NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.9392 8.3501 109.7416 45.2692 0.0000 173.5933 9 A 3.8530 8.6614 130.5274 52.6283 18.7942 171.7608 10 V 4.0196 7.6691 114.7098 60.7651 34.4626 174.0384 11 D 4.5435 8.1656 127.0948 53.3991 40.3724 176.6946 12 F 4.2045 8.3976 125.2158 59.3573 39.1336 176.9589 13 A 4.1525 7.9755 120.0472 55.1769 18.0725 178.9013 14 Y 3.9436 8.1481 117.9910 60.8651 38.9494 178.2105 15 L 4.0044 8.0340 120.7254 58.2603 42.2239 178.5670 16 E 4.0933 8.8769 119.2163 59.2097 29.2856 179.5861 17 G 3.4974 8.5089 106.3094 47.7556 0.0000 175.2617 18 F 3.7648 8.0391 122.1181 60.8729 39.5795 176.2935 19 A 4.2125 8.2175 117.6855 51.2620 18.4114 177.0430 20 A 3.7151 8.9150 119.3859 52.8958 16.7747 178.5754 21 G 3.6439 8.3737 107.2178 47.0919 0.0000 174.3790 22 D 4.4565 7.6420 120.2563 52.9884 42.1445 176.8728 23 F 4.3307 8.5557 126.0358 59.9693 39.0203 177.4023 24 A 4.0694 8.5139 121.2751 55.0390 18.0865 179.8333 25 V 3.6060 7.7070 116.4260 65.8729 31.6625 178.0820 26 V 3.6550 7.7242 117.8892 66.3697 31.3980 177.6808 27 D 4.4679 8.4678 118.5255 57.3377 40.5938 178.4117 28 E 3.9701 8.2521 119.7346 59.4539 29.6165 179.1579 29 V 3.6218 8.0742 118.2928 65.9179 31.6057 177.8829 30 L 4.0153 8.2837 118.7598 57.8758 41.5020 179.4224 31 A 4.1018 8.2344 120.6422 55.1121 18.2224 179.6831 32 L 3.9972 8.2856 117.7749 57.8955 41.6357 179.5338 33 F 4.0113 8.5851 120.8393 61.3707 39.2635 177.4570 34 R 4.0388 8.3848 117.7536 59.1612 29.8202 178.9821 35 E 3.9435 8.2902 118.4892 59.4848 29.4285 179.3293 36 Q 4.0684 8.2711 118.0271 58.8959 28.6846 178.7191 37 A 3.8300 8.0187 121.8784 55.1750 18.1857 179.4847 38 A 3.8955 7.9488 118.1854 55.0825 18.4332 179.4765 39 L 3.8206 7.6463 117.9501 58.0168 42.3323 178.6522 40 W 4.4857 8.1211 116.4787 58.3216 29.5538 178.2023 41 A 4.2341 8.1630 120.7064 54.2878 18.2331 178.0164 42 P 4.3533 0.0000 0.0000 62.1506 30.9219 177.2557 *44 L 4.3094 7.6142 115.0567 54.0790 42.5767 176.2253 45 D 4.6328 7.5748 118.5916 52.0136 44.6365 174.0978 46 P 3.6742 0.0000 0.0000 65.1377 31.3239 176.8952 47 T 4.2793 8.3880 108.1403 61.6625 69.3290 173.6857 48 H 4.7852 8.4305 124.2220 54.0055 30.4856 173.4381 49 P 4.3974 0.0000 0.0000 65.5937 31.4205 178.3454 50 G 3.8615 8.5734 104.0609 45.8973 0.0000 175.1784 51 W 4.4020 8.3779 119.9448 59.7160 27.9810 178.3027 52 K 3.2388 6.6340 119.7502 58.9581 31.6010 178.4395 53 D 4.1860 7.7953 118.4921 57.0469 40.7484 178.3561 54 A 3.8345 8.4360 121.7162 55.1875 18.4249 179.8112 55 V 3.5347 8.0809 116.9472 66.3734 31.6829 177.5771 56 H 4.0948 8.0271 117.8912 59.6440 29.6787 177.4186 57 T 3.4573 7.4907 117.3405 66.3986 68.1071 176.9343 58 V 3.4326 7.7671 120.5824 65.7177 31.4537 177.8751 59 K 3.9437 8.1344 119.5387 59.6090 32.0562 179.0908 60 G 3.4963 7.7832 105.2051 47.5044 0.0000 175.6254 61 A 4.0018 8.0854 122.9140 54.7724 18.3499 179.4848 62 A 3.8719 8.4895 119.7065 55.6221 18.3250 180.2520 63 R 3.7532 7.7745 114.8395 58.8629 30.1080 179.2629 64 G 3.6561 7.7205 105.3397 46.9107 0.0000 175.2559 65 V 4.0651 7.2355 111.2656 60.5022 32.2894 176.7465 66 G 2.6934 7.1718 107.3932 45.0336 0.0000 173.9211 67 A 4.2211 6.8989 125.2252 49.9837 15.2939 178.5083 68 F 4.1638 7.1409 124.2866 59.6480 39.5765 176.9270 69 N 4.2868 8.1082 116.3419 56.5688 38.7318 176.3807 70 L 4.0116 7.9131 121.3252 58.1136 42.2232 178.8098 71 G 3.7064 8.0194 105.5840 48.0212 0.0000 175.3909 72 E 3.9851 8.3275 121.0795 59.1046 29.4285 179.5755 73 V 3.5830 8.0532 118.4769 66.2336 31.5680 177.8322 74 C 4.1376 8.3236 116.5598 62.8130 28.0388 175.6661 75 E 4.1400 8.2876 120.8439 59.4803 29.2237 179.1576 76 R 4.1265 8.2885 118.2864 59.2440 30.0152 178.5511 77 C 4.6381 8.2260 120.1438 62.1823 31.3849 175.5642 78 E 4.0785 8.2345 118.6794 58.8978 29.0748 178.1947 79 A 4.4677 7.6430 118.0316 51.4394 18.8702 177.7965 80 G 3.8802 7.9810 105.6221 46.5536 0.0000 174.8504 81 Q 4.4404 8.5073 117.3821 55.8180 29.6235 175.5147 82 E 4.7101 7.5549 117.0988 53.6955 33.9492 174.8419 83 S 4.7575 8.2618 116.4999 57.4215 65.9153 175.3199 84 L 3.9817 8.1300 121.8480 57.8122 41.1995 179.3118 85 E 3.9994 8.2121 119.1156 59.2307 29.5625 178.9980 86 G 3.5638 8.0943 105.8234 47.5977 0.0000 175.8663 87 V 3.6133 7.7405 120.4012 65.9063 31.5110 178.2773 88 R 3.9472 8.2751 118.3091 59.6212 29.9758 179.1960 89 T 4.1251 8.2776 109.3524 64.4944 68.8887 176.7131 90 A 3.9976 8.0937 123.8770 54.8508 18.3079 179.3775 91 L 3.9751 8.2908 119.1913 58.2820 42.1099 178.7077 92 D 4.3976 8.5131 119.1020 57.6096 40.9487 178.8799 93 A 3.9838 8.0364 120.7102 55.0218 18.2470 179.6121 94 A 3.8919 8.0598 119.3942 55.2586 18.3945 179.8920 95 L 4.0437 8.4596 118.0297 57.6506 41.6693 179.3898 96 L 3.9884 8.2441 