NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3511 8.2033 119.6868 55.8250 31.5223 177.2247 2 I 3.5334 7.7967 119.2066 63.8105 36.8219 174.4370 3 E 3.9438 9.0283 120.2105 59.8724 29.7665 178.7524 4 D 4.4435 8.0501 117.9304 57.3520 40.9154 178.6983 5 K 3.9262 8.4999 120.4744 59.6702 32.3141 178.9304 6 I 3.9449 7.9104 121.9493 64.4361 36.8944 179.0673 7 E 3.9732 7.6988 118.2817 61.0477 29.5891 183.1311 8 E 4.0864 8.2138 119.9998 59.2978 29.5058 179.2421 9 I 3.6693 8.0303 120.0534 64.8330 37.3648 178.3746 10 L 3.9444 7.7779 118.9186 57.7685 41.3631 179.7288 11 S 3.9778 7.9498 113.1123 61.1877 62.2928 176.3402 12 K 3.8913 8.1487 121.3357 59.5603 31.8638 179.1160 13 I 3.6939 8.1397 121.5386 64.8001 37.7493 178.2783 *14 Y 3.9590 7.7088 121.0581 62.4442 36.7310 180.4883 15 H 4.5061 8.1132 118.8998 58.5834 28.8977 178.0112 16 I 3.8296 8.1508 115.1862 63.7437 37.2683 177.8340 17 E 3.9820 8.2805 121.0156 58.9624 29.2366 178.7502 18 N 4.3867 8.1041 116.7854 56.2236 38.6429 176.7768 19 E 3.9425 7.7503 120.1869 59.7467 29.5339 179.5253 20 I 3.6469 7.6091 118.5822 64.5548 37.3393 178.2503 21 A 3.9697 7.6081 119.9950 55.1067 18.1496 179.3271 22 R 3.8073 8.2140 117.3074 59.9335 30.0694 178.5799 23 I 3.6996 8.1636 119.6510 64.6071 36.9391 178.6658 24 K 3.9991 8.2102 118.2025 58.7382 32.0505 179.3029 25 K 4.0491 7.7910 119.9543 59.3575 32.2106 178.3390 26 L 3.9287 7.8296 120.5873 58.5792 41.7384 179.1312 27 I 3.8070 7.9006 118.4937 64.0735 37.2079 178.5121 28 G 3.7098 8.1386 106.7388 47.8606 0.0000 175.1987 29 E 3.8972 8.2778 121.1853 59.2505 29.4539 179.3731 30 A 4.0908 8.3846 122.7198 55.8215 18.3443 180.5618 31 R 3.9354 7.8897 119.4740 61.4726 29.4292 183.6180 32 Q 4.1280 8.1241 118.7584 58.9794 28.8268 178.6857 33 L 3.9540 7.9527 120.6305 58.0328 42.0417 178.6438 34 L 4.0196 7.7068 120.6258 57.9104 41.9471 178.9983 35 S 4.2777 8.1878 114.4665 61.2584 63.0338 176.7117 36 G 3.5800 8.2841 109.4338 47.6736 0.0000 175.8138 37 I 3.8166 7.7456 122.1662 64.0376 36.9635 178.7167 38 V 3.6117 7.7060 119.2249 65.8107 31.3600 177.9773 39 Q 3.9192 8.3935 119.7201 59.2524 28.8784 177.6502 40 Q 3.9822 8.0983 120.5841 59.6725 28.9874 178.7185 41 Q 3.9926 7.9098 118.4290 58.6167 28.7354 178.0069 42 N 4.3643 7.9113 118.5182 56.4332 38.9225 176.8624 43 N 4.2981 8.2192 118.0379 56.4062 38.8585 177.3680 44 L 4.0106 8.1684 120.6276 57.7335 41.6007 179.4800 45 L 3.9991 7.9316 120.2769 58.1626 42.0720 179.2429 46 R 3.9315 8.0823 117.8946 58.8903 29.8818 178.9734 47 A 3.9838 8.0164 120.7964 55.2867 18.2209 179.6526 48 I 3.6738 7.4009 116.6994 64.5048 37.4059 178.2974 49 E 4.0352 8.4025 119.1454 59.4377 29.3364 179.0302 50 A 4.0906 8.0408 120.6011 55.6593 18.3486 179.7601 51 Q 3.9494 8.5444 116.6365 58.9507 28.6197 178.8262 52 Q 3.9294 8.0189 120.9523 59.3212 29.0717 177.8467 53 H 4.1891 7.9303 116.9219 58.5530 28.8062 177.2274 54 L 3.9768 8.1489 122.2697 58.3661 42.0514 179.0918 55 L 4.1490 8.1426 120.4119 57.3921 41.5696 179.6339 56 Q 4.0954 8.4119 118.2178 58.8788 28.5881 178.7141 57 L 4.1104 8.1142 120.4381 57.9824 41.7829 179.6195 58 T 4.0960 8.1722 109.8244 64.5989 68.8145 177.0857 59 V 3.9460 7.9780 121.2126 65.5121 31.5429 177.8877 60 W 4.2752 8.5148 128.3616 60.3005 30.7064 178.1107 61 G 3.8626 8.6438 105.8831 48.0695 0.0000 175.6417 62 I 3.7713 8.2342 122.6965 64.0871 37.3242 178.6109 63 K 4.1930 8.3476 119.3026 59.6392 31.8095 179.4409 64 Q 3.6841 7.7159 118.1327 58.9150 28.6214 178.8391 65 L 3.9274 7.6816 119.4338 57.5533 41.5132 179.7353 66 Q 3.6547 7.7975 118.2114 58.5306 28.5348 178.3613 67 A 3.8550 7.6550 121.3052 55.3337 18.4949 179.7916 68 R 3.7823 7.9316 116.5084 59.5344 30.1307 179.1876 69 I 3.7253 7.7204 118.2276 63.3943 37.9065 177.7424 70 L 3.7650 7.9053 121.2725 57.8994 41.9270 178.6535 71 A 3.8814 7.9772 120.7046 55.3268 18.4616 179.5278 72 V 3.5036 7.6547 116.8828 66.3268 31.2607 178.0751 73 E 3.9938 7.9640 116.1570 59.2020 29.6575 179.1847 74 R 4.0658 8.0212 121.5806 59.9755 29.9657 178.8424 *75 Y 4.0611 7.6756 119.1091 62.4283 36.8655 180.4123 76 L 4.3947 