NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4460 0.0000 0.0000 62.5846 33.5849 174.6503 2 L 4.8054 8.4626 122.6327 53.1135 43.9730 173.8985 3 L 4.9188 8.6370 127.5209 53.6084 44.3964 175.4911 4 S 5.1875 8.3605 114.8048 57.5334 66.0088 173.4201 5 A 4.8636 9.1279 123.1634 50.6333 22.4967 175.3605 6 S 5.0064 8.5725 115.5308 56.5674 66.7243 172.8565 7 I 4.6522 8.3177 113.4589 59.4239 41.2845 175.8349 8 V 4.5272 7.8873 113.0445 60.6088 32.8102 175.2480 9 S 4.8782 7.5474 111.6685 57.9421 64.8629 174.4570 10 A 4.8267 8.5977 124.4177 49.5534 22.3427 174.4829 11 P 4.4160 0.0000 0.0000 62.4882 32.2497 176.7452 12 V 3.7080 8.3328 123.4144 62.8731 32.1025 175.6595 13 V 4.5068 7.7196 118.7244 59.8876 35.3645 174.5966 14 T 4.4044 7.8974 117.1731 61.8115 71.4024 173.5096 15 S 4.6211 8.4469 118.9468 57.2072 65.8115 175.2894 16 E 4.0021 8.8320 127.3518 58.4041 29.6497 176.7705 17 T 4.5716 7.0413 107.7611 59.2085 71.6791 174.0370 18 Y 4.5583 8.4236 120.3431 59.0902 38.4092 176.3065 19 V 4.7284 9.1039 116.9085 59.1699 35.8903 174.9603 20 D 4.8121 8.8227 123.1744 54.7916 41.7768 176.2674 21 I 3.9906 8.5170 124.6139 59.2613 37.9363 173.9005 22 P 4.3488 0.0000 0.0000 64.2183 31.4595 176.7935 23 G 3.9502 9.0066 110.5740 45.0949 0.0000 173.8531 24 L 4.5189 7.4912 121.2696 53.1779 40.5525 173.6746 25 Y 5.1128 7.8797 120.8154 55.8501 42.5427 173.3703 26 L 4.5699 8.7070 126.8251 53.0083 44.9446 175.6752 27 D 5.0214 8.6653 123.9660 53.0260 40.2906 176.4928 28 V 3.6032 7.9727 124.9574 65.2696 31.9617 177.0295 29 A 4.0158 8.1596 120.6309 55.1995 18.0772 179.6287 30 K 3.9545 8.3753 116.5416 59.4049 32.3340 178.6254 31 A 4.1146 7.8981 119.9092 52.4870 18.7726 177.1247 32 G 3.7496 7.8338 104.8967 46.5135 0.0000 174.7492 33 I 3.5905 7.2077 119.2894 60.6122 37.6196 177.2467 34 R 3.9827 8.0451 124.5828 56.1151 30.6182 176.2735 35 D 4.8705 8.7296 119.5452 54.2913 42.5566 176.0782 36 G 4.2754 7.1792 110.1680 45.5781 0.0000 172.4607 37 K 5.0532 8.2765 123.7824 54.4447 36.9691 175.1416 38 L 5.1271 8.7584 122.1235 53.0262 45.1958 175.4549 39 Q 4.5881 8.9972 126.2488 55.3591 30.2794 174.3268 40 V 4.9244 9.0290 127.5084 61.1886 34.2792 174.2558 41 I 4.8937 8.8336 128.4808 59.4473 40.2350 174.0403 42 L 4.9310 8.9625 130.2662 53.5251 43.7976 174.5185 43 N 5.1310 9.2513 125.7806 52.0231 41.8418 173.0921 44 V 4.6244 8.9154 127.6955 60.4122 31.6501 173.9141 45 P 4.4884 0.0000 0.0000 64.5043 32.2851 177.2678 46 T 5.1204 7.5148 115.8237 62.3821 68.7739 172.1725 47 P 5.2413 0.0000 0.0000 63.0102 33.6505 174.8171 48 Y 5.5658 8.6497 117.0748 55.8094 41.3160 173.9739 49 A 5.2630 9.2631 121.7126 50.3922 22.1327 175.7147 50 T 4.6799 8.8841 110.7502 59.5135 71.9693 173.8844 51 G 4.3724 7.7172 109.7419 46.5650 0.0000 172.1598 52 N 5.1050 8.6997 115.0536 52.2488 38.1720 174.9250 53 N 4.7540 7.6039 116.6485 53.5884 39.5207 173.2326 54 F 4.0562 8.2789 120.3845 56.3603 36.9744 173.4394 55 P 4.5365 0.0000 0.0000 62.4556 33.7088 176.2262 56 G 3.6583 7.7689 107.3115 46.3324 0.0000 171.9101 57 I 4.5048 6.0697 119.1982 59.4397 41.3492 174.6674 58 Y 4.7983 8.4462 124.5051 57.1514 39.6803 174.6415 59 F 5.5994 9.4911 121.7007 55.8057 42.9512 174.1179 60 A 5.2387 9.2067 122.4963 50.4100 23.0359 174.8187 61 I 4.8211 8.5073 120.5871 59.8002 39.3132 174.9557 62 A 5.2039 9.0712 128.3770 50.4257 22.9420 175.1578 63 T 4.9615 8.6297 111.0128 58.6369 71.7398 174.8356 64 N 4.0128 7.4890 117.6884 55.3614 36.9999 175.5747 65 Q 4.1135 7.8371 116.3829 55.3014 29.3752 174.0868 66 G 3.7807 7.4458 104.2871 43.1597 0.0000 173.2113 67 V 3.9692 8.1485 119.6406 63.0681 31.7606 175.9392 68 V 