NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3764 8.3344 116.7938 57.8297 63.1655 172.6469 3 V 3.1747 8.2770 124.4241 63.0160 31.5692 173.7881 4 N 4.6156 8.8251 126.5634 52.2382 40.5400 173.5838 5 A 4.4888 7.9693 123.6696 51.1304 22.4101 175.3282 6 L 4.6089 8.5065 118.7999 55.0756 42.5611 174.6726 7 Y 4.7684 7.1709 113.9333 56.0291 40.9283 173.8834 8 D 4.3019 8.6941 119.5466 53.8897 40.1309 175.6283 9 Y 3.7561 8.0783 128.6536 56.7474 37.6858 174.2991 10 K 4.4230 6.8860 126.8094 54.6523 35.3452 175.3199 11 F 4.8650 8.2887 123.4276 55.3797 43.0036 174.2685 12 E 4.1339 8.8261 123.9315 55.4377 29.6447 175.3387 13 P 4.3697 0.0000 0.0000 62.8799 31.6000 177.4913 14 K 4.0932 8.8400 121.9746 58.5599 32.0952 177.0602 15 D 5.1636 7.1790 116.0435 54.6896 41.9672 176.1771 16 K 4.7323 7.2579 118.4596 54.2205 31.6398 176.6715 17 V 2.9586 8.7554 123.9155 64.7595 31.0550 177.9881 18 E 3.9911 8.2622 118.3035 58.5656 29.3396 177.0182 19 N 4.7113 8.9183 115.7409 53.1014 38.6651 175.1790 20 F 4.5412 8.2546 116.1613 56.9172 39.8022 175.5777 21 H 3.8967 8.6037 115.0282 57.9601 25.9782 176.1426 22 G 3.8432 7.7634 105.5052 46.3880 0.0000 171.6317 *24 Q 3.9494 7.3510 118.0979 55.9422 31.1803 175.6880 25 L 4.3446 8.0072 120.1409 54.4212 42.9552 175.5434 26 L 4.7417 8.4036 126.0854 53.4022 44.5917 174.4555 27 Y 5.9229 8.1305 123.0227 55.8679 40.2626 175.4328 28 V 5.3166 8.3216 121.8196 60.4225 35.0613 173.2434 29 Y 4.9045 8.8251 129.6319 56.6417 40.2728 173.7443 30 W 5.0153 8.8670 135.0000 55.0020 31.6738 173.2631 31 P 4.0407 0.0000 0.0000 61.9141 31.9372 175.3878 32 D 4.2912 8.5514 116.7146 55.6657 38.9687 174.6717 33 H 4.5777 7.1924 111.8864 54.5989 29.0180 174.3210 34 L 4.5214 8.4346 116.7293 54.9687 42.2802 178.3319 35 L 2.6173 7.3754 122.7867 57.6087 41.6244 177.4795 36 F 4.5576 7.3297 120.2862 56.2877 38.0056 175.9142 37 C 4.0112 8.7740 121.8831 60.7652 29.3534 173.6287 38 A 4.5606 7.4565 120.5187 49.5822 22.0408 173.6525 39 P 4.3083 0.0000 0.0000 62.4709 32.1178 176.9822 40 F 4.6331 7.9809 121.2368 58.1289 40.3935 174.3326 41 A 5.1508 8.8597 123.4320 50.6941 20.3534 175.9165 42 L 4.6159 9.1057 122.5174 53.6861 44.7140 175.8838 43 L 4.9864 8.3584 123.7758 53.7459 43.1788 175.7405 44 V 4.5681 8.4195 119.4358 59.2260 35.3704 175.7466 45 Q 4.1794 8.4779 121.7142 55.0212 29.5432 174.8474 46 P 4.2857 0.0000 0.0000 65.4981 31.5761 176.2791 47 G 4.1902 7.6899 107.9183 44.6094 0.0000 172.5415 *49 T 4.8064 7.7144 114.8212 61.1846 70.5023 175.5717 50 F 3.7346 8.8401 124.3226 61.7455 39.3755 177.2850 51 S 4.1867 8.5260 114.7044 61.9554 62.5532 176.9522 52 A 3.9237 7.9114 122.9652 54.8584 18.1579 179.0383 53 L 3.8521 7.7809 118.6155 58.4669 41.8436 179.3071 54 V 3.4481 7.3622 117.4859 66.2906 31.3423 177.8038 55 D 4.3344 8.0057 117.1087 56.8755 40.7918 177.8677 56 E 4.3633 8.8660 118.3987 57.1756 30.3269 176.5293 57 I 4.2037 7.2621 116.4292 62.6508 39.4607 177.3893 58 L 3.6420 7.9488 120.7046 57.8605 41.7340 179.1308 59 K 3.9094 7.8687 117.5859 59.2234 32.3929 176.9601 60 P 4.3441 0.0000 0.0000 65.7310 31.0899 178.5837 61 A 3.7303 7.8765 118.4238 54.0280 18.4390 178.6303 62 T 4.1294 7.6135 106.4844 61.5273 69.2283 176.1570 63 A 4.1964 8.0263 125.5824 54.8524 18.4581 178.8652 64 A 4.1467 8.3347 117.9343 54.7136 19.0196 177.0035 65 H 4.4837 8.8669 117.6280 54.8540 30.4132 174.1739 66 P 4.5947 0.0000 0.0000 64.5927 31.0717 176.9028 67 D 4.6245 8.5432 119.4946 56.8506 41.3190 178.1168 68 S 4.2839 8.8476 114.4561 61.5137 62.5283 176.2805 69 A 4.0615 8.3235 121.2373 54.8121 18.1472 178.3600 70 K 4.4261 7.5632 111.6907 56.7886 33.1298 176.3345 71 A 4.4139 7.1688 121.7799 51.7239 20.7211 177.8088 72 D 4.6547 7.4757 118.3031 51.6298 41.5174 176.0580 73 F 4.1950 8.0796 122.5143 60.0184 39.5379 177.4913 74 L 4.4300 8.3851 120.5504 57.7275 41.8147 177.0427 75 N 5.0141 8.2947 114.2608 52.8469 38.9322 173.7087 76 A 4.8105 8.0812 120.7116 49.8893 22.3909 176.6773 77 E 4.3089 8.6170 118.3635 56.2923 30.4834 176.7999 78 W 5.6607 9.0410 123.7679 54.0714 33.0448 174.5481 79 