120.6116 58.3341 42.0292 178.8976 97 D 4.4779 8.0532 118.2944 57.5554 40.8412 178.8722 98 I 3.9653 8.1905 120.3008 64.4535 37.1292 178.3927 99 A 4.0748 8.5179 121.7831 55.1754 18.1206 179.5879 100 A 4.0133 8.1455 119.3218 55.3017 18.4119 179.2900 101 Y 3.6519 8.2753 118.0081 60.6422 38.9243 177.9782 102 A 4.0662 8.2346 121.7924 55.4434 18.4228 179.0523 103 H 4.1593 8.4127 116.6980 59.5310 29.8858 177.2366 104 E 3.7732 8.3139 120.5546 59.4705 29.2106 179.3802 105 Q 3.6794 7.8077 117.7231 58.8689 28.8813 178.8513 106 A 3.9584 7.7868 121.2748 55.0941 18.4210 179.7124 107 L 3.9502 8.1750 120.1881 58.3709 41.4005 180.5981 108 R 3.8610 7.8428 120.1556 61.4655 29.4625 180.8898 109 S 4.3851 7.8378 114.0874 61.0090 62.8245 176.1971 110 L 4.0490 7.5397 122.9053 57.3955 42.0234 177.2033 111 K 4.2784 7.8424 121.5081 56.4428 32.3899 176.1609 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 8 G 8.35 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 0.00 0.00 0.00 9 A 8.66 3.85 1.30 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 0.00 0.00 10 V 7.67 4.02 1.02 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 -0.25 0.00 0.00 0.54 0.00 0.00 11 D 8.17 4.54 0.00 2.80 2.59 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 0.00 0.00 0.00 0.00 12 F 8.40 4.20 0.00 3.24 3.09 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 13 A 7.98 4.15 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.15 3.94 0.00 3.18 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 15 L 8.03 4.00 0.00 1.95 1.82 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.88 4.09 0.00 2.28 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 2.55 2.63 0.00 17 G 8.51 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.04 3.76 0.00 2.92 3.27 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 19 A 8.22 4.21 1.35 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 0.00 0.00 20 A 8.92 3.72 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 21 G 8.37 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.64 4.46 0.00 2.63 2.54 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 23 F 8.56 4.33 0.00 3.21 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 24 A 8.51 4.07 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 V 7.71 3.61 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 1.21 0.00 0.00 0.94 0.00 0.00 26 V 7.72 3.65 2.48 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 1.25 0.00 0.00 0.98 0.00 0.00 27 D 8.47 4.47 0.00 2.98 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 E 8.25 3.97 0.00 2.22 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 0.00 2.37 2.37 0.00 29 V 8.07 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 0.95 0.00 0.00 1.04 0.00 0.00 30 L 8.28 4.02 0.00 1.94 1.79 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.23 4.10 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 32 L 8.29 4.00 0.00 1.94 1.78 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.59 4.01 0.00 3.11 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 34 R 8.38 4.04 0.00 2.12 2.03 0.00 3.29 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 35 E 8.29 3.94 0.00 2.25 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 2.34 2.52 0.00 36 Q 8.27 4.07 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 37 A 8.02 3.83 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 38 A 7.95 3.90 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 39 L 7.65 3.82 0.00 1.50 1.70 0.56 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.12 4.49 0.00 3.32 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 41 A 8.16 4.23 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 42 P 0.00 4.35 0.00 2.03 2.09 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 *44 L 7.61 4.31 0.00 1.81 1.75 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.57 4.63 0.00 2.66 2.54 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 46 P 0.00 3.67 0.00 2.02 1.78 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 47 T 8.39 4.28 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 48 H 8.43 4.79 0.00 3.24 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.40 0.00 2.12 2.17 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 50 G 8.57 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 51 W 8.38 4.40 0.00 3.66 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 52 K 6.63 3.24 0.00 0.79 1.12 0.00 1.32 0.00 0.00 1.11 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.07 1.23 7.81 53 D 7.80 4.19 0.00 2.97 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 54 A 8.44 3.83 1.66 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 55 V 8.08 3.53 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 