NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2200 8.1227 123.5791 51.3587 20.8573 175.5696 7 V 4.2421 7.3844 114.0259 59.8316 32.4255 173.9893 8 T 4.4401 8.6751 117.3821 61.7910 71.2657 173.7373 9 G 4.1200 7.3018 107.4738 45.7840 0.0000 172.6305 10 V 5.2196 8.3822 112.7093 59.4359 35.6969 175.3573 11 A 4.6487 8.7144 124.5768 50.5840 22.5780 174.9646 12 L 4.9105 8.6238 124.6948 53.8861 44.1088 175.2330 13 D 4.7746 8.8908 124.0704 52.4755 44.2318 175.2003 14 L 5.0382 8.7135 123.9180 54.6184 43.4231 176.5762 15 D 4.8008 8.5285 117.7082 54.6658 41.7960 175.6168 16 H 5.5370 8.1587 115.1124 54.0058 32.2293 173.5280 17 A 4.7019 9.0084 121.9320 50.2864 22.5774 175.3180 18 Q 4.4613 9.0164 124.5098 55.9406 30.9721 174.9573 19 I 4.7119 8.7125 127.3220 59.2874 39.4553 175.3809 20 G 3.8604 8.8194 115.4174 46.1415 0.0000 171.6686 21 L 5.2823 8.5283 121.2374 53.0977 44.2978 175.2274 22 I 4.3821 8.8958 117.7579 60.1147 40.1456 177.0126 23 G 4.0255 8.9923 111.8366 45.2661 0.0000 173.4184 24 I 5.1515 7.7220 113.1272 58.7656 39.3897 173.6860 25 P 4.6231 0.0000 0.0000 62.8835 32.4372 176.1976 26 D 4.7245 8.5661 122.2783 53.1320 39.5292 174.3510 27 Q 4.5455 8.0760 122.5771 53.0319 32.6702 171.7879 28 P 4.0922 0.0000 0.0000 63.3642 31.8543 175.9719 29 G 3.9307 8.8579 110.1378 47.2589 0.0000 175.6558 30 I 4.0161 7.3795 122.5849 63.2975 37.3564 177.6808 31 A 4.1443 8.0405 121.0239 55.0336 18.2668 179.0235 32 A 3.9756 8.1117 118.7645 55.6495 18.4345 179.8240 33 K 3.9777 7.7315 115.1979 59.5212 31.9689 179.8133 34 V 3.5300 7.6923 118.1813 66.2217 31.3111 178.2252 35 F 3.9065 8.5092 116.3900 60.0546 38.9913 177.3496 36 Q 4.1091 8.8268 119.7423 59.1493 27.7873 178.0254 37 A 4.0210 7.9758 121.7505 55.1863 18.3522 179.2172 38 L 4.1101 7.6521 116.2351 56.4996 41.7726 178.9823 39 A 4.1211 7.7761 121.2284 54.3848 18.9202 179.2911 40 E 3.9877 8.1977 115.3335 58.9111 29.7184 178.0119 41 R 4.2917 7.3955 113.0177 55.3695 31.0434 176.1082 42 G 3.7892 7.7470 105.7102 46.7183 0.0000 173.6835 43 I 4.1121 8.2764 118.9509 59.0165 39.2180 175.7007 44 A 4.5990 8.1728 126.6261 50.1879 20.4593 176.2263 45 V 4.4025 8.5669 122.7388 60.1856 32.8945 175.5242 46 D 4.7610 8.8044 122.5503 54.0794 41.1612 176.4314 47 M 4.8934 7.9037 118.5258 53.1637 35.3939 174.7846 48 I 5.3462 8.5517 123.1146 59.2811 41.3716 174.0222 49 I 4.9228 9.5175 121.5454 59.6807 41.5164 173.6571 50 Q 5.0244 8.4602 120.2936 54.1583 33.0737 174.9150 51 G 4.2836 8.6932 107.9545 46.2071 0.0000 174.1997 52 V 3.9052 8.4725 122.4669 64.8275 32.2075 176.1731 *57 P 4.3176 0.0000 0.0000 60.8023 33.0999 179.8750 58 S 3.2317 7.9394 113.6124 61.8774 60.9095 178.1633 59 R 3.5459 7.5840 111.1422 57.5067 25.9409 171.1550 60 Q 4.7853 8.6684 129.3288 54.0036 32.1613 173.9737 61 Q 5.1845 8.2414 117.7004 54.9007 32.0711 173.5181 62 M 5.4524 9.0657 118.8962 53.5594 35.2350 173.9868 63 A 4.9629 9.2155 121.8935 50.2560 23.0434 175.0654 64 F 5.5068 7.8481 115.6217 55.5331 41.9088 173.3245 65 T 5.3084 8.6679 108.5815 60.3095 71.9413 173.4200 66 V 4.5790 8.4185 119.8888 60.2181 35.4567 173.2298 67 K 4.1902 8.8796 121.6846 57.3218 32.8193 177.5429 68 K 3.8582 9.6197 125.7493 60.0993 31.8909 179.1323 69 D 4.3225 8.0628 116.7064 57.2743 40.9861 177.9821 70 F 4.4310 8.1662 115.1085 57.8596 38.9769 177.4989 71 A 4.0624 7.8403 122.4536 55.2113 18.2387 179.8223 72 Q 3.8975 7.9821 117.6783 59.3047 29.2838 177.7549 73 E 4.0363 8.2211 119.7034 59.0590 29.6116 178.4808 74 A 4.0037 7.8981 120.8763 55.0156 18.2773 179.3067 75 L 3.8891 8.0598 117.9105 58.3437 42.0557 178.4025 76 E 4.0558 8.7689 119.3260 59.3828 29.3484 178.7031 77 A 4.0475 8.1932 120.0005 54.8137 18.7286 179.0053 78 L 4.2215 7.8422 116.5782 56.5038 41.8920 178.6050 79 E 3.9399 7.8079 119.7721 58.9879 29.3875 177.1833 80 P 4.2949 0.0000 0.0000 65.6953 31.3032 178.6807 81 V 3.5571 7.6961 117.6280 65.7605 31.6244 177.4947 82 L 3.9163 8.5401 120.2376 58.0845 41.5997 178.7466 83 A 3.9855 7.7811 119.8848 55.1175 18.3982 179.0371 84 E 4.0108 7.7581 116.3672 59.5459 29.9586 178.7928 85 I 4.0291 7.9257 111.9997 60.6437 38.2873 174.4780 86 G 3.8563 7.6677 113.7021 44.4991 0.0000 172.8378 