NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.7571 8.3544 109.7392 45.1270 0.0000 173.4679 *14 K 4.0874 8.0735 116.2562 55.6069 34.4445 174.1964 15 E 5.1303 8.8229 127.4416 54.3448 32.4926 174.5275 16 I 4.6586 8.6184 125.9216 59.0988 41.5276 173.6686 17 A 4.9467 8.6071 130.5737 51.1737 20.2427 176.5249 18 I 4.6935 8.3975 122.3898 58.9366 41.5204 175.2866 19 Q 4.4530 8.7345 125.0370 55.9999 29.2681 176.7156 20 E 3.8724 9.2160 124.1163 59.1850 29.6739 178.9900 21 K 4.1079 7.9399 115.9238 59.0516 32.9453 176.9239 22 D 4.7480 8.1553 119.3472 54.1554 40.9969 175.2409 23 L 5.1982 7.7775 119.3940 53.1753 44.7787 176.0922 24 T 4.4242 8.8789 120.2650 62.2785 70.0357 173.6148 25 L 4.6291 8.4086 126.7777 53.0397 43.6935 175.7952 26 Q 4.3935 8.4281 125.1824 54.2594 31.0007 173.9302 27 W 5.0969 8.4666 126.7456 54.4963 31.8463 175.9145 28 R 4.0349 9.3450 125.9459 57.6729 30.0663 176.7592 29 G 4.1377 9.5616 112.2027 46.1745 0.0000 175.5958 30 N 4.5979 8.7466 117.3447 53.8464 38.1429 175.1130 31 T 4.4508 7.8728 104.7153 60.7823 71.2185 175.1779 32 G 4.1944 8.0529 116.2237 45.2521 0.0000 174.1141 33 K 4.6566 8.6235 125.5795 56.2077 33.6286 175.5917 34 L 3.7404 8.8946 129.7525 55.1430 41.9174 176.1165 35 V 4.2623 8.5161 126.9370 64.3963 33.1487 175.4782 36 K 4.7539 7.2126 116.9361 55.8151 35.7954 174.7164 37 V 4.7169 8.4130 113.6791 59.5100 35.8356 174.7044 38 R 4.8942 8.5330 123.7136 54.1478 33.1180 174.7191 39 L 4.6295 8.4671 126.2484 54.5643 42.3858 177.4016 40 K 4.1542 9.1020 122.6364 56.4666 32.9226 178.1367 41 N 4.3120 8.8373 119.7827 57.0171 38.8639 177.1479 42 T 4.0542 8.0071 113.2796 66.7124 68.8156 175.6405 43 R 4.0216 8.1443 119.5214 59.4318 30.1448 178.5094 44 A 4.1491 8.0035 117.6760 52.7953 17.6599 177.2249 *46 E 4.3263 8.1813 117.9318 57.5216 31.0878 177.1466 *48 W 4.7481 7.9905 128.2831 57.1846 32.3961 176.9499 49 Y 3.5893 8.1848 114.0510 60.7911 37.3942 176.8503 50 N 4.5243 8.1739 115.0452 53.1347 39.0640 175.1710 51 K 3.8235 7.3303 116.4464 57.3129 30.3755 176.9299 52 Q 4.1508 8.4776 120.6289 58.5077 29.3704 176.0594 53 I 4.9191 7.6570 116.4012 59.2217 40.8317 175.0171 54 T 4.8548 9.3498 114.2632 59.0072 73.0910 174.6523 55 E 3.7852 8.4435 121.5879 59.5774 29.5575 178.2507 56 E 4.1173 8.1536 118.0967 58.1149 30.1154 177.1567 57 N 4.8481 8.1925 115.1499 52.9739 38.3289 176.5381 58 I 3.8580 7.8250 121.8477 64.2797 37.8974 176.7282 59 Q 4.4613 7.9474 115.5737 56.8381 28.8862 177.1484 60 E 4.2735 8.2479 120.5405 57.6245 29.7537 177.1651 61 I 4.1189 7.3387 120.5199 61.5155 37.6230 175.6378 62 T 4.5644 9.2066 115.5352 62.3435 71.1879 174.5373 63 T 4.9947 7.6037 118.5022 61.8983 73.2910 172.4798 64 L 4.7932 8.8600 126.4766 53.0566 44.3374 175.1579 65 N 5.1539 9.0212 123.8541 52.1753 39.9287 173.5300 66 I 4.5815 8.8928 128.9532 60.9964 38.6992 175.1974 67 I 5.0131 7.9725 127.8980 59.4791 39.9308 174.7342 68 K 4.2550 9.2758 123.5979 56.4582 36.3145 174.4946 69 N 4.2988 9.9067 123.0090 54.5465 36.0824 175.0845 70 G 3.9306 8.5504 102.4232 45.9635 0.0000 173.8854 71 K 4.7575 8.2292 119.1940 54.2569 35.2383 174.9797 72 S 5.4086 8.1799 113.4973 56.9759 66.3154 173.4223 73 L 4.6712 9.1080 123.5902 53.5017 45.0070 174.8231 74 A 4.8870 8.7160 128.7494 51.4637 19.8474 176.2811 75 L 4.7687 9.0498 121.8613 52.7881 45.7509 176.2184 76 E 4.5510 9.3771 123.9743 56.4941 30.8053 176.5867 77 V 4.5617 8.2466 115.9837 60.0336 35.1620 175.6121 78 Y 4.5583 8.6100 119.8085 56.1918 37.3583 175.1565 79 P 4.4303 0.0000 0.0000 65.4210 31.7347 178.3813 80 