NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7624 8.0932 114.7872 57.8166 64.5263 174.0554 2 L 3.8328 7.8344 119.4882 56.9304 41.0122 179.2621 3 F 4.2877 7.8559 119.2571 60.6053 39.3132 176.8747 4 E 4.1201 8.2507 117.7253 59.4913 29.1084 179.0778 5 L 4.0364 8.1324 120.1186 58.3238 42.1708 179.2626 6 G 3.6487 8.6047 105.9861 47.6133 0.0000 175.5240 7 K 3.9707 8.2610 121.8452 59.6716 32.2112 178.9132 8 M 4.0531 8.4041 119.3896 58.4749 31.8332 178.8431 9 I 3.6054 8.0452 120.3356 64.1269 37.2068 178.3017 10 L 4.2227 8.0067 122.9041 57.6281 41.6996 179.0444 11 Q 3.5369 7.9636 117.4297 58.6653 28.8683 178.4285 12 E 4.2923 8.3247 119.9072 59.7627 29.6035 179.3212 13 T 4.1862 8.0515 109.5193 63.7967 69.0176 176.3881 *15 G 4.1902 7.6704 107.1846 44.5129 0.0000 172.2872 16 K 4.4428 7.9644 120.0481 54.2546 34.1904 175.3814 17 N 4.6892 8.4108 119.5905 53.0776 39.7758 173.9304 18 P 4.4845 0.0000 0.0000 65.6704 31.6418 178.3926 19 A 4.0196 8.1271 118.9501 55.0757 18.2164 179.1472 20 K 3.9301 7.9893 116.4106 60.1905 32.4205 178.8810 21 S 4.7156 8.0677 115.1255 59.8171 62.8047 174.6432 22 Y 4.8697 8.3186 116.8336 57.6268 40.2879 176.8432 23 G 3.9232 8.7786 109.6840 48.0294 0.0000 173.0582 24 A 4.9774 7.9181 122.7504 50.7130 21.1575 174.1164 25 Y 4.9789 9.8021 124.4756 57.8200 42.7022 175.6317 26 G 3.6595 7.6505 116.1715 46.6835 0.0000 172.6597 27 C 4.6329 9.5595 115.5324 57.6301 41.0112 174.8542 28 N 4.6212 8.8361 115.6227 53.5498 40.6307 173.9541 29 C 4.5843 8.5596 116.2576 59.9576 40.1305 170.6714 30 G 4.5202 8.6018 115.5726 44.5932 0.0000 173.1863 31 V 3.6425 8.5200 125.5681 64.1953 32.7507 176.9116 32 L 3.2579 8.6498 127.8611 55.8710 40.5236 174.2242 33 G 4.0070 8.2798 115.4556 45.7045 0.0000 171.6936 34 R 5.0327 7.6876 116.1044 53.3613 34.5050 174.7758 35 G 4.2769 9.2095 112.0068 45.7658 0.0000 175.3041 36 K 4.2393 8.6831 125.4179 52.3874 30.8685 170.8898 37 P 4.2556 0.0000 0.0000 62.0485 31.5334 176.9748 38 K 4.0276 8.6813 122.3871 58.1680 32.6763 176.2422 39 D 4.3860 7.3225 116.8302 51.2509 42.8208 175.8578 40 A 3.9310 8.3625 120.4408 55.8274 18.0750 179.4019 41 T 3.7291 7.9751 113.5061 67.1241 68.5493 175.7964 42 D 4.4268 8.9401 119.8536 57.5611 41.1462 178.3198 43 R 3.8990 8.2704 119.3291 59.5813 30.0257 177.6210 44 C 4.1936 8.5398 116.6545 60.5696 40.6164 175.7342 45 C 4.1206 8.0378 117.3958 59.6919 40.6036 175.4391 46 Y 3.8030 7.9820 121.5997 60.6377 38.4341 178.0542 47 V 3.6396 8.3028 119.2885 66.3319 31.5425 177.2778 48 H 3.9655 8.1854 117.7351 59.3905 29.6204 177.3052 49 K 3.6279 8.0001 120.1629 59.5768 31.6183 178.7127 50 C 4.1795 7.8638 115.8214 60.1025 40.1253 175.0673 51 C 4.3410 8.4701 119.6249 59.9093 41.2999 174.9734 52 Y 4.2130 8.2133 118.7504 60.8942 37.2716 178.2911 53 K 3.8688 8.1795 120.7235 58.9641 32.0782 178.4156 *57 K 4.4039 7.8184 117.6960 55.8394 33.9065 175.5808 58 L 4.1302 7.2725 120.4087 55.1638 42.4870 176.0742 59 T 4.5946 8.2157 114.2751 61.2378 71.7058 173.7599 60 G 4.0473 9.9250 111.9844 45.4848 0.0000 171.9218 61 C 4.7230 7.4959 112.3599 53.6770 42.1476 172.4635 *67 D 4.7168 8.2768 117.6179 53.4738 40.9927 174.1178 68 P 4.1161 0.0000 0.0000 65.2581 31.7693 179.1481 69 K 4.0147 8.1519 117.3456 58.3267 32.3447 178.5552 70 K 4.2570 7.5213 115.2228 56.7606 33.7383 176.4805 71 D 4.4800 8.3035 120.0674 53.8565 41.0075 176.2590 72 R 4.3581 8.4782 124.8911 56.3563 30.6736 174.4624 73 Y 5.0339 7.6920 119.6159 56.2061 41.1254 173.0767 74 S 5.1813 9.8802 116.7932 57.2502 65.4032 173.2389 75 Y 5.5735 8.2602 120.4961 56.2583 41.0883 173.2749 76 S 4.5515 9.5422 114.3483 56.5053 67.4878 172.6149 77 W 5.4889 8.8512 130.2283 55.8159 31.7409 174.7543 78 K 4.3786 8.7607 129.1079 55.7166 34.3122 175.8146 79 D 4.2770 9.2098 125.6913 56.1362 38.4533 173.2140 80 K 2.0000 7.1490 110.4578 56.9937 30.1805 175.4962 81 T 4.4977 6.7071 112.6389 61.5794 72.9086 173.8898 82 I 4.8274 8.5403 126.1545 61.0766 38.2404 175.3482 83 V 4.4006 9.2087 128.0119 61.0190 33.7562 173.9823 84 C 4.8604 8.9858 126.5951 56.7891 40.5985 174.2473 85 G 3.9277 9.0673 112.0945 45.9828 0.0000 173.8256 86 E 4.2493 9.0419 119.4908 59.2822 31.0922 180.2915 87 N 4.0180 8.4051 112.3735 53.9408 38.4551 176.5892 88 N 4.8812 8.5391 124.9827 52.0512 40.9741 173.2397 *90 P 4.2675 0.0000 0.0000 62.8573 33.5133 179.9488 91 C 4.1898 8.2400 116.9499 59.6808 