4.3328 8.3769 119.8544 62.0610 33.2495 175.8928 69 A 4.7649 7.7100 120.0209 51.1642 22.2733 174.7859 70 D 5.1558 8.4370 119.1413 52.9081 43.1526 173.9285 71 G 4.5492 9.1815 104.9030 46.9162 0.0000 171.6970 72 C 5.5942 9.2642 113.3722 57.4992 32.6504 173.1177 73 F 5.3038 8.4367 114.3650 55.4284 40.4267 174.4355 74 T 4.8833 8.2659 109.3896 60.1282 71.8124 173.0760 75 Y 4.6174 8.7591 121.2508 58.1948 38.9026 175.8275 76 S 4.8951 8.9332 115.4145 58.5046 63.2699 174.3740 77 S 4.9220 7.7559 116.4167 56.2362 66.4907 174.9837 78 K 2.0000 8.2120 124.2081 58.3441 31.9352 176.5766 79 V 4.2718 6.9684 119.5230 59.4304 31.8295 172.3203 80 P 4.1904 0.0000 0.0000 62.1442 31.9241 176.3466 81 E 4.0056 8.8222 123.1250 58.7528 29.7236 177.0556 82 S 4.4653 7.4297 110.1373 56.3527 65.5241 173.5898 83 T 3.6628 8.1735 116.7332 60.1173 67.7873 174.8223 84 G 3.8159 8.0504 116.2631 45.1149 0.0000 171.6675 85 R 4.9672 7.9228 118.3993 53.9594 31.6081 174.2222 *87 P 4.3881 0.0000 0.0000 62.7317 32.4931 176.0642 88 F 4.7856 8.9047 123.8141 56.7830 42.6557 173.4783 89 T 5.0005 7.6250 121.1199 61.6193 72.4482 173.0026 90 L 4.6222 8.8498 126.2957 53.3059 45.7295 175.0644 91 V 4.9891 8.4602 124.9431 61.1316 34.2148 174.2439 92 A 4.7927 9.0557 128.0438 50.8140 23.1665 174.6321 93 T 5.1206 8.5104 116.4330 61.6756 71.0704 173.6541 94 I 4.6383 8.7145 119.3640 59.0105 41.3281 174.2092 95 D 5.1363 8.5196 122.1952 53.5761 42.3726 176.1342 96 V 4.3186 9.0838 122.0429 62.3559 34.1201 176.3201 97 G 4.3288 9.7810 114.6831 46.3330 0.0000 173.5952 98 S 4.6495 7.7721 113.5998 58.5154 63.3914 174.8672 99 G 3.9866 8.5216 108.7023 46.3035 0.0000 175.0192 100 V 3.8050 7.6624 120.4733 63.0602 32.1359 175.1786 101 T 4.6883 9.1126 117.3478 62.1067 71.3825 173.7431 102 F 5.2427 7.3943 115.3229 55.5948 41.6541 173.2290 103 V 4.9740 8.5088 119.1418 61.1535 34.8153 174.3593 104 K 5.0551 9.4531 125.2617 55.4700 36.6928 174.9547 105 G 4.3447 8.8428 108.7299 45.3600 0.0000 172.8681 106 Q 5.4561 9.0699 121.8501 53.9604 33.7595 173.9540 107 W 6.0441 9.5753 116.7852 55.6518 32.0475 173.6700 108 K 4.7009 8.8733 118.9882 55.4980 35.8019 175.3766 109 S 4.2877 8.6053 118.2181 58.4435 63.8842 174.0602 110 V 3.9494 8.0979 123.6748 62.0416 32.5769 176.3812 111 R 3.6620 9.5726 128.3640 57.4917 27.5484 176.9973 112 G 3.8699 8.2184 101.1936 45.9167 0.0000 174.1014 113 S 4.3118 7.7205 115.4185 58.2212 63.6036 174.8859 114 A 4.4781 8.1920 125.6750 50.9510 21.3690 175.1838 *116 H 4.7516 8.5682 111.6869 56.0346 30.5718 172.8411 117 I 5.0726 8.6812 123.7181 59.1876 40.3684 175.6396 118 D 5.0935 8.7487 125.7131 52.4473 40.1817 174.5595 119 S 4.6967 8.0133 113.2177 58.1044 65.7483 173.0206 120 Y 4.3398 8.8093 120.1583 58.9288 38.5958 175.6367 121 A 5.0241 8.5114 126.5690 50.9956 23.3607 174.7895 122 S 4.9185 9.0127 113.1914 57.0822 67.2718 172.7730 123 L 5.2865 9.1048 123.1079 53.4278 44.7709 175.4059 124 S 5.2876 9.1567 119.5334 57.0380 67.2732 172.6628 125 A 5.2376 9.1048 121.5352 50.7555 22.9583 175.1373 126 I 4.8901 8.6039 122.0141 59.1974 40.1915 174.9951 127 W 4.8616 8.8615 135.0000 57.3292 31.8014 175.1668 128 G 3.3639 7.4743 111.6663 44.9931 0.0000 172.4046 129 T 4.2484 7.4777 109.9769 60.6156 69.7816 174.6616 130 A 4.0126 8.4495 124.9918 51.6915 19.2431 177.6927 131 A 4.1216 8.3098 121.4034 52.4686 18.3069 177.8796 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 P 0.00 4.45 0.00 2.12 2.19 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 2 L 8.46 4.81 0.00 1.73 1.60 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.64 4.92 0.00 1.65 1.56 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.36 