87 G 4.5683 7.4300 113.5909 44.5622 0.0000 171.0049 88 E 4.8181 9.1426 120.3663 54.2923 32.8935 175.6221 89 A 5.0570 8.5569 124.5747 50.9454 21.2596 176.4317 90 I 4.5629 8.3815 119.4048 59.3375 41.5452 174.3724 91 L 4.8244 8.6307 128.0423 53.5502 44.0911 175.8472 92 R 4.6063 9.1604 128.6414 53.5743 30.0086 173.9918 93 P 4.2771 0.0000 0.0000 64.8970 32.6331 177.6450 94 D 4.8754 7.8829 121.1809 53.0710 39.0063 174.7711 95 I 5.2719 7.4455 112.2279 58.9535 41.4070 175.7704 96 A 5.0021 9.0826 126.8301 50.0675 22.2273 174.8753 97 K 4.8668 8.9259 123.0833 54.9231 34.3390 175.1364 98 V 4.7771 9.1621 128.1945 61.3797 33.7026 174.3836 99 S 5.3354 8.8290 123.8601 56.7013 66.2064 173.4229 100 I 4.8123 8.5901 117.5365 59.3907 40.4224 174.5573 101 V 4.6550 8.8179 121.9355 59.3245 35.1229 175.6049 102 G 4.3602 7.8015 109.3740 45.6659 0.0000 171.6674 103 V 4.4345 7.6250 121.8224 61.2502 34.6703 174.9208 104 G 4.0639 8.6797 110.5963 46.3272 0.0000 173.8187 105 L 4.2571 7.9374 120.2885 56.6192 43.0887 179.7633 106 A 3.9844 7.4819 119.1259 55.1163 18.2326 178.4528 107 S 4.4777 7.7366 106.8609 58.9995 63.7369 175.0509 108 T 4.4194 7.1749 119.8778 61.0964 67.2561 173.0884 109 P 4.4012 0.0000 0.0000 64.9136 32.0152 178.5016 110 E 3.9961 8.0790 117.2476 58.3488 29.3223 178.9285 111 V 3.7088 8.0506 119.7935 65.5340 31.7625 176.2857 112 P 3.9245 0.0000 0.0000 65.1017 31.1653 178.1552 113 A 3.8168 7.2263 121.2031 55.0158 18.2863 179.7404 114 K 3.8485 7.7614 116.6637 59.4420 31.9632 179.3776 115 M 4.0713 7.7046 118.2195 58.8394 32.2701 178.3966 116 F 4.5340 7.7920 117.9769 60.7026 38.8678 177.5063 117 Q 4.2280 8.1340 117.9898 58.5368 28.8843 177.8456 118 A 4.3154 7.7695 123.1524 53.9886 18.6095 179.4117 119 V 3.5550 8.1936 116.9806 66.3403 31.4502 178.1111 120 A 4.0552 8.6585 120.9148 54.7496 17.7784 179.6168 121 S 4.1282 7.8556 113.1427 61.1281 62.8422 176.0095 122 T 4.3463 7.5202 111.1114 61.6481 69.0734 174.7105 123 G 3.6843 8.1449 109.8948 46.6329 0.0000 173.4181 124 A 3.1321 6.9286 120.9173 50.0094 20.0915 177.6858 125 N 4.5546 7.9369 119.7912 51.4550 39.0503 174.9560 126 I 3.8507 8.1537 127.3038 62.0309 37.5212 175.7613 127 E 4.5693 8.6352 124.4175 57.1435 31.7503 176.3775 128 M 4.9344 7.7590 117.1092 53.5944 36.7357 174.4108 129 I 5.1071 8.3238 120.9323 59.5786 41.5023 174.6788 130 A 4.8515 8.8392 126.3910 50.4240 22.4398 175.0120 131 T 5.0630 8.7153 112.4148 60.0988 71.6898 173.3545 132 S 4.9537 9.3005 122.3195 56.2398 65.9996 174.0652 133 E 4.2080 8.6859 117.9897 58.3699 29.7420 178.8265 134 V 4.3405 7.7028 116.6385 60.6434 33.3877 175.0159 135 R 4.4733 8.7639 121.8377 54.3232 32.7065 174.5654 136 I 4.8652 8.3837 127.9887 59.6247 39.9118 174.6028 137 S 5.2264 9.1241 122.2926 56.5089 65.9187 173.5592 138 V 4.9835 9.3115 117.7465 59.4905 34.6288 174.7724 139 I 5.0824 8.0885 116.8150 59.6787 40.2827 174.4589 140 I 4.9343 8.4037 116.2197 58.6346 41.7361 172.3467 141 P 4.5763 0.0000 0.0000 63.5315 31.6168 176.6689 142 A 4.0105 8.9269 126.4828 55.4532 18.0717 179.2123 143 E 3.9659 8.0640 114.1914 59.9719 29.8567 178.7008 144 Y 4.3231 7.9013 114.6197 58.5513 37.6537 177.1967 145 A 3.9597 9.0407 123.1619 56.1758 18.2685 179.6235 146 E 3.9131 8.1615 113.6485 59.3324 30.0735 179.7319 147 A 4.1077 8.0614 119.6945 54.7051 18.4437 179.3688 148 A 3.9556 8.3111 119.8944 55.3735 18.5760 179.4572 149 L 4.1297 8.1894 121.0043 59.0527 41.8921 180.3065 150 R 3.9969 8.1987 120.4705 61.3029 29.1649 182.1183 151 A 4.2721 7.7039 120.2091 54.8087 18.6577 179.5440 152 V 3.6938 8.4677 117.5485 66.2995 31.6416 177.5011 153 H 4.0643 8.3846 119.9815 60.2803 29.6818 177.2402 154 Q 4.3183 7.8606 118.7090 58.2906 28.1642 178.5097 155 A 4.6439 8.2655 119.6513 52.8870 19.7993 177.0648 156 F 4.6712 7.9256 114.5465 58.3868 41.5739 175.2632 157 E 4.2372 8.2556 123.5062 56.5583 29.3021 176.1983 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 6 A 8.12 4.22 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 7 V 7.38 4.24 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 0.31 0.00 0.00 0.34 0.00 0.00 8 T 8.68 4.44 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 1.17 0.00 0.00 9 G 7.30 4.12 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 0.00 10 V 8.38 5.