NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1571 8.1227 123.5768 52.2262 20.6656 178.2229 *2 S 4.3745 8.0824 115.0272 59.8131 64.3050 176.0319 3 K 3.9918 7.9147 119.0237 59.5418 31.7600 179.3029 4 L 4.0481 7.8769 119.1090 57.5346 41.4943 179.0846 5 N 4.3172 8.1389 116.6889 56.7388 38.9718 176.8946 6 R 4.0959 8.0782 119.4563 59.4808 30.1328 179.1270 7 I 3.9475 7.9925 119.4885 64.3615 36.9048 178.2935 8 R 3.9180 7.9769 118.4041 59.9564 29.7187 177.9104 9 H 4.3250 8.2943 115.7640 59.2037 28.6967 177.2512 10 H 4.1196 8.5529 120.0938 59.1899 29.6002 177.1422 11 L 3.9088 8.2404 121.0403 58.1243 41.5745 178.9544 12 H 4.1160 7.9550 117.1551 59.2713 29.5678 177.4752 13 S 4.1806 7.7408 114.5498 60.3808 62.8224 175.8646 14 V 4.1602 7.2723 113.1740 59.8085 32.1490 175.1287 15 Q 3.3398 7.6146 115.6428 56.9017 26.7555 173.3052 16 A 4.7468 7.7719 119.2943 50.6106 21.0071 177.8721 17 E 4.3057 8.5118 121.2928 58.3100 30.9728 176.3697 18 L 4.6314 7.4033 119.5627 53.6348 45.7611 173.3748 19 A 4.8469 8.9224 127.4560 49.9394 22.0805 175.0587 20 V 4.5110 8.5788 122.6321 61.1723 33.7842 174.2578 21 F 5.1713 9.1311 127.9342 56.0899 40.4389 176.8940 22 S 4.5613 9.2468 115.5953 57.4619 64.8832 174.0450 23 D 4.5384 8.8944 122.3483 53.1581 41.7525 174.4985 24 P 4.0370 0.0000 0.0000 65.8017 31.2423 178.6895 25 V 3.7838 8.2376 116.7686 66.4182 31.5146 178.3250 26 T 3.9439 7.9098 114.9760 66.6348 68.4814 176.6987 27 V 3.6162 8.2367 120.6298 66.0596 31.4711 177.5915 28 N 4.6578 8.4466 118.1951 56.3846 38.6230 176.0930 29 Y 4.1501 8.0991 120.0280 60.7888 38.9183 177.8126 30 L 3.9764 7.9152 118.7610 56.3859 41.9567 177.7177 31 T 4.5026 7.7360 105.9152 60.0620 70.2969 175.2331 32 G 3.8733 8.6036 109.6513 45.3607 0.0000 172.6624 33 F 4.7403 8.2702 123.0974 56.2373 40.2297 174.0237 34 F 4.4318 8.2389 130.4328 56.2572 40.5701 174.3731 35 C 3.9192 7.1212 127.4329 57.7462 33.8725 172.3373 36 D 4.3176 8.0155 127.5616 51.9381 40.6588 174.0413 37 P 4.3817 0.0000 0.0000 63.1031 33.5120 178.8511 38 H 3.9613 8.1738 116.9667 57.1360 28.2804 177.2257 39 E 4.1334 9.3279 128.0405 59.1894 30.0007 177.2120 40 R 4.2985 7.8637 118.8463 55.8192 30.9353 175.3166 41 Q 4.1174 8.6262 119.3705 54.5961 30.7148 175.2743 *43 F 4.7324 8.0762 116.0050 57.5691 40.7877 174.2344 44 L 4.9133 8.9171 125.3457 53.6644 43.8368 175.2550 45 F 4.9929 9.5515 127.2271 56.4918 40.3760 175.5658 46 V 4.4908 8.9162 126.5175 61.5949 32.3721 174.6672 47 Y 4.7230 8.6004 125.6660 57.1592 38.7485 175.7525 48 E 4.2214 9.1674 123.6584 58.5459 30.1599 177.3177 49 D 4.7727 8.1276 115.9524 52.6992 40.0786 175.1967 50 R 4.4707 7.3595 114.6897 55.4059 31.8001 173.9687 51 D 4.5360 8.4271 118.0826 53.5662 41.3245 174.8732 52 P 4.7168 0.0000 0.0000 63.0461 32.3934 175.8151 53 I 5.0974 9.0925 122.2081 59.7324 40.8652 174.1317 54 L 5.3113 9.5138 129.5511 53.4729 44.1341 174.5384 55 F 5.1398 9.4769 129.2233 56.6002 41.2446 174.7326 56 V 4.3904 7.8458 117.9778 58.5057 36.5846 173.3913 57 P 4.0263 0.0000 0.0000 62.2367 32.0451 177.5145 58 A 3.8356 8.1434 124.4548 55.6149 18.2403 179.7723 59 L 4.2630 7.6702 112.0366 56.0939 41.9631 177.7341 60 E 4.5822 8.1315 118.3458 55.9488 30.3766 177.7886 61 V 3.4938 7.4830 119.5027 66.1126 31.3879 178.0105 62 S 4.0896 7.8891 111.9437 61.3593 63.1104 175.8345 63 R 4.0226 7.9707 121.6669 59.0645 29.9471 178.0963 64 A 2.9453 8.0288 120.7042 54.8837 18.0366 179.8231 65 K 3.8567 7.8163 115.6097 59.3481 32.1125 179.1598 66 Q 4.1195 7.6411 117.4181 57.9937 28.7516 177.6865 67 S 4.4668 7.6718 115.2359 58.5473 63.8292 174.7222 68 V 4.2157 6.7184 112.8193 58.5645 34.3202 173.8466 69 P 4.3076 0.0000 0.0000 64.1172 31.8669 176.0236 70 F 4.9013 6.6575 