5.19 0.00 3.85 3.81 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 5 A 9.13 4.86 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 6 S 8.57 5.01 0.00 3.05 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 7 I 8.32 4.65 1.94 0.00 0.00 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 1.06 0.78 0.89 0.00 0.00 8 V 7.89 4.53 2.14 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 0.81 0.00 0.00 0.95 0.00 0.00 9 S 7.55 4.88 0.00 3.85 3.69 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 10 A 8.60 4.83 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 11 P 0.00 4.42 0.00 2.02 2.04 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 12 V 8.33 3.71 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 0.49 0.00 0.00 0.85 0.00 0.00 13 V 7.72 4.51 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.82 0.00 0.00 14 T 7.90 4.40 4.14 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 1.18 0.00 0.00 15 S 8.45 4.62 0.00 3.72 3.52 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 16 E 8.83 4.00 0.00 1.93 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 0.00 2.25 2.23 0.00 17 T 7.04 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 18 Y 8.42 4.56 0.00 2.97 3.08 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 19 V 9.10 4.73 2.21 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 0.78 0.00 0.00 1.18 0.00 0.00 20 D 8.82 4.81 0.00 2.58 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 21 I 8.52 3.99 1.60 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.43 0.00 0.00 22 P 0.00 4.35 0.00 2.14 2.04 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 23 G 9.01 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 0.00 0.00 0.00 24 L 7.49 4.52 0.00 1.68 1.58 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.88 5.11 0.00 2.81 2.71 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 0.00 0.00 0.00 26 L 8.71 4.57 0.00 1.45 1.48 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.67 5.02 0.00 2.93 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 28 V 7.97 3.60 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 1.00 0.00 0.00 0.91 0.00 0.00 29 A 8.16 4.02 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 30 K 8.38 3.95 0.00 2.00 1.89 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 31 A 7.90 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 3.75 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 0.00 0.00 0.00 33 I 7.21 3.59 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.96 0.00 0.00 34 R 8.05 3.98 0.00 1.07 1.80 0.00 2.98 0.00 0.00 2.70 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 35 D 8.73 4.87 0.00 2.84 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 36 G 7.18 4.28 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 0.00 37 K 8.28 5.05 0.00 1.46 1.52 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.39 7.81 38 L 8.76 5.13 0.00 1.55 1.55 0.96 1.28 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 39 Q 9.00 4.59 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 40 V 9.03 4.92 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 0.96 0.00 0.00 0.97 0.00 0.00 41 I 8.83 4.89 1.87 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 1.10 0.61 0.89 0.00 0.00 42 L 8.96 4.93 0.00 1.78 1.60 0.97 0.41 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 43 N 9.25 5.13 0.00 2.75 2.65 0.00 0.00 6.15 8.18 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 44 V 8.92 4.62 1.70 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 1.03 0.00 0.00 0.69 0.00 0.00 45 P 0.00 4.49 0.00 2.30 2.32 0.00 