7.7889 121.0425 57.5440 42.2056 179.6052 77 K 4.5001 8.3032 129.4110 56.3081 31.9118 182.8538 *117 W 5.3611 8.5015 125.1735 59.1697 32.5045 176.7928 118 M 3.9697 8.3361 115.8792 58.7452 30.0058 178.0256 119 E 3.8489 8.1722 119.3943 58.9161 29.8925 178.2840 120 W 4.0156 7.7784 127.8186 60.7774 30.6015 177.6451 121 D 4.2391 7.8206 118.1487 57.1399 40.1948 178.7075 122 R 3.7992 7.8238 118.7834 59.3031 30.2059 178.6602 123 E 3.7796 8.3585 118.5088 59.7202 29.5098 179.8147 124 I 3.5481 7.4067 119.6453 64.1944 37.0433 178.2627 125 N 4.2820 7.8194 117.2633 56.3765 38.3614 177.0116 126 N 4.1848 8.3047 118.2257 56.5879 38.6443 176.9363 127 Y 4.2502 7.7900 117.8423 61.5813 37.8356 179.3253 128 T 3.8006 7.8852 116.5522 66.5162 68.6568 176.8004 129 S 4.1557 7.9813 117.0495 61.5369 62.8144 176.2429 130 L 3.9118 7.8257 122.7378 58.6149 41.9143 179.0942 131 I 3.6529 7.7680 119.3460 64.7751 36.9585 178.0779 132 H 4.4706 7.8515 117.0936 58.5841 28.4674 177.7745 133 S 4.1005 7.9383 116.9091 61.4703 62.6945 176.2393 134 L 3.9587 8.2912 121.7869 58.3750 41.4477 180.0732 135 I 3.7434 7.7054 118.9431 64.0544 37.0913 177.9766 136 E 4.0827 8.1003 120.1749 59.4641 29.4854 178.6788 137 E 3.9782 8.4791 118.8787 59.7266 29.6588 179.6964 138 S 4.2205 8.4124 115.1846 61.4698 62.5470 176.8806 139 Q 4.0278 7.8441 120.3899 58.7974 28.7830 177.9338 140 N 4.4462 8.2293 117.4472 56.6203 38.7054 177.2386 141 Q 3.9994 8.4583 119.6884 59.4317 28.7247 179.3797 142 Q 4.0224 7.9510 119.8051 58.8463 28.9562 178.0806 143 E 3.9488 8.2473 119.8893 59.3470 29.5316 178.9956 144 K 3.9001 8.0446 117.9312 59.7568 32.1913 178.5929 145 N 4.3219 8.1972 116.3050 56.8942 38.5242 177.3637 146 E 4.0218 8.0896 119.3788 59.0533 29.5326 179.1259 147 Q 3.9039 8.2579 119.9305 59.3442 29.2946 178.1067 148 E 4.0037 8.5688 120.0465 59.4076 29.2579 179.2125 149 L 4.0073 7.7382 119.4340 57.7788 42.3942 178.5212 150 L 4.1082 7.8638 120.6620 58.0979 41.5618 178.6512 151 E 4.0110 8.5803 118.9815 59.4503 29.1194 179.3424 152 L 4.0698 7.7117 118.3519 57.6222 41.6893 178.9446 153 D 4.5429 7.9503 120.4087 56.4973 39.3476 177.1418 154 K 4.1492 7.5746 125.1407 54.7905 31.6660 180.8139 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 Q 8.20 4.35 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 2 I 7.80 3.53 1.87 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 1.64 0.74 0.91 0.00 0.00 3 E 9.03 3.94 0.00 1.97 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 2.40 2.36 0.00 4 D 8.05 4.44 0.00 2.80 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 5 K 8.50 3.93 0.00 1.99 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 6 I 7.91 3.94 1.99 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 1.61 1.24 0.91 0.00 0.00 7 E 7.70 3.97 0.00 2.02 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 2.24 2.22 0.00 8 E 8.21 4.09 0.00 2.12 2.02 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 2.52 2.50 0.00 9 I 8.03 3.67 1.91 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 1.51 0.82 0.90 0.00 0.00 10 L 7.78 3.94 0.00 1.98 1.70 0.91 0.41 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 11 S 7.95 3.98 0.00 3.95 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 12 K 8.15 3.89 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 13 I 8.14 3.69 1.98 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 1.38 1.34 0.94 0.00 0.00 *14 Y 7.71 3.96 0.00 2.39 2.28 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 15 H 8.11 4.51 0.00 3.18 3.36 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.15 3.83 1.88 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 1.71 0.61 0.99 0.00 0.00 17 E 8.28 3.98 0.00 2.35 2.17 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 2.31 2.36 0.00 18 N 8.10 4.39 0.00 2.98 2.85 0.00 0.00 6.86 7.77 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 19 E 7.75 3.94 0.00 2.12 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 2.54 2.54 0.00 20 I 7.61 3.65 2.01 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 1.46 0.72 0.91 0.00 0.00 21 A 7.61 3.97 