41.0466 175.2619 92 L 3.8457 8.4513 120.9237 57.6838 41.1289 179.5577 93 K 3.7694 8.6412 119.7744 59.3453 32.1923 178.3803 94 E 3.8176 8.4125 119.9637 59.1371 29.4570 178.2079 95 L 3.7872 8.2301 120.6566 58.5914 42.0927 178.0403 96 C 3.4605 7.6970 119.6694 58.8762 42.7230 175.5494 97 E 3.9161 8.1794 120.1794 59.2520 29.0361 178.5335 98 C 4.2999 8.5664 117.0554 60.1769 40.2007 175.9143 99 D 4.3541 8.4978 120.6359 57.3161 40.4221 178.6662 100 K 3.7855 8.4478 120.2428 59.5088 32.0924 178.5393 101 A 3.9684 8.2992 121.4962 55.1698 18.3222 180.0483 102 V 3.4507 7.8949 117.4864 64.5769 31.4070 178.3898 103 A 3.7636 8.1150 121.7050 54.9511 18.1745 179.5234 104 I 3.8608 7.7607 119.5714 64.1747 37.0116 177.8042 105 C 4.3126 8.0138 117.7228 59.6623 41.1477 175.2670 106 L 3.9504 8.3001 120.7949 57.7609 41.0188 179.4184 107 R 3.8888 8.1118 118.7692 59.5964 29.8174 178.3995 108 E 4.1414 8.6951 117.3840 58.2664 29.7078 177.4650 109 N 5.0431 7.7149 115.7670 52.8515 39.3057 176.6063 110 L 4.1435 7.8847 122.3970 57.7411 41.7702 179.7445 111 G 3.7032 8.1269 106.1076 47.5554 0.0000 173.8168 112 T 4.4409 7.4608 112.1564 61.5683 68.1571 173.5168 113 Y 4.0897 7.8292 123.3219 58.3088 39.3383 174.0642 114 N 5.2527 9.1149 125.6721 51.4579 40.9834 174.7491 115 K 3.7596 9.1994 128.6120 59.9481 32.5088 179.8006 116 K 3.5794 7.9652 119.7433 57.6201 31.5891 181.1363 117 Y 4.2785 7.4890 114.8803 57.7071 38.2409 175.5827 118 R 4.3833 8.2034 121.8262 56.7321 30.7859 174.8372 119 Y 3.9310 7.9872 118.0229 59.1298 36.1893 170.3566 120 H 4.3186 8.2827 118.5902 56.3401 30.4196 174.6515 121 L 4.3026 8.5084 127.8719 55.0757 41.5691 177.2020 122 K 4.0372 7.8153 118.4143 55.1175 28.6790 178.5437 123 P 4.2971 0.0000 0.0000 63.7195 31.9703 178.1217 *125 F 4.4011 8.3291 123.3169 56.5501 39.5357 173.0363 126 C 4.7735 8.4709 123.0220 57.4434 37.6139 174.6903 *127 K 3.8319 8.3745 119.7583 55.7458 31.7997 175.8262 *129 K 4.4213 9.2345 120.8740 57.0995 33.6272 174.5938 130 A 4.4236 8.4414 121.2214 52.2869 18.6670 178.1569 131 D 4.5227 7.9588 126.6322 54.8817 39.7952 175.1135 132 P 3.8090 0.0000 0.0000 63.5002 28.6811 175.8617 133 C 4.4529 8.4736 123.5745 56.6676 44.5877 173.2664 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 S 8.09 4.76 0.00 3.87 4.09 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 2 L 7.83 3.83 0.00 1.39 1.66 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 F 7.86 4.29 0.00 3.21 3.01 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 4 E 8.25 4.12 0.00 1.86 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 1.47 2.24 0.00 5 L 8.13 4.04 0.00 2.05 1.86 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.60 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 7 K 8.26 3.97 0.00 1.97 2.28 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.73 1.61 7.81 8 M 8.40 4.05 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.84 0.00 9 I 8.05 3.61 2.01 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 1.19 0.89 0.80 0.00 0.00 10 L 8.01 4.22 0.00 1.73 1.81 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.96 3.54 0.00 1.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 1.65 2.24 0.00 12 E 8.32 4.29 0.00 2.06 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 2.53 2.52 0.00 13 T 8.05 4.19 4.29 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 1.23 0.00 0.00 *15 G 7.67 4.19 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 0.00 16 K 7.96 4.44 0.00 1.76 1.56 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.48 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.50 1.32 7.81 17 N 8.41 4.69 0.00 2.76 2.71 0.00 0.00 6.97 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 18 P 0.00 4.48 0.00 2.27 2.16 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 19 A 8.13 4.02 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 20 K 7.99 3.93 0.00 1.87 2.02 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.69 7.81 21 S 8.07 4.72 0.00 3.11 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 22 Y 8.32 4.87 0.00 3.01 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 23 G 8.78 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 24 A 7.92 4.98 1.36 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 25 Y 9.80 4.98 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 26 G 7.65 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 27 C 9.56 4.63 0.00 2.99 3.17 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 28 N 8.84 4.62 0.00 3.03 2.90 0.00 0.00 7.