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.99 0.00 0.00 11 A 8.71 4.65 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 12 L 8.62 4.91 0.00 1.70 1.59 1.00 1.18 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 13 D 8.89 4.77 0.00 2.85 2.49 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 14 L 8.71 5.04 0.00 1.54 1.63 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.53 4.80 0.00 2.67 2.64 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 16 H 8.16 5.54 0.00 3.02 3.23 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.01 4.70 1.20 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 0.00 0.00 18 Q 9.02 4.46 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 19 I 8.71 4.71 1.34 0.00 0.00 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 1.10 1.07 0.68 0.00 0.00 20 G 8.82 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 21 L 8.53 5.28 0.00 1.87 1.56 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.90 4.38 1.86 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 1.15 0.87 0.88 0.00 0.00 23 G 8.99 4.03 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 0.00 0.00 0.00 24 I 7.72 5.15 1.90 0.00 0.00 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 1.08 0.90 0.94 0.00 0.00 25 P 0.00 4.62 0.00 2.11 2.10 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 26 D 8.57 4.72 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 27 Q 8.08 4.55 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 28 P 0.00 4.09 0.00 2.09 1.98 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 29 G 8.86 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 30 I 7.38 4.02 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.96 0.00 0.00 31 A 8.04 4.14 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 32 A 8.11 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 33 K 7.73 3.98 0.00 1.89 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.71 7.81 34 V 7.69 3.53 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 0.77 0.00 0.00 1.03 0.00 0.00 35 F 8.51 3.91 0.00 3.00 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 36 Q 8.83 4.11 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 37 A 7.98 4.02 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 38 L 7.65 4.11 0.00 1.62 1.57 -0.01 0.67 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 39 A 7.78 4.12 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 40 E 8.20 3.99 0.00 1.98 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 2.32 2.50 0.00 41 R 7.40 4.29 0.00 1.80 2.14 0.00 3.77 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 42 G 7.75 3.79 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 0.00 0.00 0.00 43 I 8.28 4.11 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.90 0.00 0.00 44 A 8.17 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.57 4.40 1.91 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 0.87 0.00 0.00 1.00 0.00 0.00 46 D 8.80 4.76 0.00 2.80 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 47 M 7.90 4.89 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 48 I 8.55 5.35 2.11 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 1.62 0.91 1.01 0.00 0.00 49 I 9.52 4.92 1.89 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 1.34 1.20 0.93 0.00 0.00 50 Q 8.46 5.02 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 51 G 8.69 4.28 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 0.00 0.00 0.00 52 V 8.47 3.91 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 0.80 0.00 0.00 0.93 0.00 0.00 *57 P 0.00 4.32 0.00 2.16 1.99 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 58 S 7.94 3.23 0.00 3.74 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 59 R 7.58 3.55 0.00 1.90 2.12 0.00 3.22 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.20 0.00 60 Q 8.67 4.79 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 61 Q 8.24 5.18 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 62 M 9.07 5.45 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 63 A 9.22 4.