3.88 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 46 T 7.51 5.12 4.35 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 1.29 0.00 0.00 47 P 0.00 5.24 0.00 2.67 2.62 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 48 Y 8.65 5.57 0.00 3.20 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 49 A 9.26 5.26 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 50 T 8.88 4.68 4.32 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 1.38 0.00 0.00 51 G 7.72 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.70 5.11 0.00 2.72 2.82 0.00 0.00 5.62 8.04 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 53 N 7.60 4.75 0.00 2.64 2.75 0.00 0.00 7.22 7.02 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 54 F 8.28 4.06 0.00 3.20 3.07 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 55 P 0.00 4.54 0.00 2.49 2.09 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 56 G 7.77 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 6.07 4.50 1.25 0.00 0.00 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 0.81 0.54 0.09 0.00 0.00 58 Y 8.45 4.80 0.00 2.85 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 59 F 9.49 5.60 0.00 2.48 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 60 A 9.21 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.51 4.82 1.89 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 1.19 0.84 0.91 0.00 0.00 62 A 9.07 5.20 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.63 4.96 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 1.12 0.00 0.00 64 N 7.49 4.01 0.00 2.63 2.05 0.00 0.00 5.92 7.39 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 65 Q 7.84 4.11 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 66 G 7.45 3.78 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 0.00 0.00 0.00 67 V 8.15 3.97 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 0.78 0.00 0.00 0.75 0.00 0.00 68 V 8.38 4.33 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 0.67 0.00 0.00 0.95 0.00 0.00 69 A 7.71 4.76 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 70 D 8.44 5.16 0.00 3.04 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.18 4.55 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 0.00 0.00 0.00 72 C 9.26 5.59 0.00 2.49 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.44 5.30 0.00 3.16 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.27 4.88 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 0.98 0.00 0.00 75 Y 8.76 4.62 0.00 3.04 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 76 S 8.93 4.90 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.76 4.92 0.00 3.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.21 2.00 0.00 0.94 1.40 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 0.86 7.81 79 V 6.97 4.27 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 0.82 0.00 0.00 0.81 0.00 0.00 80 P 0.00 4.19 0.00 1.74 1.62 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.87 0.00 81 E 8.82 4.01 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 82 S 7.43 4.47 0.00 3.72 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 83 T 8.17 3.66 4.47 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 1.14 0.00 0.00 84 G 8.05 3.82 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 0.00 0.00 0.00 85 R 7.92 4.97 0.00 1.83 1.96 0.00 3.84 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 *87 P 0.00 4.39 0.00 2.05 2.06 0.00 3.63 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.15 0.00 88 F 8.90 4.79 0.00 3.20 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 89 T 7.63 5.00 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 1.11 0.00 0.00 90 L 8.85 4.62 0.00 1.80 1.56 1.