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.56 4.58 0.00 3.44 3.40 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 30 G 8.60 4.52 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 0.00 31 V 8.52 3.64 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 0.86 0.00 0.00 0.98 0.00 0.00 32 L 8.65 3.26 0.00 1.79 1.43 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.28 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 34 R 7.69 5.03 0.00 1.76 1.93 0.00 2.73 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 35 G 9.21 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 36 K 8.68 4.24 0.00 1.79 1.66 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 1.02 7.81 37 P 0.00 4.26 0.00 1.84 1.98 0.00 3.39 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 1.42 1.61 0.00 38 K 8.68 4.03 0.00 1.00 1.18 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.09 7.81 39 D 7.32 4.39 0.00 2.77 2.58 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 0.00 0.00 0.00 0.00 40 A 8.36 3.93 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 41 T 7.98 3.73 4.44 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 0.84 0.00 0.00 42 D 8.94 4.43 0.00 2.96 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 43 R 8.27 3.90 0.00 1.90 2.07 0.00 3.12 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 44 C 8.54 4.19 0.00 3.09 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 45 C 8.04 4.12 0.00 3.08 3.25 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 46 Y 7.98 3.80 0.00 3.24 3.17 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 47 V 8.30 3.64 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 0.96 0.00 0.00 1.08 0.00 0.00 48 H 8.19 3.97 0.00 3.18 3.25 0.00 5.64 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 49 K 8.00 3.63 0.00 1.81 1.64 0.00 1.83 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.26 7.81 50 C 7.86 4.18 0.00 3.03 3.10 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 51 C 8.47 4.34 0.00 3.07 3.33 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 52 Y 8.21 4.21 0.00 3.07 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 53 K 8.18 3.87 0.00 1.92 1.95 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 *57 K 7.82 4.40 0.00 1.78 1.87 0.00 1.65 0.00 0.00 0.61 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 58 L 7.27 4.13 0.00 1.66 1.49 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.22 4.59 4.22 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 1.22 0.00 0.00 60 G 9.93 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 61 C 7.50 4.72 0.00 3.24 3.12 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 *67 D 8.28 4.72 0.00 2.76 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 68 P 0.00 4.12 0.00 1.36 0.49 0.00 3.47 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 69 K 8.15 4.01 0.00 1.74 1.81 0.00 1.71 0.00 0.00 1.97 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.41 7.81 70 K 7.52 4.26 0.00 1.88 1.82 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.32 7.81 71 D 8.30 4.48 0.00 2.76 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 72 R 8.48 4.36 0.00 1.81 1.87 0.00 3.47 0.00 0.00 3.52 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 73 Y 7.69 5.03 0.00 3.29 3.06 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 74 S 9.88 5.18 0.00 3.91 3.85 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 0.00 0.00 0.00 75 Y 8.26 5.57 0.00 3.24 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 76 S 9.54 4.55 0.00 3.88 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 77 W 8.85 5.49 0.00 3.44 3.03 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 0.00 78 K 8.76 4.38 0.00 1.73 1.54 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.31 7.81 79 D 9.21 4.28 0.00 2.66 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 80 K 7.15 2.00 0.00 1.53 1.50 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.26 7.81 81 T 6.71 4.50 4.22 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 1.17 0.00 0.00 82 I 8.54 4.83 1.97 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 1.57 0.93 0.86 0.00 0.00 83 V 9.21 4.40 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 1.12 