L 5.3835 8.7419 121.5831 53.0677 45.2103 175.0307 80 L 4.6132 9.1876 124.5694 53.5478 44.2767 176.0197 81 N 4.1770 9.5037 124.6770 55.0247 35.8138 174.4842 82 D 4.6256 8.0755 111.8034 54.7911 39.7667 173.9666 83 E 4.8416 7.9572 118.9308 53.5521 32.2049 173.7094 84 P 4.9778 0.0000 0.0000 63.0611 32.0618 175.5276 85 F 4.9060 8.9002 124.4002 57.2492 43.0065 173.7838 86 T 4.2312 7.0139 120.0142 60.7452 70.7355 172.2408 87 P 3.5463 0.0000 0.0000 61.8988 31.6088 176.2189 88 K 4.1960 8.3670 122.1692 54.3581 33.1972 177.1971 89 A 4.1236 8.6308 127.6972 54.8469 18.3110 178.1171 90 D 4.7343 7.8148 111.7576 54.1135 42.7552 176.7120 91 A 4.3244 7.4867 122.1262 51.5011 19.0036 177.2513 92 S 4.4808 9.3439 116.0648 58.0607 64.1044 175.0267 93 L 4.1806 8.8519 123.3958 58.4163 41.5093 179.9386 94 K 3.9437 8.0978 119.0022 59.4627 31.8869 178.1250 95 E 4.2190 8.2916 118.3970 57.6157 29.5424 176.9160 96 Q 4.5672 8.0180 116.0530 55.9955 28.8900 176.6887 97 G 4.0185 8.1550 106.8148 46.1945 0.0000 175.9391 98 I 3.9304 7.3361 120.5974 61.2475 34.9243 175.0637 99 D 4.7217 7.7118 124.9655 51.4023 42.0986 175.5073 100 H 4.3767 8.4115 119.0749 57.8856 29.8660 175.4465 101 K 3.7710 9.3726 126.4101 56.7552 30.7229 178.7995 102 S 4.9844 7.4858 117.7741 57.7516 63.0201 172.8328 *104 L 4.7932 8.2703 122.6801 56.1462 43.5211 175.9646 105 T 5.1982 8.7400 119.4682 61.7741 71.1663 173.7960 106 V 4.0146 8.5452 126.0271 60.0262 33.4858 175.1704 107 T 4.5191 8.8400 124.3720 62.4818 69.8488 174.2207 108 T 4.6595 8.6701 117.5892 60.0282 70.2362 172.7876 109 P 4.3607 0.0000 0.0000 63.1639 32.0385 176.6938 110 G 3.8761 9.1105 111.1212 45.2515 0.0000 172.8184 111 L 4.7047 7.6975 118.9431 53.1589 42.6943 176.2377 112 K 4.4634 8.2126 125.5609 55.7371 33.8267 177.7210 113 G 3.8370 7.5339 107.3671 45.9274 0.0000 172.5048 *115 A 4.3183 8.2171 123.1516 52.5119 19.3910 177.2439 116 N 5.0630 8.6453 105.1347 54.1279 39.3120 174.5014 117 A 4.5882 7.6724 116.3678 50.8531 20.6595 176.5343 118 G 3.9229 7.9714 104.4007 46.8621 0.0000 173.6336 119 Y 4.2159 7.8451 125.4449 57.2278 38.8788 174.9681 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 8.33 4.38 0.00 3.87 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 3 V 8.28 3.17 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 0.15 0.00 0.00 0.83 0.00 0.00 4 N 8.83 4.62 0.00 2.65 2.66 0.00 0.00 6.81 7.35 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 5 A 7.97 4.49 0.94 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 0.00 0.00 6 L 8.51 4.61 0.00 1.68 1.87 0.97 0.86 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 7 Y 7.17 4.77 0.00 3.09 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 8 D 8.69 4.30 0.00 2.66 2.68 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 9 Y 8.08 3.76 0.00 2.64 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 10 K 6.89 4.42 0.00 1.45 1.35 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.40 7.81 11 F 8.29 4.86 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 12 E 8.83 4.13 0.00 2.01 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 2.34 2.27 0.00 13 P 0.00 4.37 0.00 2.28 2.26 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 14 K 8.84 4.09 0.00 1.81 1.94 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 15 D 7.18 5.16 0.00 2.77 2.84 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 16 K 7.26 4.73 0.00 1.94 1.80 0.00 1.73 0.00 0.00 2.14 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.66 7.81 17 V 8.76 2.96 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 0.70 0.00 0.00 0.72 0.00 0.00 18 E 8.26 3.99 0.00 1.98 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 0.00 2.32 2.41 0.00 19 N 8.92 4.71 0.00 2.80 2.56 0.00 0.00 6.81 6.59 0.00 0.00 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 F 8.25 4.54 0.00 3.08 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 21 H 8.60 3.90 0.00 3.28 3.36 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.76 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 0.00 0.00 0.00 *24 Q 7.35 3.95 