E 4.2914 8.2492 115.0247 57.3822 29.6833 177.1194 81 K 4.2136 7.9254 117.4359 56.6129 33.0873 177.0318 82 S 4.6000 7.7216 116.5269 58.8244 63.0622 173.9041 83 I 4.7752 8.3822 117.0334 59.6541 41.3801 173.4444 84 Y 4.6323 8.6695 120.7532 57.2491 39.1320 175.3599 85 V 4.6096 8.5454 115.8831 58.9327 36.2150 174.8812 86 K 4.2736 8.8108 124.1911 56.5513 32.3330 173.4444 87 P 4.0528 0.0000 0.0000 65.4075 30.9905 178.2133 *91 R 4.2900 8.5343 115.5286 54.7931 32.3369 177.5390 92 I 4.3913 7.2051 117.1482 58.4630 39.9721 174.6740 93 N 4.8286 8.6448 125.8853 53.5949 40.0094 174.1917 94 V 4.5351 8.6062 114.0188 58.8512 35.9078 173.6540 95 P 3.7751 0.0000 0.0000 62.2177 32.7206 175.4645 96 V 4.6539 8.0676 122.3985 61.0334 35.1834 174.1641 97 F 5.1841 8.9976 125.2220 55.7139 42.9700 173.8501 98 F 5.0193 9.0363 120.6992 55.9711 41.0561 174.8822 99 I 4.2506 8.6530 125.8049 61.1685 37.1827 175.6926 100 K 3.5036 8.6695 129.2341 58.6994 32.9072 177.3551 101 T 3.9146 7.6914 116.0150 63.2602 68.8283 172.3745 102 P 4.4906 0.0000 0.0000 62.6359 32.0972 175.8365 103 I 4.7471 8.3978 123.7139 59.8336 41.8852 173.4455 104 N 5.6053 8.8489 125.4725 51.6480 41.4571 175.9172 105 R 2.5100 8.3221 119.5638 58.7789 29.7999 178.8744 106 G 3.5194 7.7883 105.1442 47.9278 0.0000 175.7543 107 V 3.6658 7.7075 120.8929 65.2340 31.6218 177.5887 108 F 4.1355 8.4150 120.5230 61.5297 39.3051 177.0019 109 E 4.1130 8.6006 118.3320 59.3108 28.9803 179.0981 110 E 3.8715 8.2634 118.1346 59.5154 29.6659 178.9825 111 I 3.5327 7.5796 118.4764 64.5559 37.2424 178.0644 112 F 4.4168 7.6949 116.2971 57.2726 39.1358 176.2390 113 G 4.2905 8.4120 112.0253 45.9987 0.0000 173.1709 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 12 G 8.35 3.76 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 0.00 0.00 0.00 *14 K 8.07 4.09 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 15 E 8.82 5.13 0.00 1.95 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 2.14 2.37 0.00 16 I 8.62 4.66 1.85 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 1.12 1.15 0.75 0.00 0.00 17 A 8.61 4.95 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 18 I 8.40 4.69 1.82 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 1.26 0.84 0.91 0.00 0.00 19 Q 8.73 4.45 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 20 E 9.22 3.87 0.00 1.61 1.84 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 2.38 2.41 0.00 21 K 7.94 4.11 0.00 1.90 1.92 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.46 7.81 22 D 8.16 4.75 0.00 2.90 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 23 L 7.78 5.20 0.00 1.58 1.47 0.88 0.59 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 24 T 8.88 4.42 4.18 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 1.17 0.00 0.00 25 L 8.41 4.63 0.00 1.35 0.75 0.91 0.31 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 26 Q 8.43 4.39 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 27 W 8.47 5.10 0.00 3.32 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 28 R 9.35 4.03 0.00 1.90 1.91 0.00 3.32 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 29 G 9.56 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 0.00 0.00 0.00 0.00 30 N 8.75 4.60 0.00 2.90 3.01 0.00 0.00 6.63 7.46 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 31 T 7.87 4.45 4.17 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 1.16 0.00 0.00 32 G 8.05 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 33 K 8.62 4.66 0.00 1.95 1.78 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.53 