0.00 0.00 0.95 0.00 0.00 84 C 8.99 4.86 0.00 3.03 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 85 G 9.07 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 86 E 9.04 4.25 0.00 1.99 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 0.00 2.33 2.29 0.00 87 N 8.41 4.02 0.00 2.83 2.15 0.00 0.00 6.66 8.00 0.00 0.00 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 N 8.54 4.88 0.00 2.89 2.88 0.00 0.00 5.91 7.76 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 *90 P 0.00 4.27 0.00 2.21 2.16 0.00 3.65 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 2.00 2.07 0.00 91 C 8.24 4.19 0.00 3.02 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 92 L 8.45 3.85 0.00 1.94 1.74 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.64 3.77 0.00 1.94 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.43 7.81 94 E 8.41 3.82 0.00 2.26 1.88 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 2.28 2.29 0.00 95 L 8.23 3.79 0.00 1.75 1.61 0.60 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.70 3.46 0.00 1.67 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 97 E 8.18 3.92 0.00 2.13 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 2.44 2.45 0.00 98 C 8.57 4.30 0.00 3.34 3.33 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 99 D 8.50 4.35 0.00 2.92 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 0.00 100 K 8.45 3.79 0.00 1.71 1.98 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 A 8.30 3.97 1.41 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 0.00 0.00 0.00 102 V 7.89 3.45 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 0.53 0.00 0.00 0.74 0.00 0.00 103 A 8.11 3.76 1.36 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 0.00 104 I 7.76 3.86 2.00 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 1.41 1.48 0.92 0.00 0.00 105 C 8.01 4.31 0.00 3.04 3.23 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 0.00 106 L 8.30 3.95 0.00 1.48 1.17 -0.18 0.39 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 0.00 107 R 8.11 3.89 0.00 1.90 2.12 0.00 3.28 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.03 0.00 108 E 8.70 4.14 0.00 2.17 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 0.00 2.35 2.35 0.00 109 N 7.71 5.04 0.00 2.82 2.80 0.00 0.00 6.83 6.88 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 0.00 110 L 7.88 4.14 0.00 1.68 1.73 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.13 3.70 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 0.00 0.00 0.00 112 T 7.46 4.44 4.29 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 1.29 0.00 0.00 113 Y 7.83 4.09 0.00 3.01 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 0.00 114 N 9.11 5.25 0.00 2.90 2.85 0.00 0.00 6.77 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 9.20 3.76 0.00 1.84 1.85 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.57 7.81 116 K 7.97 3.58 0.00 1.77 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.34 7.81 117 Y 7.49 4.28 0.00 1.47 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 0.00 0.00 0.00 0.00 118 R 8.20 4.38 0.00 1.54 1.63 0.00 2.54 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 119 Y 7.99 3.93 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 0.00 120 H 8.28 4.32 0.00 3.29 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.51 4.30 0.00 1.63 1.66 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.82 4.04 0.00 1.95 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.01 7.81 123 P 0.00 4.30 0.00 1.93 1.97 0.00 3.44 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 *125 F 8.33 4.40 0.00 2.32 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 0.00 0.00 0.00 0.00 126 C 8.47 4.77 0.00 3.03 3.12 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 *127 K 8.37 3.83 0.00 1.69 1.02 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.06 7.81 *129 K 9.23 4.42 0.00 2.02 2.13 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 130 A 8.44 4.42 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 0.00 131 D 7.96 4.52 0.00 2.87 2.73 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 0.00 132 P 0.00 3.81 0.00 2.20 2.20 0.00 4.13 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 133 C 8.47 4.45 0.00 2.82 2.89 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 * Residues marked with a * may have inaccurate shift predictions.