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 7.06 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 25 L 8.01 4.34 0.00 1.02 0.96 0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.40 4.74 0.00 1.61 1.34 0.91 0.42 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 27 Y 8.13 5.92 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.32 5.32 2.25 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 1.14 0.00 0.00 1.02 0.00 0.00 29 Y 8.83 4.90 0.00 3.00 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 30 W 8.87 5.02 0.00 3.31 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 31 P 0.00 4.04 0.00 1.72 1.51 0.00 3.91 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.06 0.00 32 D 8.55 4.29 0.00 2.62 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 33 H 7.19 4.58 0.00 2.67 2.69 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.43 4.52 0.00 1.71 1.77 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.38 2.62 0.00 0.54 0.94 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.33 4.56 0.00 3.27 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 37 C 8.77 4.01 0.00 3.10 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 38 A 7.46 4.56 1.17 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 0.00 0.00 39 P 0.00 4.31 0.00 1.84 2.05 0.00 3.49 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 40 F 7.98 4.63 0.00 3.06 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 41 A 8.86 5.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.11 4.62 0.00 1.46 1.49 0.86 0.15 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 43 L 8.36 4.99 0.00 1.63 1.56 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.42 4.57 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 0.64 0.00 0.00 0.88 0.00 0.00 45 Q 8.48 4.18 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 46 P 0.00 4.29 0.00 2.16 2.22 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 47 G 7.69 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 *49 T 7.71 4.81 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 1.25 0.00 0.00 50 F 8.84 3.73 0.00 3.13 3.22 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 51 S 8.53 4.19 0.00 4.14 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 52 A 7.91 3.92 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 53 L 7.78 3.85 0.00 1.45 1.41 0.73 0.32 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 54 V 7.36 3.45 2.25 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 1.22 0.00 0.00 1.03 0.00 0.00 55 D 8.01 4.33 0.00 2.68 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 56 E 8.87 4.36 0.00 2.02 1.94 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 2.25 2.30 0.00 57 I 7.26 4.20 1.80 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 1.42 1.01 0.77 0.00 0.00 58 L 7.95 3.64 0.00 1.53 1.54 0.71 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 0.00 0.00 0.00 0.00 59 K 7.87 3.91 0.00 1.74 1.88 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.33 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.67 7.81 60 P 0.00 4.34 0.00 2.15 2.05 0.00 3.51 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 61 A 7.88 3.73 0.39 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 62 T 7.61 4.13 4.60 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 0.99 0.00 0.00 63 A 8.03 4.20 1.44 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 0.00 0.00 0.00 64 A 8.33 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.87 4.48 0.00 3.48 3.64 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.59 0.00 2.28 2.20 0.00 3.28 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 1.99 1.96 0.00 67 D 8.54 4.62 0.00 2.97 3.02 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 68 S 8.85 4.28 0.00 4.42 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 0.00 69 A 8.32 4.06 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 70 K 7.56 4.43 0.00 1.90 1.91 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.38 7.81 71 A 7.17 4.41 0.34 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 