113.8528 54.5563 40.2482 173.6977 71 P 4.5780 0.0000 0.0000 63.0025 32.2602 175.8902 72 V 5.2591 8.5035 122.6442 61.2641 34.5945 174.2174 73 F 5.2197 9.6123 121.4376 55.8200 42.1830 173.0924 74 G 4.6842 8.6070 104.9996 45.3672 0.0000 171.0821 75 Y 5.4040 8.0044 116.0176 55.2896 41.5972 175.0631 76 I 4.2173 9.0123 115.4219 59.7719 39.1229 176.6790 77 D 4.2957 8.4023 121.4956 57.4163 40.7063 178.1222 78 S 4.3785 7.9601 111.4070 59.4870 63.6545 173.9489 79 E 4.4284 7.9943 121.4093 55.2839 30.5962 176.0988 80 N 4.5360 8.6397 120.7146 52.7959 39.8113 174.2619 81 P 3.9405 0.0000 0.0000 65.4974 31.2485 178.5768 82 W 4.2261 7.4418 118.2951 59.5288 29.0622 178.0182 83 Q 3.9686 8.6574 119.6426 59.0391 28.5511 178.2966 84 K 4.0326 8.1148 120.6039 59.5269 32.3072 178.7446 85 I 3.8619 7.9070 120.1370 64.5303 36.8426 178.2553 86 A 3.8445 7.8224 120.0087 55.2974 18.2309 179.5595 87 S 4.1833 8.1328 112.3501 60.5875 62.9729 174.8821 88 N 4.5570 7.2026 115.9317 53.4279 40.2623 175.3282 89 L 4.1814 7.3781 117.3692 52.9034 42.4730 174.9319 90 P 4.3237 0.0000 0.0000 63.2923 31.6241 176.2637 91 S 4.6104 7.9907 112.3202 57.8538 63.3630 174.3308 92 F 4.2948 7.8075 119.8000 57.5278 39.2015 175.2399 93 S 4.2123 8.8064 119.0482 58.5854 63.5173 173.9133 94 V 4.3395 8.4111 122.6066 61.3131 33.3220 175.3316 95 S 4.6392 9.0453 122.1660 58.9805 65.6084 173.8853 96 K 4.8890 8.8244 122.2027 54.4145 35.3387 175.2071 97 V 4.5270 8.4704 127.2213 60.9036 34.5429 174.1243 98 L 4.8851 8.4902 127.5276 53.8044 43.7470 175.5145 99 A 5.0052 8.4199 123.0679 50.4442 23.8297 175.4872 100 E 4.6039 8.6736 119.1660 54.9726 28.2157 177.4703 101 F 4.4591 9.2082 123.2368 60.2232 39.3784 176.7124 102 D 4.5774 8.1875 118.4173 55.5959 41.2466 176.0966 103 N 4.7563 7.9821 115.9382 54.7653 40.5293 175.0580 104 L 4.1329 8.1944 118.4679 54.8523 42.0868 177.5951 105 N 4.7050 8.6452 121.5823 52.1606 39.8808 176.3279 106 V 3.6180 8.1877 119.8845 66.2726 31.6124 177.9137 107 T 3.8398 7.9845 115.0908 66.8659 68.2860 176.4803 108 K 4.3873 9.1320 120.5043 59.3304 32.1131 179.1834 109 F 4.1750 8.5129 121.2131 61.6320 39.0926 177.3481 110 Q 3.7681 8.2899 116.5888 58.3304 28.6715 178.6715 111 G 2.0000 7.3471 106.8703 47.0759 0.0000 175.7396 112 L 4.1142 7.4657 122.1655 57.4375 41.4241 179.2835 113 Q 4.4099 7.5270 117.4632 57.1110 28.6741 177.6958 114 T 4.0329 7.3297 110.2224 63.0080 69.2247 176.3869 115 V 3.8088 7.3153 119.9139 63.2104 32.1120 175.3870 116 F 4.8622 8.1186 118.6454 55.8413 40.2789 175.8390 117 D 4.7080 8.8547 124.3447 53.5059 39.8748 176.4343 118 G 4.0125 7.7498 107.5354 45.4212 0.0000 172.3635 119 H 4.8862 9.1333 120.4957 55.5478 30.9402 173.9988 120 F 5.2884 9.0050 124.6456 56.3547 40.6092 174.7811 121 E 4.5959 8.9034 119.7369 54.2010 33.4738 174.2325 122 N 4.0247 7.6803 118.5501 52.8288 39.8176 174.2845 123 L 4.0900 7.8293 123.0561 55.3217 42.4560 177.8741 124 T 4.1351 8.5097 111.9428 60.7698 69.8729 173.4642 125 P 4.2060 0.0000 0.0000 66.0560 31.0081 178.1760 126 Y 4.0613 8.0129 116.9029 60.8966 38.7509 178.0375 127 I 3.7993 7.3035 117.9734 64.4713 37.3530 177.9393 128 Q 4.2542 8.0859 117.8598 57.2894 28.6160 176.7404 129 N 4.5341 7.7875 120.0294 52.0561 39.6301 175.8375 *131 R 4.1613 8.5049 120.8970 56.4027 30.1805 171.6953 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 0 A 8.12 4.16 1.39 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 0.00 0.00 0.00 *2 S 8.08 4.37 0.00 3.90 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 3 K 7.91 3.99 0.00 1.82 1.72 0.00 1.32 0.00 0.00 0.85 0.00 0.00 2.55 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.39 7.81 4 L 7.88 4.05 0.00 1.74 1.69 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.14 