NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4539 8.1776 115.4110 58.4850 63.7576 174.9799 -1 N 4.3717 8.6239 115.1389 53.6943 37.4040 175.4041 0 A 3.9129 8.2904 125.8281 55.5412 18.7421 180.5511 1 A 3.9771 7.8354 117.2548 54.9322 18.6101 179.0225 2 L 4.0725 7.1812 116.1008 58.4823 42.3961 179.2180 3 K 4.2499 8.4565 118.6896 58.9256 31.8315 179.1983 4 L 4.2992 7.5979 117.6104 55.9314 41.6571 178.4124 4 Q 4.2992 7.7579 115.6104 56.5314 28.6571 176.8124 7 Y 3.9549 8.4589 118.5230 60.7732 38.6939 178.2377 8 I 3.7904 8.1318 120.2577 64.3057 37.3667 178.1180 9 G 3.7236 8.1406 105.9874 48.0315 0.0000 174.5894 10 D 4.2292 7.9892 118.8664 56.9259 41.3898 177.7603 11 A 3.9054 7.8788 121.3341 55.1796 18.4053 179.6721 12 I 3.6298 8.0486 118.7354 64.2512 36.9856 178.0594 13 G 4.0085 7.5896 102.8653 45.3899 0.0000 173.2358 14 T 4.3970 7.2151 113.6340 64.7936 70.8703 174.5113 15 I 3.7463 7.8604 121.8819 61.7155 37.5510 176.6440 16 R 4.0421 8.7045 125.1634 59.1447 30.6955 176.9996 17 D 4.7171 7.8195 116.9125 52.6969 43.2565 174.8470 18 P 4.4346 0.0000 0.0000 66.1404 31.1767 179.0376 19 Q 4.2455 8.5251 116.9445 58.7551 28.7015 178.4480 20 E 4.2298 8.3712 117.2131 58.3033 29.9360 178.5648 21 L 3.7740 7.6594 121.4588 58.3487 42.1909 179.0555 22 F 3.9101 8.1805 117.2626 59.7404 38.5567 178.1873 23 R 4.2551 7.7358 117.8131 59.7383 30.0979 178.9640 24 T 3.9553 7.7918 115.0125 66.6472 68.4138 176.8955 25 V 3.7072 8.0099 120.0537 66.4198 31.4139 177.9985 26 T 4.1493 7.9264 114.1051 66.9889 68.7849 175.6056 27 D 4.6031 8.5869 119.8856 57.4793 41.1934 178.5373 28 K 4.0021 8.1631 118.5607 59.2347 32.0616 179.0962 29 L 4.2923 8.4373 119.4563 58.0165 41.4138 179.1655 30 R 4.4470 7.6434 116.6754 57.0457 30.0956 177.9955 31 L 4.1243 8.1483 119.4380 56.5186 41.8486 177.4952 32 L 4.1307 7.6333 116.5901 54.6329 42.6763 176.5016 33 F 4.8651 8.0534 116.2747 55.3316 42.3170 173.4974 34 A 4.6683 8.1112 126.8163 50.4117 20.5941 176.3015 35 F 4.7218 7.4231 114.6647 56.4627 39.8759 173.3849 36 D 4.6990 9.0383 122.1344 56.2037 41.9562 177.4769 37 S 5.0888 8.9136 113.1129 56.8063 67.3985 173.3805 38 A 5.4953 8.9636 124.2749 50.5100 22.0859 175.6586 39 V 4.7733 8.8609 112.8290 59.8894 36.8696 174.2610 40 I 4.8863 9.1046 125.0339 59.8533 39.2782 174.7070 41 I 5.1610 8.7930 128.1086 59.6604 40.3311 174.7465 42 T 4.9665 8.9559 116.3323 60.1325 71.5343 173.1367 43 I 4.7613 8.3747 124.5996 59.7944 39.6708 175.1630 44 D 4.6565 8.8666 127.0620 52.3762 41.5780 176.5327 45 R 3.8923 8.5944 125.8645 59.2520 30.5679 177.8659 46 E 4.1200 8.1308 115.7806 59.4637 29.5699 178.3019 47 R 3.9938 8.2793 115.4814 56.6048 30.9868 176.2894 48 R 3.8277 7.9491 116.8968 57.2426 27.8150 174.8508 49 E 5.2740 7.5348 115.3989 54.6762 35.1303 176.0591 50 A 5.1887 9.0043 122.6008 50.3788 22.7433 175.2829 51 S 5.3281 8.9876 117.1782 56.5221 66.7197 173.8133 52 V 3.9815 8.7724 124.9516 63.2025 30.9178 175.3234 53 F 4.4751 9.2418 131.9220 60.2506 40.4273 175.6217 54 F 4.7009 7.8126 117.2908 57.7051 42.4524 173.3085 55 E 4.0675 7.0435 121.0967 54.9781 32.0089 174.1454 *57 L 3.8440 8.2278 116.7941 55.3764 42.5033 176.8999 58 R 4.3965 8.3707 119.5069 55.8721 31.2655 175.8857 59 F 4.9489 7.1726 112.2745 54.8113 40.4323 174.3456 60 E 4.6091 8.6474 119.3875 54.4057 31.9319 176.1289 61 L 4.5593 8.2200 124.6207 53.8771 42.2821 174.6083 62 P 4.5514 0.0000 0.0000 62.1191 32.3998 177.5494 63 E 3.9957 8.7277 119.8659 59.5187 29.7812 178.7181 64 Q 4.1484 8.1991 116.3846 58.7776 28.8285 177.1883 65 L 4.6282 7.4770 114.7292 54.8269 41.5615 176.9339 66 R 4.6223 8.1091 116.7134 56.2211 30.3728 175.8938 67 H 4.5016 8.0132 115.3300 55.4475 29.6195 175.4639 68 