72 D 7.48 4.65 0.00 2.63 2.44 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 0.00 73 F 8.08 4.19 0.00 3.24 3.22 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 74 L 8.39 4.43 0.00 1.79 1.87 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.29 5.01 0.00 2.98 2.83 0.00 0.00 6.82 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 76 A 8.08 4.81 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 77 E 8.62 4.31 0.00 2.08 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 0.00 2.36 2.32 0.00 78 W 9.04 5.66 0.00 3.67 3.32 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 79 L 8.74 5.38 0.00 1.73 1.67 1.02 0.49 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 80 L 9.19 4.61 0.00 1.16 1.51 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 9.50 4.18 0.00 2.91 2.81 0.00 0.00 7.10 8.08 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 82 D 8.08 4.63 0.00 2.87 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 83 E 7.96 4.84 0.00 2.20 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 2.26 2.42 0.00 84 P 0.00 4.98 0.00 1.99 2.05 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 85 F 8.90 4.91 0.00 3.03 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 86 T 7.01 4.23 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 1.03 0.00 0.00 87 P 0.00 3.55 0.00 1.21 0.49 0.00 3.30 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.26 0.00 88 K 8.37 4.20 0.00 1.73 1.60 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 1.23 7.81 89 A 8.63 4.12 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 90 D 7.81 4.73 0.00 2.65 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 91 A 7.49 4.32 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 92 S 9.34 4.48 0.00 3.95 3.98 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 93 L 8.85 4.18 0.00 1.87 1.77 0.90 0.52 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 94 K 8.10 3.94 0.00 1.87 1.80 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 95 E 8.29 4.22 0.00 2.02 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 0.00 2.32 2.31 0.00 96 Q 8.02 4.57 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.26 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 97 G 8.15 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 0.00 0.00 0.00 98 I 7.34 3.93 1.94 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 0.49 0.83 0.00 0.00 99 D 7.71 4.72 0.00 2.88 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 0.00 100 H 8.41 4.38 0.00 2.96 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.37 3.77 0.00 1.66 2.00 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.03 0.80 7.81 102 S 7.49 4.98 0.00 3.85 3.77 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 *104 L 8.27 4.79 0.00 1.84 2.10 0.94 0.50 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 0.00 105 T 8.74 5.20 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 1.16 0.00 0.00 106 V 8.55 4.01 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 0.30 0.00 0.00 -0.07 0.00 0.00 107 T 8.84 4.52 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 1.20 0.00 0.00 108 T 8.67 4.66 4.30 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 1.09 0.00 0.00 109 P 0.00 4.36 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 110 G 9.11 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 0.00 0.00 0.00 111 L 7.70 4.70 0.00 1.75 1.92 0.99 0.93 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 0.00 112 K 8.21 4.46 0.00 1.67 1.84 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.31 7.81 113 G 7.53 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 0.00 0.00 0.00 *115 A 8.22 4.32 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 0.00 116 N 8.65 5.06 0.00 2.66 2.75 0.00 0.00 6.46 7.35 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 0.00 117 A 7.67 4.59 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 0.00 118 G 7.97 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 0.00 119 Y 7.85 4.22 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.