4.32 0.00 2.87 3.04 0.00 0.00 7.23 7.65 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 6 R 8.08 4.10 0.00 2.23 2.25 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 7 I 7.99 3.95 2.12 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 1.61 0.88 1.15 0.00 0.00 8 R 7.98 3.92 0.00 1.92 2.12 0.00 3.40 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 9 H 8.29 4.33 0.00 3.42 3.32 0.00 5.68 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 10 H 8.55 4.12 0.00 3.07 3.65 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.24 3.91 0.00 1.90 1.92 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.95 4.12 0.00 3.39 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.74 4.18 0.00 4.00 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 14 V 7.27 4.16 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 0.71 0.00 0.00 0.83 0.00 0.00 15 Q 7.61 3.34 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 16 A 7.77 4.75 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 17 E 8.51 4.31 0.00 1.98 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 2.48 2.30 0.00 18 L 7.40 4.63 0.00 1.34 1.05 0.02 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.92 4.85 0.96 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 0.00 0.00 20 V 8.58 4.51 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 0.80 0.00 0.00 0.84 0.00 0.00 21 F 9.13 5.17 0.00 3.07 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 22 S 9.25 4.56 0.00 4.02 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 0.00 23 D 8.89 4.54 0.00 2.81 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 24 P 0.00 4.04 0.00 2.00 1.53 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 25 V 8.24 3.78 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 1.08 0.00 0.00 1.09 0.00 0.00 26 T 7.91 3.94 4.48 0.00 0.00 0.00 0.00 0.00 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 27 V 8.24 3.62 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 1.17 0.00 0.00 1.06 0.00 0.00 28 N 8.45 4.66 0.00 3.20 3.15 0.00 0.00 6.41 7.09 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 29 Y 8.10 4.15 0.00 2.96 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 30 L 7.92 3.98 0.00 1.70 1.57 -0.01 0.54 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 31 T 7.74 4.50 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 1.47 0.00 0.00 32 G 8.60 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 33 F 8.27 4.74 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 34 F 8.24 4.43 0.00 3.06 2.76 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 0.00 0.00 0.00 0.00 35 C 7.12 3.92 0.00 2.22 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 0.00 0.00 0.00 36 D 8.02 4.32 0.00 2.43 2.38 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 37 P 0.00 4.38 0.00 2.24 2.14 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 38 H 8.17 3.96 0.00 3.30 2.64 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.33 4.13 0.00 2.12 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 0.00 2.30 2.30 0.00 40 R 7.86 4.30 0.00 1.95 1.96 0.00 3.05 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 41 Q 8.63 4.12 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.41 0.00 0.00 0.00 0.00 0.00 2.01 1.69 0.00 *43 F 8.08 4.73 0.00 2.57 2.19 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 44 L 8.92 4.91 0.00 1.90 1.75 1.08 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.55 4.99 0.00 3.36 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 46 V 8.92 4.49 2.33 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 1.12 0.00 0.00 1.12 0.00 0.00 47 Y 8.60 4.72 0.00 3.07 3.11 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 