Q 4.2155 8.8378 124.7843 58.8336 30.1602 175.9440 69 T 5.8574 8.0920 113.9105 60.5968 71.9737 173.7222 70 R 4.7303 8.3017 120.4529 54.4271 33.3252 174.4737 71 S 4.6305 8.6763 114.8749 58.5733 63.2032 173.7120 72 I 4.3287 8.4832 117.5005 60.0354 37.9731 174.6807 73 A 4.3744 6.9229 122.9685 53.5467 18.0862 178.4847 74 G 3.8815 9.2040 111.2953 46.3492 0.0000 173.2721 75 T 4.5104 7.6139 110.5512 59.4318 70.8771 175.6756 76 W 4.3403 8.9341 119.7894 60.0953 27.6598 178.1056 77 L 3.4068 5.8702 119.4751 57.3758 41.2225 178.4686 78 E 4.0454 7.9176 119.0648 58.5891 29.2914 178.2462 79 G 3.9096 7.7530 103.3010 46.1196 0.0000 174.2060 80 H 5.0408 8.1150 119.5527 54.6941 28.9477 176.3593 81 L 4.2291 7.5534 120.5743 57.0366 41.5700 177.5804 82 D 4.9177 7.8579 116.4771 53.7660 41.6888 175.7703 83 D 4.5410 8.3456 121.0363 54.7080 41.2924 177.4684 84 R 4.2706 8.6030 121.8975 57.0162 31.1678 176.2414 85 T 4.6322 7.4247 105.6833 58.9416 71.5878 173.5045 86 V 3.9782 8.1009 121.4774 63.3108 32.5272 175.0300 87 T 4.5443 8.9253 123.4878 61.6886 71.2950 173.0706 88 V 4.3839 8.4330 126.2811 60.9716 33.4715 174.4316 89 A 4.9203 8.5798 129.5380 49.7812 22.7294 174.7714 90 S 4.4566 9.7446 117.7734 58.2680 62.8668 174.8258 91 I 3.2655 8.4024 129.1504 64.3523 36.9275 177.3217 92 A 2.8376 7.3121 119.7636 52.6722 18.9945 177.8585 93 R 4.3886 7.5375 113.4734 57.2475 32.1233 176.8549 94 D 4.4641 8.2955 115.5323 54.7563 41.4564 176.2247 95 I 4.3609 7.1887 120.4598 58.6110 38.2437 174.3157 96 P 4.3224 0.0000 0.0000 65.4842 31.4326 178.5205 97 S 4.2431 8.1725 113.4053 60.8537 63.0266 174.4158 98 F 3.9489 7.9143 122.0724 58.1828 38.9768 174.8744 99 G 4.2165 7.9059 116.1132 44.9015 0.0000 172.6858 100 A 3.4629 6.5285 121.4647 52.9684 18.5728 178.3618 101 D 4.1757 7.2475 116.1712 53.5269 39.1058 177.3785 102 G 3.9490 8.4572 111.1526 44.6698 0.0000 173.4505 103 A 4.9714 7.5593 121.7353 49.6486 19.2147 174.7772 104 P 4.2829 0.0000 0.0000 65.1569 32.0009 177.9656 105 L 4.0073 8.2012 118.3424 58.6797 41.9174 178.6799 106 L 4.0605 8.1955 117.9087 57.8355 41.5249 179.4633 107 W 3.9755 8.4411 128.1884 60.7240 30.6025 178.3182 108 T 3.9021 8.5895 116.2468 66.5177 67.6433 176.7123 109 L 3.7419 8.1685 120.5446 57.8873 41.8341 178.8144 110 H 4.0515 8.2636 118.1090 59.0129 29.6111 176.5340 111 E 3.7106 7.7381 120.1558 59.6395 29.4589 178.8996 112 L 4.2411 7.8338 117.1880 55.4318 42.3432 177.8499 113 G 3.7653 7.9038 107.6879 46.0966 0.0000 173.5596 *115 R 4.2336 8.1842 124.7549 55.4559 33.3804 175.0747 116 Q 4.8846 8.1021 118.7338 54.2075 33.1259 173.7012 117 I 5.0938 8.6228 125.3406 59.2350 41.5070 173.7650 118 V 4.7385 8.9744 129.5726 61.0487 34.0348 174.0078 119 L 4.9967 8.8964 127.8239 52.9531 44.3268 175.2856 120 S 4.9564 9.0407 119.6530 55.3251 64.4283 171.2415 121 P 4.0368 0.0000 0.0000 63.1362 31.8583 175.4602 122 L 4.6260 8.2026 122.1145 53.0481 44.0061 175.7261 123 R 5.0964 8.3919 121.8891 54.6354 33.5633 175.4523 124 S 4.3561 9.0766 115.8573 58.2304 65.5605 174.4302 125 G 4.0961 9.9934 115.3253 46.4443 0.0000 174.3472 126 G 3.9308 8.6079 107.7816 44.4081 0.0000 174.1246 127 R 4.4861 7.7173 117.1717 53.6454 31.2920 175.8260 128 V 3.8947 8.3072 121.9818 63.2069 31.8591 175.2439 129 I 4.2236 8.5327 120.3046 60.2777 39.6025 175.2681 130 G 3.8059 6.6767 108.0397 46.8350 0.0000 171.5520 131 F 5.1701 8.4546 117.3140 55.5991 43.8158 173.9509 132 L 4.7057 8.8492 125.0307 54.2200 43.4863 175.3098 133 S 5.5138 8.8436 120.1800 55.3762 66.1526 172.4349 134 F 5.7995 8.3696 123.4753 55.9437 42.6071 174.3943 135 V 5.1513 9.2008 120.9032 61.7580 35.3877 174.2281 136 S 5.2297 9.0793 121.5685 57.1514 67.1648 175.2890 137 A 4.3808 9.7349 