7.81 34 L 8.89 3.74 0.00 0.59 1.29 -0.32 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.52 4.26 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 1.14 0.00 0.00 1.02 0.00 0.00 36 K 7.21 4.75 0.00 1.14 1.11 0.00 1.24 0.00 0.00 1.17 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.15 7.81 37 V 8.41 4.72 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 0.50 0.00 0.00 0.96 0.00 0.00 38 R 8.53 4.89 0.00 1.70 1.61 0.00 3.01 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 39 L 8.47 4.63 0.00 1.55 1.59 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.10 4.15 0.00 1.78 1.73 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.42 7.81 41 N 8.84 4.31 0.00 2.69 2.88 0.00 0.00 6.98 7.54 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 42 T 8.01 4.05 4.27 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 1.25 0.00 0.00 43 R 8.14 4.02 0.00 1.93 1.99 0.00 3.39 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 44 A 8.00 4.15 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 *46 E 8.18 4.33 0.00 2.15 2.22 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 2.36 2.37 0.00 *48 W 7.99 4.75 0.00 3.58 3.30 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 0.00 49 Y 8.18 3.59 0.00 3.21 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 50 N 8.17 4.52 0.00 2.78 2.88 0.00 0.00 7.10 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 51 K 7.33 3.82 0.00 1.82 1.82 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.64 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.19 1.36 7.81 52 Q 8.48 4.15 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 53 I 7.66 4.92 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 1.20 0.00 0.00 54 T 9.35 4.85 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 1.22 0.00 0.00 55 E 8.44 3.79 0.00 1.64 1.89 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 2.18 2.10 0.00 56 E 8.15 4.12 0.00 1.97 1.96 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 2.29 2.43 0.00 57 N 8.19 4.85 0.00 3.08 3.06 0.00 0.00 6.51 7.24 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 58 I 7.82 3.86 2.26 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 1.11 0.00 0.00 59 Q 7.95 4.46 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 60 E 8.25 4.27 0.00 2.06 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 2.39 2.49 0.00 61 I 7.34 4.12 2.22 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.83 0.00 0.00 62 T 9.21 4.56 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 1.29 0.00 0.00 63 T 7.60 4.99 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 1.22 0.00 0.00 64 L 8.86 4.79 0.00 1.41 1.38 0.52 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.02 5.15 0.00 2.95 2.71 0.00 0.00 6.86 7.96 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 66 I 8.89 4.58 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.77 0.00 0.00 67 I 7.97 5.01 1.85 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 1.25 1.02 0.92 0.00 0.00 68 K 9.28 4.26 0.00 1.40 0.84 0.00 1.80 0.00 0.00 1.37 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.24 7.81 69 N 9.91 4.30 0.00 3.02 2.93 0.00 0.00 7.00 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 70 G 8.55 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 71 K 8.23 4.76 0.00 2.10 1.60 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.43 7.81 72 S 8.18 5.41 0.00 4.07 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 73 L 9.11 4.67 0.00 1.77 1.78 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.72 