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.85 5.51 0.00 3.13 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 65 T 8.67 5.31 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 1.23 0.00 0.00 66 V 8.42 4.58 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 0.91 0.00 0.00 1.05 0.00 0.00 67 K 8.88 4.19 0.00 1.93 1.93 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.48 7.81 68 K 9.62 3.86 0.00 1.76 1.90 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.49 1.54 7.81 69 D 8.06 4.32 0.00 2.54 2.41 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 70 F 8.17 4.43 0.00 3.15 3.07 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 0.00 0.00 0.00 71 A 7.84 4.06 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 72 Q 7.98 3.90 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 73 E 8.22 4.04 0.00 2.09 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 2.41 2.40 0.00 74 A 7.90 4.00 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 75 L 8.06 3.89 0.00 1.80 1.93 0.91 0.84 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 76 E 8.77 4.06 0.00 2.13 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 0.00 2.32 2.34 0.00 77 A 8.19 4.05 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 78 L 7.84 4.22 0.00 1.72 1.77 1.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.81 3.94 0.00 2.05 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 2.32 2.35 0.00 80 P 0.00 4.29 0.00 2.31 2.30 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 81 V 7.70 3.56 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 1.13 0.00 0.00 0.94 0.00 0.00 82 L 8.54 3.92 0.00 1.97 1.67 0.94 0.97 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 83 A 7.78 3.99 1.40 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 0.00 0.00 84 E 7.76 4.01 0.00 1.96 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 0.00 2.33 2.32 0.00 85 I 7.93 4.03 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.93 0.00 0.00 86 G 7.67 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 87 G 7.43 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.82 0.00 1.82 1.79 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 2.20 2.26 0.00 89 A 8.56 5.06 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 90 I 8.38 4.56 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.06 0.87 0.00 0.00 91 L 8.63 4.82 0.00 1.58 1.52 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 92 R 9.16 4.61 0.00 1.80 1.73 0.00 3.14 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 93 P 0.00 4.28 0.00 2.22 2.17 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 94 D 7.88 4.88 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 5.27 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.96 0.00 0.00 96 A 9.08 5.00 1.28 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 0.00 0.00 97 K 8.93 4.87 0.00 1.84 1.70 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.36 7.81 98 V 9.16 4.78 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 0.98 0.00 0.00 0.99 0.00 0.00 99 S 8.83 5.34 0.00 3.82 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 0.00 100 I 8.59 4.81 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 0.87 0.00 0.00 101 V 8.82 4.65 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 1.03 0.00 0.00 0.90 0.00 0.00 102 G 7.80 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 0.00 0.00 0.00 0.00 103 V 7.63 4.43 2.06 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 0.72 0.00 0.00 0.91 0.00 0.00 104 G 8.68 4.06 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 0.00 0.00 0.00 105 L 7.94 4.26 0.00 1.81 1.66 0.