125.7991 53.8380 18.4681 178.0545 138 E 4.5931 7.8215 113.3075 54.5612 31.8300 176.0676 139 E 4.3278 8.4362 121.1166 55.2258 28.7194 176.6227 140 K 4.2320 8.6224 123.9681 55.7851 32.7975 177.5477 141 L 4.2107 8.4451 123.9076 54.3345 42.0391 176.4774 142 W 4.5261 8.7563 123.6890 54.4314 31.0193 176.1162 143 S 4.6080 8.7043 119.3371 57.5607 64.9672 174.7478 144 D 4.5861 8.7117 121.4259 57.5351 40.4715 179.3539 145 G 3.6714 8.1201 105.8524 47.5904 0.0000 175.2774 146 D 4.5593 8.1650 121.0097 57.4735 40.8599 179.1060 147 K 4.2440 8.3921 118.6405 59.8058 32.0599 179.6226 148 S 4.2117 8.4856 115.4440 61.5929 62.7568 176.7863 149 L 4.1900 8.2946 121.8358 57.6265 41.3088 179.2571 150 L 3.7075 8.6417 120.5572 58.1370 42.1455 178.8663 151 S 4.2120 8.3797 115.4837 61.7784 62.6112 177.1592 152 G 3.6647 7.9525 106.7016 47.9188 0.0000 175.8018 153 V 3.8892 8.0657 122.2790 64.5991 31.3853 178.5886 154 S 4.1408 8.5071 116.0225 61.2684 62.6730 176.4816 155 S 4.1605 7.8820 117.7989 61.9002 62.5461 177.1530 156 S 4.1118 7.9253 117.2354 61.5793 62.6737 176.7278 157 I 3.7049 7.6922 121.7262 64.3030 36.8858 177.8003 158 A 3.8552 8.3629 121.9974 55.6465 18.1277 179.2845 159 I 3.5372 7.5276 117.2037 64.7407 37.3199 178.2346 160 A 3.9414 8.1450 120.9013 55.4058 18.3274 179.7819 161 V 3.3446 8.3991 117.1722 66.1399 31.5908 178.3967 162 S 4.0566 8.3759 114.3476 61.1185 62.7185 176.1122 163 N 4.0215 7.9376 120.0161 56.3647 38.7735 176.4722 164 A 4.0243 7.7565 121.8374 55.5219 18.4895 179.4933 165 L 4.0103 8.0645 116.9588 58.0545 41.6494 179.6818 166 A 4.0963 7.8146 120.0451 55.0327 18.5988 179.2003 167 Y 4.4828 8.0431 115.1827 60.7301 37.7891 178.3855 168 E 4.0162 8.3055 120.0806 59.4796 29.5862 178.5855 169 E 3.9439 8.1867 117.8813 59.3310 29.7100 178.7137 170 L 4.1545 8.1358 119.0694 57.6431 41.5585 179.0732 171 R 3.9380 7.8289 118.3215 59.2616 29.6833 177.7031 172 Q 4.6932 7.9429 114.6683 56.0125 29.2691 176.7832 173 R 4.3972 8.6322 121.8284 55.3390 30.9609 175.6854 174 E 4.7853 7.2212 120.4999 56.6314 30.6038 176.6135 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 S 8.18 4.45 0.00 4.01 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 -1 N 8.62 4.37 0.00 3.02 3.10 0.00 0.00 5.86 6.91 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 A 8.29 3.91 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 1 A 7.84 3.98 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 2 L 7.18 4.07 0.00 1.64 1.86 0.93 0.67 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 3 K 8.46 4.25 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.72 7.81 4 L 7.60 4.30 0.00 1.74 1.83 0.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.76 4.30 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 7 Y 8.46 3.95 0.00 3.10 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 8 I 8.13 3.79 1.92 0.00 0.00 1.00 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 0.87 0.91 0.00 0.00 9 G 8.14 3.72 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 0.00 0.00 0.00 10 D 7.99 4.23 0.00 2.69 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 11 A 7.88 3.91 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.05 3.63 1.96 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 1.29 0.88 0.83 0.00 0.00 13 G 7.59 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 0.00 0.00 0.00 14 T 7.22 4.40 4.25 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 1.17 0.00 0.00 15 I 7.86 3.75 1.87 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 1.25 0.45 1.00 0.00 0.00 16 R 8.70 4.04 0.00 1.82 2.01 0.00 3.21 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 17 D 7.82 4.72 0.00 2.75 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 