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.46 4.99 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 0.89 0.00 0.00 0.88 0.00 0.00 92 A 9.06 4.79 1.20 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 0.00 0.00 0.00 93 T 8.51 5.12 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 1.21 0.00 0.00 94 I 8.71 4.64 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.88 0.00 0.00 95 D 8.52 5.14 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.32 2.26 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 1.07 0.00 0.00 1.02 0.00 0.00 97 G 9.78 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 98 S 7.77 4.65 0.00 3.93 3.90 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 99 G 8.52 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.66 3.81 2.15 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 0.78 0.00 0.00 0.89 0.00 0.00 101 T 9.11 4.69 4.32 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 1.20 0.00 0.00 102 F 7.39 5.24 0.00 2.48 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 0.00 103 V 8.51 4.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.89 0.00 0.00 104 K 9.45 5.06 0.00 1.97 1.93 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.51 7.81 105 G 8.84 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 0.00 0.00 0.00 0.00 106 Q 9.07 5.46 0.00 1.87 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 107 W 9.58 6.04 0.00 3.02 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 0.00 108 K 8.87 4.70 0.00 1.65 1.56 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.50 1.12 7.81 109 S 8.61 4.29 0.00 3.69 3.78 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 0.00 110 V 8.10 3.95 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 0.81 0.00 0.00 0.09 0.00 0.00 111 R 9.57 3.66 0.00 1.97 1.98 0.00 3.50 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 112 G 8.22 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 0.00 113 S 7.72 4.31 0.00 3.82 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 0.00 114 A 8.19 4.48 1.16 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 0.00 0.00 *116 H 8.57 4.75 0.00 2.22 2.76 0.00 5.56 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.68 5.07 1.96 0.00 0.00 0.49 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 1.49 0.97 0.00 0.00 118 D 8.75 5.09 0.00 2.82 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 0.00 119 S 8.01 4.70 0.00 3.95 3.96 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 0.00 120 Y 8.81 4.34 0.00 2.99 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 0.00 121 A 8.51 5.02 1.13 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 0.00 122 S 9.01 4.92 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 0.00 123 L 9.10 5.29 0.00 1.68 1.49 0.99 0.79 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 0.00 124 S 9.16 5.29 0.00 3.99 3.90 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 0.00 125 A 9.10 5.24 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 0.00 126 I 8.60 4.89 1.89 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 1.15 0.74 0.96 0.00 0.00 127 W 8.86 4.86 0.00 3.33 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 0.00 128 G 7.47 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.25 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 130 A 8.45 4.01 1.20 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 0.00 0.00 0.00 131 A 8.31 4.12 1.21 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 * Residues marked with a * may have inaccurate shift predictions.