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.48 3.98 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 0.00 107 S 7.74 4.48 0.00 4.00 4.15 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 0.00 0.00 0.00 108 T 7.17 4.42 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 0.00 109 P 0.00 4.40 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 110 E 8.08 4.00 0.00 1.97 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 2.38 2.29 0.00 111 V 8.05 3.71 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 1.04 0.00 0.00 1.01 0.00 0.00 112 P 0.00 3.92 0.00 1.75 2.08 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 113 A 7.23 3.82 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 0.00 114 K 7.76 3.85 0.00 1.88 1.43 0.00 1.35 0.00 0.00 1.20 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.30 7.81 115 M 7.70 4.07 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.78 0.00 116 F 7.79 4.53 0.00 3.09 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 0.00 117 Q 8.13 4.23 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 118 A 7.77 4.32 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 0.00 119 V 8.19 3.55 2.29 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 0.99 0.00 0.00 1.07 0.00 0.00 120 A 8.66 4.06 1.40 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 0.00 0.00 121 S 7.86 4.13 0.00 4.02 4.23 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 0.00 122 T 7.52 4.35 4.40 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 1.32 0.00 0.00 123 G 8.14 3.68 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 0.00 124 A 6.93 3.13 0.88 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 0.00 125 N 7.94 4.55 0.00 2.56 2.68 0.00 0.00 7.06 7.94 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 0.00 126 I 8.15 3.85 1.66 0.00 0.00 0.55 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 0.53 0.69 0.00 0.00 127 E 8.64 4.57 0.00 1.82 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 2.32 2.25 0.00 128 M 7.76 4.93 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 129 I 8.32 5.11 1.82 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.40 1.01 0.00 0.00 130 A 8.84 4.85 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 0.00 131 T 8.72 5.06 4.28 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 1.34 0.00 0.00 132 S 9.30 4.95 0.00 3.93 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 0.00 133 E 8.69 4.21 0.00 2.01 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 2.39 2.23 0.00 134 V 7.70 4.34 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 1.06 0.00 0.00 0.99 0.00 0.00 135 R 8.76 4.47 0.00 1.87 1.79 0.00 3.07 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 136 I 8.38 4.87 1.86 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 1.30 0.54 0.98 0.00 0.00 137 S 9.12 5.23 0.00 3.87 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 0.00 138 V 9.31 4.98 2.06 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 0.81 0.00 0.00 1.09 0.00 0.00 139 I 8.09 5.08 1.88 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 1.27 0.70 0.91 0.00 0.00 140 I 8.40 4.93 1.86 0.00 0.00 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 1.32 0.68 0.91 0.00 0.00 141 P 0.00 4.58 0.00 2.44 2.35 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 142 A 8.93 4.01 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 0.00 143 E 8.06 3.97 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 2.00 1.84 0.00 144 Y 7.90 4.32 0.00 3.03 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 0.00 145 A 9.04 3.96 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 0.00 146 E 8.16 3.91 0.00 2.00 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 2.42 2.34 0.00 147 A 8.06 4.11 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 0.00 148 A 8.31 3.96 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 0.00 149 L 8.19 4.13 0.00 1.80 1.86 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.20 4.00 0.00 1.88 1.92 0.00 3.32 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 1.51 0.00 151 A 7.70 4.27 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 0.00 152 V 8.47 3.69 2.20 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 1.23 0.00 0.00 1.11 0.00 0.00 153 H 8.38 4.06 0.00 3.50 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.86 4.32 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 155 A 8.27 4.64 1.07 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 0.00 0.00 0.00 0.00 0.00 156 F 7.93 4.67 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.26 4.24 0.00 2.15 1.90 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 2.34 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.