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 22 R 8.21 3.81 0.00 2.08 2.08 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 23 I 8.16 3.70 2.02 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 1.52 0.67 0.91 0.00 0.00 24 K 8.21 4.00 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 25 K 7.79 4.05 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 L 7.83 3.93 0.00 1.77 1.81 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.90 3.81 1.99 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 1.45 0.72 0.91 0.00 0.00 28 G 8.14 3.71 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 0.00 29 E 8.28 3.90 0.00 2.04 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 2.64 2.35 0.00 30 A 8.38 4.09 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 31 R 7.89 3.94 0.00 1.86 1.95 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 32 Q 8.12 4.13 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 33 L 7.95 3.95 0.00 1.75 1.67 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.71 4.02 0.00 2.01 1.69 0.92 1.19 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 35 S 8.19 4.28 0.00 4.12 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 36 G 8.28 3.58 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 0.00 0.00 0.00 37 I 7.75 3.82 2.01 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 1.45 0.91 0.00 0.00 38 V 7.71 3.61 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 0.99 0.00 0.00 0.95 0.00 0.00 39 Q 8.39 3.92 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 40 Q 8.10 3.98 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 41 Q 7.91 3.99 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 42 N 7.91 4.36 0.00 2.82 2.97 0.00 0.00 7.11 6.83 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 43 N 8.22 4.30 0.00 2.98 2.84 0.00 0.00 6.97 6.46 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 44 L 8.17 4.01 0.00 1.85 1.72 0.92 0.75 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 45 L 7.93 4.00 0.00 1.87 1.87 0.92 1.00 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 46 R 8.08 3.93 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 47 A 8.02 3.98 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 48 I 7.40 3.67 2.02 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 1.51 0.72 0.90 0.00 0.00 49 E 8.40 4.04 0.00 2.21 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 2.32 2.43 0.00 50 A 8.04 4.09 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 51 Q 8.54 3.95 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 52 Q 8.02 3.93 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 53 H 7.93 4.19 0.00 3.37 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 54 L 8.15 3.98 0.00 1.94 1.81 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.14 4.15 0.00 1.86 1.70 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.41 4.10 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 57 L 8.11 4.11 0.00 1.96 1.77 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.17 4.10 4.35 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 1.32 0.00 0.00 59 V 7.98 3.95 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 1.08 0.00 0.00 0.94 0.00 0.00 60 W 8.51 4.28 0.00 3.62 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 61 G 8.64 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 0.00 0.00 0.00 62 I 8.23 3.77 2.33 0.00 0.00 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 1.64 1.03 1.04 0.00 0.00 63 K 8.35 4.19 0.00 1.98 1.81 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.77 1.97 7.81 64 Q 7.72 3.68 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 65 L 7.68 3.93 0.00 1.77 1.63 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.80 3.65 0.00 2.17 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.40 2.09 0.00 67 A 7.65 3.85 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 68 R 7.93 3.78 0.00 1.79 1.94 0.00 3.09 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 69 I 7.72 3.73 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.76 0.00 0.00 70 L 7.91 3.76 0.00 