48 E 9.17 4.22 0.00 2.12 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 2.35 2.43 0.00 49 D 8.13 4.77 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 50 R 7.36 4.47 0.00 1.84 1.82 0.00 2.21 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 51 D 8.43 4.54 0.00 2.76 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 52 P 0.00 4.72 0.00 0.49 1.54 0.00 3.26 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.89 0.00 53 I 9.09 5.10 2.39 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 1.31 0.88 1.43 0.00 0.00 54 L 9.51 5.31 0.00 2.19 1.76 1.14 0.67 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 55 F 9.48 5.14 0.00 2.91 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 56 V 7.85 4.39 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 0.73 0.00 0.00 0.85 0.00 0.00 57 P 0.00 4.03 0.00 1.99 1.66 0.00 3.50 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 1.99 2.06 0.00 58 A 8.14 3.84 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 59 L 7.67 4.26 0.00 1.57 1.68 0.87 0.81 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 60 E 8.13 4.58 0.00 2.07 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 0.00 2.20 2.41 0.00 61 V 7.48 3.49 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 1.05 0.00 0.00 0.96 0.00 0.00 62 S 7.89 4.09 0.00 4.05 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 63 R 7.97 4.02 0.00 1.97 2.26 0.00 3.27 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.81 0.00 64 A 8.03 2.95 0.71 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 0.00 0.00 65 K 7.82 3.86 0.00 1.83 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.57 7.81 66 Q 7.64 4.12 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 67 S 7.67 4.47 0.00 3.89 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 68 V 6.72 4.22 0.67 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 0.52 0.00 0.00 0.33 0.00 0.00 69 P 0.00 4.31 0.00 2.20 2.15 0.00 3.35 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 2.09 1.98 0.00 70 F 6.66 4.90 0.00 3.25 3.20 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 71 P 0.00 4.58 0.00 2.31 2.14 0.00 4.05 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 72 V 8.50 5.26 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 0.83 0.00 0.00 0.88 0.00 0.00 73 F 9.61 5.22 0.00 3.32 3.14 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 74 G 8.61 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.00 5.40 0.00 3.17 3.19 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 76 I 9.01 4.22 1.81 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 1.52 0.59 0.86 0.00 0.00 77 D 8.40 4.30 0.00 2.64 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 78 S 7.96 4.38 0.00 4.01 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 79 E 7.99 4.43 0.00 2.40 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 0.00 2.39 2.32 0.00 80 N 8.64 4.54 0.00 2.83 2.77 0.00 0.00 6.83 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 81 P 0.00 3.94 0.00 1.23 0.56 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.41 0.00 82 W 7.44 4.23 0.00 3.53 3.21 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 83 Q 8.66 3.97 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 84 K 8.11 4.03 0.00 2.19 2.08 0.00 1.76 0.00 0.00 1.99 0.00 0.00 3.54 0.00 0.00 3.20 0.00 0.00 0.00 0.00 2.05 2.05 7.81 85 I 7.91 3.86 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.30 0.74 0.00 0.00 86 A 7.82 3.84 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 87 S 8.13 4.18 0.00 3.99 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 88 N 7.20 4.56 0.00 2.00 1.74 0.00 0.00 7.02 7.73 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 