18 P 0.00 4.43 0.00 2.30 2.39 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 19 Q 8.53 4.25 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 20 E 8.37 4.23 0.00 2.28 2.31 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 2.66 2.38 0.00 21 L 7.66 3.77 0.00 1.82 1.24 0.31 0.54 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 22 F 8.18 3.91 0.00 2.05 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 0.00 0.00 0.00 23 R 7.74 4.26 0.00 2.15 2.14 0.00 3.30 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.26 0.00 24 T 7.79 3.96 4.41 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 1.42 0.00 0.00 25 V 8.01 3.71 2.07 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 1.12 0.00 0.00 0.89 0.00 0.00 26 T 7.93 4.15 4.77 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 1.62 0.00 0.00 27 D 8.59 4.60 0.00 2.91 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 28 K 8.16 4.00 0.00 2.10 1.82 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.64 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.55 1.08 7.81 29 L 8.44 4.29 0.00 2.34 2.36 1.17 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.64 4.45 0.00 1.95 1.84 0.00 3.04 0.00 0.00 2.89 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.84 0.00 31 L 8.15 4.12 0.00 1.56 1.63 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.63 4.13 0.00 0.65 0.30 0.73 0.54 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 33 F 8.05 4.87 0.00 3.35 3.16 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 34 A 8.11 4.67 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 35 F 7.42 4.72 0.00 3.03 2.54 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 36 D 9.04 4.70 0.00 2.87 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 37 S 8.91 5.09 0.00 4.08 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 38 A 8.96 5.50 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 39 V 8.86 4.77 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 0.75 0.00 0.00 0.99 0.00 0.00 40 I 9.10 4.89 2.11 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.69 0.00 0.00 41 I 8.79 5.16 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.97 0.00 0.00 42 T 8.96 4.97 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 1.09 0.00 0.00 43 I 8.37 4.76 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.91 0.00 0.00 44 D 8.87 4.66 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.59 3.89 0.00 1.78 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122 L 8.20 4.63 0.00 1.43 1.40 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.39 5.10 0.00 1.58 1.72 0.00 3.15 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 124 S 9.08 4.36 0.00 3.69 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 0.00 125 G 9.99 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 0.00 126 G 8.61 3.93 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 0.00 0.00 0.00 127 R 7.72 4.49 0.00 1.91 1.99 0.00 2.74 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.46 0.00 128 V 8.31 3.89 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 0.46 0.00 0.00 0.85 0.00 0.00 129 I 8.53 4.22 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.08 0.85 0.00 0.00 130 G 6.68 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 0.00 0.00 0.00 131 F 8.45 5.17 0.00 2.81 2.79 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 0.00 132 L 8.85 4.71 0.00 1.61 1.47 0.63 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.84 5.51 0.00 3.81 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 0.00 134 F 8.37 5.80 0.00 3.01 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 0.00 135 V 9.20 5.15 2.34 