1.05 0.00 0.00 1.23 0.00 0.00 56 H 8.03 4.09 0.00 3.19 3.29 0.00 5.83 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 57 T 7.49 3.46 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 0.33 0.00 0.00 58 V 7.77 3.43 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 0.99 0.00 0.00 0.94 0.00 0.00 59 K 8.13 3.94 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.59 7.81 60 G 7.78 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.09 4.00 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 62 A 8.49 3.87 1.42 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 0.00 0.00 0.00 63 R 7.77 3.75 0.00 1.79 2.06 0.00 3.16 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 64 G 7.72 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 65 V 7.24 4.07 1.74 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 0.71 0.00 0.00 0.22 0.00 0.00 66 G 7.17 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 6.90 4.22 0.91 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 0.00 0.00 68 F 7.14 4.16 0.00 3.00 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 69 N 8.11 4.29 0.00 2.83 2.78 0.00 0.00 6.83 6.66 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 70 L 7.91 4.01 0.00 1.77 1.77 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.02 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 72 E 8.33 3.99 0.00 2.29 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 2.33 2.19 0.00 73 V 8.05 3.58 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 1.15 0.00 0.00 1.00 0.00 0.00 74 C 8.32 4.14 0.00 3.19 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 75 E 8.29 4.14 0.00 2.17 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 2.31 2.36 0.00 76 R 8.29 4.13 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 77 C 8.23 4.64 0.00 3.08 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 78 E 8.23 4.08 0.00 2.24 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 2.39 2.52 0.00 79 A 7.64 4.47 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 80 G 7.98 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 81 Q 8.51 4.44 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 82 E 7.55 4.71 0.00 2.02 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 2.23 0.00 83 S 8.26 4.76 0.00 3.97 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 84 L 8.13 3.98 0.00 1.57 1.71 0.45 0.85 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 85 E 8.21 4.00 0.00 2.00 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 2.37 2.37 0.00 86 G 8.09 3.56 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 0.00 0.00 0.00 87 V 7.74 3.61 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 1.15 0.00 0.00 0.96 0.00 0.00 88 R 8.28 3.95 0.00 2.04 1.98 0.00 3.19 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 89 T 8.28 4.13 4.25 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 1.25 0.00 0.00 90 A 8.09 4.00 1.42 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 0.00 0.00 0.00 91 L 8.29 3.98 0.00 1.89 1.90 1.05 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.51 4.40 0.00 2.94 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 93 A 8.04 3.98 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 94 A 8.06 3.89 1.30 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 0.00 0.00 95 L 8.46 4.04 0.00 1.87 1.82 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.24 3.99 0.00 1.86 1.92 0.95 1.51 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 97 D 8.05 4.48 0.00 3.16 2.92 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 98 I 8.19 3.97 2.02 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 1.02 0.00 0.00 99 A 8.52 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.28 3.65 0.00 2.45 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 0.00 102 A 8.23 4.07 1.48 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 0.00 0.00 103 H 8.41 4.16 0.00 3.33 3.47 0.00 5.62 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 0.00 104 E 8.31 3.77 0.00 1.97 1.71 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 2.20 2.31 0.00 105 Q 7.81 3.68 0.00 2.12 2.00 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 2.08 2.44 0.00 106 A 7.79 3.96 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.18 3.95 0.00 1.68 1.62 0.66 0.92 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 0.00 108 R 7.84 3.86 0.00 1.90 1.85 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 109 S 7.84 4.39 0.00 3.98 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 0.00 110 L 7.54 4.05 0.00 1.65 1.88 0.90 0.45 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 0.00 111 K 7.84 4.28 0.00 1.73 1.65 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.