89 L 7.38 4.18 0.00 1.50 1.58 0.29 0.87 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 90 P 0.00 4.32 0.00 2.23 2.02 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 91 S 7.99 4.61 0.00 3.84 3.83 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 92 F 7.81 4.29 0.00 3.11 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 93 S 8.81 4.21 0.00 4.02 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 94 V 8.41 4.34 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 0.90 0.00 0.00 1.17 0.00 0.00 95 S 9.05 4.64 0.00 3.93 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 96 K 8.82 4.89 0.00 1.73 1.70 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.21 1.30 7.81 97 V 8.47 4.53 0.67 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 0.27 0.00 0.00 0.18 0.00 0.00 98 L 8.49 4.89 0.00 1.41 1.36 0.89 0.65 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 99 A 8.42 5.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.67 4.60 0.00 2.04 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 2.43 2.34 0.00 101 F 9.21 4.46 0.00 3.02 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 0.00 102 D 8.19 4.58 0.00 2.71 2.75 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 0.00 103 N 7.98 4.76 0.00 2.71 3.00 0.00 0.00 7.04 7.78 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 0.00 104 L 8.19 4.13 0.00 1.67 1.67 1.15 1.34 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 0.00 105 N 8.65 4.71 0.00 3.02 2.99 0.00 0.00 5.89 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 0.00 106 V 8.19 3.62 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 0.97 0.00 0.00 0.89 0.00 0.00 107 T 7.98 3.84 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 108 K 9.13 4.39 0.00 2.12 2.37 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.99 1.82 7.81 109 F 8.51 4.18 0.00 2.94 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 0.00 110 Q 8.29 3.77 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 111 G 7.35 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.47 4.11 0.00 1.61 1.90 0.99 0.87 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 0.00 113 Q 7.53 4.41 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 114 T 7.33 4.03 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 1.00 0.00 0.00 115 V 7.32 3.81 1.83 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 0.05 0.00 0.00 1.01 0.00 0.00 116 F 8.12 4.86 0.00 3.36 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 0.00 117 D 8.85 4.71 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 0.00 118 G 7.75 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 0.00 119 H 9.13 4.89 0.00 3.23 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.00 5.29 0.00 3.34 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 4.60 0.00 1.84 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 2.08 2.09 0.00 122 N 7.68 4.02 0.00 2.23 2.50 0.00 0.00 6.99 7.78 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 0.00 123 L 7.83 4.09 0.00 1.58 1.63 1.10 0.61 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 0.00 124 T 8.51 4.14 4.36 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 1.27 0.00 0.00 125 P 0.00 4.21 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 126 Y 8.01 4.06 0.00 2.86 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 0.00 127 I 7.30 3.80 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.86 1.20 0.00 0.00 128 Q 8.09 4.25 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 129 N 7.79 4.53 0.00 2.72 2.70 0.00 0.00 6.90 7.23 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 *131 R 8.50 4.16 0.00 1.85 1.74 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.