H 4.8246 7.9047 112.0440 53.1400 32.6899 173.9127 73 R 3.8760 9.0105 124.4117 59.9332 29.5583 178.2438 74 E 4.1399 8.2108 116.2301 58.7845 29.7959 177.8395 75 D 4.7029 8.1899 117.7984 54.7854 41.1884 177.5612 76 Y 4.1684 8.1336 121.6529 60.6665 38.8208 177.7012 77 A 3.9962 8.1894 121.3102 55.2382 18.0798 179.7319 78 G 3.5408 8.0345 103.7205 47.5497 0.0000 175.3476 79 L 3.9713 7.9878 122.6958 58.3881 42.1263 179.0980 80 N 4.3643 7.9767 116.0256 55.8275 38.1210 177.0792 81 Q 3.9682 7.8062 120.7617 59.2970 29.4956 178.6362 82 V 3.8435 7.5185 118.1579 65.6064 31.7123 177.5107 83 W 4.2118 8.3810 128.3277 60.9256 30.3196 177.5241 84 D 4.7331 8.7933 116.8643 56.2764 40.3607 177.5289 85 Q 4.4805 7.7563 116.4610 55.4518 29.2702 175.9494 86 W 4.0191 7.8955 130.7695 58.8843 31.2705 176.5224 87 F 4.5172 7.6014 115.0403 55.0919 40.0725 173.8748 88 P 4.3048 0.0000 0.0000 62.2261 31.8094 175.6322 89 E 4.0850 8.5779 121.7399 58.0014 29.7496 177.4022 90 G 3.9724 9.0330 113.2462 46.0341 0.0000 173.5925 91 R 4.5294 7.9269 115.8424 55.2869 31.3275 175.6594 92 A 3.4109 7.8882 121.1113 51.5095 18.7787 176.2807 93 P 4.6754 0.0000 0.0000 61.8297 33.0549 175.8541 94 T 4.2085 8.3896 110.2370 62.0887 69.9032 173.4163 95 R 4.9474 8.2967 121.6056 54.9991 33.7949 174.1360 96 A 4.5494 8.8187 126.5268 50.6389 22.3716 174.3154 97 C 5.7886 8.9833 122.9062 57.0722 34.1332 172.9677 98 S 4.6850 8.2720 118.8674 56.8766 66.9478 172.2466 99 L 4.9527 8.3468 119.3659 54.2360 42.4139 176.5477 100 A 4.6820 8.7833 123.4368 50.5007 23.2490 174.9668 101 E 4.1307 8.7422 121.4997 55.6052 30.3373 176.4857 102 L 4.7554 8.1813 125.8650 53.1438 43.8357 176.7826 103 I 3.7597 8.6998 120.9799 64.0072 37.4371 176.3499 104 D 4.2905 6.8070 120.2166 51.3230 41.7544 175.0644 105 P 4.3628 0.0000 0.0000 64.9906 31.4590 177.3572 106 R 4.1658 8.1851 117.7409 57.3510 30.4389 176.7597 107 W 4.8078 7.6690 119.0036 56.8055 29.6285 176.3347 108 R 4.6318 9.7268 122.1082 57.1492 31.0479 176.4236 109 V 4.8204 7.3807 115.7980 61.0247 34.0150 172.3314 110 E 5.1068 8.6356 122.2683 53.9604 33.8963 173.1978 *112 I 4.1404 8.1630 118.8396 61.3953 38.8279 175.0310 113 V 4.8601 7.9601 124.9722 60.9653 34.4487 174.2962 114 V 4.7824 8.7592 126.6611 61.1124 34.3592 174.1660 115 A 5.2486 8.9854 128.0919 50.4738 23.2718 174.0878 116 A 5.1093 8.8759 120.6749 50.3068 21.8199 177.1754 117 R 4.1987 8.5663 119.1517 56.4546 30.0078 175.4397 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 4 H 8.44 4.68 0.00 3.13 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.02 4.32 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.91 0.00 0.00 6 E 9.61 4.71 0.00 2.03 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 2.15 2.32 0.00 7 R 8.21 4.78 0.00 1.69 1.79 0.00 3.14 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 8 F 8.89 4.74 0.00 2.96 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 9 E 8.77 4.85 0.00 1.93 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 0.00 2.22 2.25 0.00 10 V 8.17 4.40 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 0.82 0.00 0.00 0.97 0.00 0.00 11 V 8.44 4.35 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 0.90 0.00 0.00 0.94 0.00 0.00 12 K 8.58 4.69 0.00 1.77 1.70 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 R 8.40 4.75 0.00 1.76 1.80 0.00 3.16 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 14 R 8.29 4.44 0.00 1.72 1.76 0.00 3.24 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 15 A 8.61 4.30 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 4.02 0.00 2.02 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 2.38 2.25 0.00 *18 A 7.73 4.33 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 19 L 8.54 5.06 0.00 1.69 1.65 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.18 4.85 0.00 3.19 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.54 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 0.00 0.00 0.00 22 N 9.04 4.85 0.00 2.74 2.89 0.00 0.00 6.66 7.05 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 23 T 7.93 4.90 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 0.78 0.00 0.00 24 V 8.79 4.67 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 1.05 0.00 0.00 0.92 0.00 0.00 25 Y 9.10 4.88 0.00 2.96 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 26 I 8.56 4.68 1.90 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 1.19 0.97 0.99 0.00 0.00 27 G 8.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.53 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.52 4.50 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.25 0.00 30 V 7.62 4.42 0.70 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 -0.37 0.00 0.00 0.12 0.00 0.00 31 A 7.98 4.11 1.24 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 0.00 0.00 32 D 8.83 4.39 0.00 2.69 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 33 D 8.80 4.79 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 34 P 0.00 4.74 0.00 2.46 2.51 0.00 3.90 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 35 S 8.27 4.28 0.00 4.05 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 36 G 7.58 3.92 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 0.00 0.00 0.00 37 D 8.31 4.68 0.00 2.98 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 38 I 8.29 3.65 2.07 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 1.87 1.35 0.96 0.00 0.00 39 Q 8.10 3.98 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 40 D 8.70 4.32 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.30 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 42 T 8.26 3.79 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 1.16 0.00 0.00 43 R 7.91 3.48 0.00 1.99 1.96 0.00 3.17 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 44 Q 8.11 3.96 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 45 I 7.67 3.60 1.88 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 1.34 0.68 0.85 0.00 0.00 46 L 7.71 3.80 0.00 0.46 0.45 -0.27 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.48 4.15 0.00 2.20 