1.72 1.75 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.98 3.88 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 72 V 7.65 3.50 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 1.00 0.00 0.00 0.93 0.00 0.00 73 E 7.96 3.99 0.00 2.13 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 2.50 2.30 0.00 74 R 8.02 4.07 0.00 2.05 1.99 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 *75 Y 7.68 4.06 0.00 2.41 2.24 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 76 L 7.79 4.39 0.00 1.79 1.74 0.90 0.78 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 77 K 8.30 4.50 0.00 1.81 1.24 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.30 7.81 *117 W 8.50 5.36 0.00 3.29 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 0.00 118 M 8.34 3.97 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 119 E 8.17 3.85 0.00 2.11 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 2.39 2.44 0.00 120 W 7.78 4.02 0.00 2.88 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 0.00 121 D 7.82 4.24 0.00 2.89 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 0.00 122 R 7.82 3.80 0.00 1.98 1.89 0.00 3.29 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 123 E 8.36 3.78 0.00 1.88 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 2.27 2.30 0.00 124 I 7.41 3.55 1.32 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.16 0.59 0.00 0.00 125 N 7.82 4.28 0.00 2.98 2.80 0.00 0.00 7.02 6.84 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 0.00 126 N 8.30 4.18 0.00 2.49 2.49 0.00 0.00 7.04 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 0.00 127 Y 7.79 4.25 0.00 3.05 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 0.00 128 T 7.89 3.80 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 129 S 7.98 4.16 0.00 4.03 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 0.00 130 L 7.83 3.91 0.00 1.75 1.90 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.77 3.65 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.86 0.00 0.00 132 H 7.85 4.47 0.00 3.34 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 7.94 4.10 0.00 4.09 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 0.00 134 L 8.29 3.96 0.00 1.71 1.75 0.92 1.05 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 0.00 135 I 7.71 3.74 1.94 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 1.05 0.92 0.00 0.00 136 E 8.10 4.08 0.00 2.25 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 2.31 2.35 0.00 137 E 8.48 3.98 0.00 2.16 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 0.00 2.33 2.36 0.00 138 S 8.41 4.22 0.00 4.00 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 0.00 139 Q 7.84 4.03 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 140 N 8.23 4.45 0.00 2.91 2.86 0.00 0.00 7.01 7.06 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 0.00 141 Q 8.46 4.00 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 142 Q 7.95 4.02 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 143 E 8.25 3.95 0.00 2.23 1.97 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 2.33 2.47 0.00 144 K 8.04 3.90 0.00 1.93 1.85 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.68 7.81 145 N 8.20 4.32 0.00 2.83 2.89 0.00 0.00 7.17 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 0.00 146 E 8.09 4.02 0.00 2.15 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 0.00 2.33 2.53 0.00 147 Q 8.26 3.90 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 148 E 8.57 4.00 0.00 2.01 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 2.33 2.32 0.00 149 L 7.74 4.01 0.00 1.71 1.89 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.86 4.11 0.00 1.99 1.84 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.58 4.01 0.00 2.11 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 0.00 2.59 2.50 0.00 152 L 7.71 4.07 0.00 1.85 1.74 0.92 1.03 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 0.00 153 D 7.95 4.54 0.00 2.81 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 0.00 154 K 7.57 4.15 0.00 1.83 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.