4.89 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 75 L 9.05 4.77 0.00 1.49 1.50 1.03 0.93 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 76 E 9.38 4.55 0.00 1.76 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 2.29 2.25 0.00 77 V 8.25 4.56 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 0.58 0.00 0.00 1.00 0.00 0.00 78 Y 8.61 4.56 0.00 3.03 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 79 P 0.00 4.43 0.00 2.25 2.43 0.00 3.70 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 2.18 2.18 0.00 80 E 8.25 4.29 0.00 1.96 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 2.36 2.29 0.00 81 K 7.93 4.21 0.00 1.96 1.23 0.00 1.41 0.00 0.00 1.07 0.00 0.00 2.55 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.09 1.25 7.81 82 S 7.72 4.60 0.00 3.76 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 83 I 8.38 4.78 1.92 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 1.57 0.74 1.01 0.00 0.00 84 Y 8.67 4.63 0.00 2.84 2.95 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 85 V 8.55 4.61 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 0.69 0.00 0.00 0.92 0.00 0.00 86 K 8.81 4.27 0.00 1.76 1.70 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.26 7.81 87 P 0.00 4.05 0.00 2.19 2.11 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 *91 R 8.53 4.29 0.00 1.88 1.92 0.00 3.21 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 92 I 7.21 4.39 1.59 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 1.17 0.77 0.86 0.00 0.00 93 N 8.64 4.83 0.00 2.83 2.98 0.00 0.00 6.91 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 94 V 8.61 4.54 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 0.77 0.00 0.00 0.89 0.00 0.00 95 P 0.00 3.78 0.00 1.70 1.27 0.00 3.41 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 96 V 8.07 4.65 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 0.58 0.00 0.00 0.75 0.00 0.00 97 F 9.00 5.18 0.00 2.90 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 98 F 9.04 5.02 0.00 3.18 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 99 I 8.65 4.25 1.99 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 0.97 0.57 0.95 0.00 0.00 100 K 8.67 3.50 0.00 0.79 1.42 0.00 1.75 0.00 0.00 1.38 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 1.02 7.81 101 T 7.69 3.91 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 1.23 0.00 0.00 102 P 0.00 4.49 0.00 1.98 2.05 0.00 3.68 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 2.06 2.12 0.00 103 I 8.40 4.75 2.02 0.00 0.00 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 1.71 1.77 1.08 0.00 0.00 104 N 8.85 5.61 0.00 2.77 2.74 0.00 0.00 6.77 7.66 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 0.00 105 R 8.32 2.51 0.00 0.75 1.47 0.00 2.21 0.00 0.00 2.73 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 106 G 7.79 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 0.00 0.00 0.00 107 V 7.71 3.67 2.16 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 1.08 0.00 0.00 0.95 0.00 0.00 108 F 8.42 4.14 0.00 3.61 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 0.00 109 E 8.60 4.11 0.00 2.15 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 2.49 2.42 0.00 110 E 8.26 3.87 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 2.32 2.47 0.00 111 I 7.58 3.53 1.16 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 -0.18 0.00 0.00 112 F 7.69 4.42 0.00 2.84 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 0.00 113 G 8.41 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.