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 0.97 0.00 0.00 1.07 0.00 0.00 136 S 9.08 5.23 0.00 3.94 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 0.00 137 A 9.73 4.38 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 0.00 138 E 7.82 4.59 0.00 1.96 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 2.21 2.29 0.00 139 E 8.44 4.33 0.00 1.98 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 2.28 2.31 0.00 140 K 8.62 4.23 0.00 2.34 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.77 1.90 7.81 141 L 8.45 4.21 0.00 1.60 1.63 0.91 0.91 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 0.00 142 W 8.76 4.53 0.00 3.27 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 0.00 143 S 8.70 4.61 0.00 4.14 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 0.00 144 D 8.71 4.59 0.00 2.77 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 0.00 145 G 8.12 3.67 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 0.00 0.00 0.00 146 D 8.17 4.56 0.00 3.15 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 0.00 147 K 8.39 4.24 0.00 2.19 1.96 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.97 7.81 148 S 8.49 4.21 0.00 4.08 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 0.00 149 L 8.29 4.19 0.00 2.30 2.09 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.64 3.71 0.00 1.60 1.85 0.36 0.77 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 0.00 151 S 8.38 4.21 0.00 4.14 3.94 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 0.00 152 G 7.95 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 0.00 153 V 8.07 3.89 2.37 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 0.95 0.00 0.00 1.13 0.00 0.00 154 S 8.51 4.14 0.00 4.00 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 0.00 155 S 7.88 4.16 0.00 4.18 3.93 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 0.00 156 S 7.93 4.11 0.00 4.10 3.91 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 0.00 157 I 7.69 3.70 2.00 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 1.66 0.65 0.98 0.00 0.00 158 A 8.36 3.86 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 0.00 159 I 7.53 3.54 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.17 0.87 0.00 0.00 160 A 8.15 3.94 1.31 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 0.00 0.00 0.00 161 V 8.40 3.34 1.90 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 0.36 0.00 0.00 0.57 0.00 0.00 162 S 8.38 4.06 0.00 3.98 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 0.00 163 N 7.94 4.02 0.00 2.72 2.95 0.00 0.00 6.98 8.57 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 0.00 164 A 7.76 4.02 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 0.00 0.00 0.00 0.00 0.00 165 L 8.06 4.01 0.00 1.97 1.73 0.97 0.43 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 0.00 166 A 7.81 4.10 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 0.00 167 Y 8.04 4.48 0.00 3.17 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 0.00 168 E 8.31 4.02 0.00 2.23 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 0.00 2.43 2.54 0.00 169 E 8.19 3.94 0.00 1.96 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 0.00 2.35 2.43 0.00 170 L 8.14 4.15 0.00 1.92 1.72 1.02 0.59 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 0.00 171 R 7.83 3.94 0.00 1.93 2.22 0.00 3.08 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 172 Q 7.94 4.69 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 173 R 8.63 4.40 0.00 1.94 1.94 0.00 3.71 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 174 E 7.22 4.79 0.00 2.32 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 2.08 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.