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 2.55 2.66 0.00 48 N 8.38 4.37 0.00 2.85 2.85 0.00 0.00 7.04 7.06 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 49 I 8.14 3.71 2.04 0.00 0.00 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 1.55 0.69 0.99 0.00 0.00 50 D 8.34 4.44 0.00 3.01 2.78 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 0.00 0.00 0.00 51 R 8.01 3.88 0.00 1.91 2.11 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 52 L 8.18 3.99 0.00 1.86 1.72 0.93 0.93 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 53 L 8.35 3.93 0.00 1.73 1.71 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.73 4.30 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 55 S 8.02 4.31 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.03 4.20 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 0.72 0.00 0.00 1.03 0.00 0.00 57 G 8.20 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 0.00 0.00 0.00 58 S 7.80 4.75 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 59 D 8.15 4.48 0.00 2.89 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 60 R 8.77 3.92 0.00 1.74 2.00 0.00 2.87 0.00 0.00 2.63 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 61 G 8.47 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 0.00 0.00 0.00 62 Q 8.28 4.58 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 63 V 7.70 4.23 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 0.91 0.00 0.00 1.13 0.00 0.00 64 L 8.96 4.65 0.00 1.69 1.63 0.87 0.74 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 65 S 7.70 5.26 0.00 3.84 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 66 V 8.75 4.81 2.28 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 1.07 0.00 0.00 1.19 0.00 0.00 67 R 8.88 4.75 0.00 1.83 1.81 0.00 3.48 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 68 I 8.79 4.52 1.69 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.28 0.79 0.00 0.00 69 L 9.03 4.79 0.00 1.53 1.59 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.67 4.83 0.00 1.76 1.62 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.79 4.36 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 72 H 7.90 4.82 0.00 3.17 3.34 0.00 5.65 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 73 R 9.01 3.88 0.00 1.85 1.96 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 74 E 8.21 4.14 0.00 1.98 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 2.33 2.48 0.00 75 D 8.19 4.70 0.00 2.97 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 76 Y 8.13 4.17 0.00 3.09 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 77 A 8.19 4.00 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 78 G 8.03 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.99 3.97 0.00 1.75 1.78 0.88 0.45 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 80 N 7.98 4.36 0.00 2.69 2.93 0.00 0.00 6.72 7.60 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 81 Q 7.81 3.97 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 82 V 7.52 3.84 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 0.85 0.00 0.00 1.05 0.00 0.00 83 W 8.38 4.21 0.00 3.53 3.13 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 84 D 8.79 4.73 0.00 2.83 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 85 Q 7.76 4.48 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 86 W 7.90 4.02 0.00 3.21 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 87 F 7.60 4.52 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.30 0.00 2.17 1.94 0.00 3.76 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 2.11 2.00 0.00 89 E 8.58 4.08 0.00 1.91 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 0.00 2.30 2.32 0.00 90 G 9.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.93 4.53 0.00 1.93 1.90 0.00 3.18 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 92 A 7.89 3.41 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 93 P 0.00 4.68 0.00 2.06 1.94 0.00 2.65 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.57 0.00 94 T 8.39 4.21 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 95 R 8.30 4.95 0.00 1.85 1.75 0.00 2.21 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.00 96 A 8.82 4.55 1.18 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 97 C 8.98 5.79 0.00 2.81 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 98 S 8.27 4.69 0.00 3.83 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.35 4.95 0.00 1.51 1.60 0.87 0.73 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 0.00 100 A 8.78 4.68 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 0.00 101 E 8.74 4.13 0.00 1.94 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 2.28 2.32 0.00 102 L 8.18 4.76 0.00 1.88 1.97 1.13 0.98 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 0.00 103 I 8.70 3.76 2.13 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 0.87 0.88 0.00 0.00 104 D 6.81 4.29 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 105 P 0.00 4.36 0.00 2.16 2.11 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 106 R 8.19 4.17 0.00 1.78 2.03 0.00 3.13 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 107 W 7.67 4.81 0.00 3.55 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.73 4.63 0.00 1.86 2.02 0.00 3.17 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 109 V 7.38 4.82 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 0.55 0.00 0.00 0.94 0.00 0.00 110 E 8.64 5.11 0.00 1.90 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 2.11 2.14 0.00 *112 I 8.16 4.14 1.88 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 1.22 0.45 0.94 0.00 0.00 113 V 7.96 4.86 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 0.98 0.00 0.00 1.01 0.00 0.00 114 V 8.76 4.78 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 115 A 8.99 5.25 1.23 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 0.00 0.00 0.00 116 A 8.88 5.11 1.17 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 0.00 0.00 0.00 117 R 8.57 4.20 0.00 1.77 1.75 0.00 3.29 0.00 0.00 3.48 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.