NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2178 8.1185 123.5839 51.9034 19.5550 176.5850 4 A 3.2622 7.3818 115.6801 54.4990 18.6863 177.5233 5 A 3.9404 9.0182 118.0657 54.6991 19.2638 178.2066 6 L 3.9415 7.9094 116.5274 58.1398 41.7234 179.8404 7 R 3.9337 8.0597 117.8386 59.1731 29.9460 178.3345 8 D 4.3353 8.3077 117.9396 57.6436 41.1074 178.0836 9 Q 3.9795 7.8987 118.0106 59.2002 28.7391 179.0632 10 L 3.9663 7.6835 120.6859 58.6396 42.1115 178.8870 11 T 3.9005 8.0516 115.3173 66.9840 68.4545 176.3244 12 A 4.1568 8.4199 122.0128 54.1795 18.2262 179.3824 13 L 4.0246 8.1154 119.8817 58.2709 42.3324 178.8277 14 L 4.1322 8.3172 119.2253 57.9300 41.4727 179.6576 15 S 4.2563 8.2020 113.1787 61.4057 62.3489 176.1677 16 S 4.1185 7.7590 114.5701 61.5747 62.0829 176.0075 17 M 4.0377 8.5252 121.8354 57.8991 31.4531 178.3726 18 F 4.1240 8.4443 117.3141 59.5363 39.2958 177.5616 19 S 4.3981 8.1967 112.8828 60.5415 62.2821 175.1524 20 Q 4.7002 7.9816 118.9750 55.2592 29.7336 175.7470 21 G 4.0950 8.2502 105.3220 46.4510 0.0000 175.5649 22 L 3.9380 8.0166 122.0118 56.6683 41.7441 177.9305 23 V 5.1783 7.1637 108.3493 58.2993 35.1161 174.4948 24 D 5.4102 7.8985 121.4845 51.2356 42.3523 175.6740 25 E 4.0877 9.0894 115.9278 60.6128 28.9808 178.9780 26 Q 4.3015 8.3327 118.0438 58.2969 28.8019 178.4667 27 F 4.3389 8.6161 122.2313 61.4620 39.3510 176.8818 28 Q 3.9469 8.4104 117.2853 59.4379 28.9500 178.0530 29 Q 4.1305 8.6299 119.2988 58.8622 28.7949 178.4457 30 L 4.0736 7.6321 121.4155 58.2263 41.8598 178.7591 31 Q 4.1094 7.4057 112.8402 57.1246 28.2756 176.4572 32 M 4.8825 8.1091 118.7541 55.7461 35.4838 177.2315 33 L 3.8813 8.0030 119.2084 57.8799 42.3227 178.0141 34 Q 3.9136 8.0458 118.4396 59.0717 29.7786 176.4746 35 D 4.5716 9.8564 119.5550 52.5751 39.1828 175.0961 *40 P 4.3311 0.0000 0.0000 62.0756 33.8170 178.9766 41 G 4.1223 7.8392 104.1942 44.2819 0.0000 174.7782 42 F 4.2482 8.1894 124.1630 61.1115 39.4276 177.1590 43 V 3.3194 7.8093 117.1883 66.0056 31.4325 177.5320 44 S 4.0044 8.0207 112.2712 61.6597 62.2148 175.9212 45 E 3.9517 8.3664 121.3199 59.1078 29.1385 179.5880 46 V 3.3653 7.5700 118.4306 65.9592 31.5336 178.3039 47 V 3.5263 7.6729 118.0450 66.1963 31.1474 178.1060 48 T 3.8575 7.8839 115.5077 66.6244 68.1995 176.7107 49 L 3.9678 8.0296 120.9459 57.6925 41.5598 179.3227 50 F 4.2384 8.8149 121.0330 61.3733 39.2642 177.1226 51 C 4.1520 8.3574 116.5296 62.8925 27.9952 175.7741 52 D 4.3269 8.2981 120.6903 57.4938 40.4394 178.6035 53 D 4.2319 8.3161 119.4572 57.1601 40.7961 178.7970 54 A 3.4925 7.6041 121.3116 55.1666 17.8195 178.5801 55 D 4.3120 8.1437 116.7029 57.8196 40.9703 178.3402 56 R 3.9454 8.0352 118.9544 59.8473 29.8754 178.4780 57 I 4.5204 7.8825 120.5958 64.3555 37.1953 178.9648 58 I 3.8347 7.7827 120.3106 64.4785 36.9986 177.8139 59 N 4.4745 8.0068 116.1917 55.8999 38.3995 177.4688 60 E 3.9980 9.5003 120.7477 59.5323 29.6322 179.3165 61 I 3.5894 7.8706 119.0876 64.2116 36.9325 177.9697 62 A 4.0149 7.6132 120.5479 55.6819 18.5050 179.6042 63 T 4.3359 7.8688 115.3296 66.2008 68.4119 176.8203 64 L 3.8646 7.8901 120.9541 57.9061 41.4694 179.0274 65 L 4.2080 7.7362 115.2945 55.6693 41.8233 177.8072 66 E 4.4486 8.4240 118.8819 55.3694 30.3007 175.7338 67 Q 4.2532 7.0938 118.6653 54.6724 29.6169 174.2691 68 P 4.3225 0.0000 0.0000 64.8980 31.5600 177.0276 69 V 4.3333 7.5491 116.1198 60.7660 33.6333 174.4204 70 V 3.9344 8.1904 126.3616 61.3403 33.0115 175.4475 71 N 4.6792 7.9137 124.5441 52.1555 39.1405 175.2489 72 F 4.1900 8.4809 127.4650 60.1597 39.2772 176.9651 73 D 4.4219 8.3584 118.3156 57.5570 40.6760 178.7766 74 K 4.0598 8.5070 119.7211 58.9375 32.0895 179.2245 75 V 3.3728 7.7721 119.0050 65.8760 31.1173 177.2509 76 D 4.3175 8.8352 117.9810 57.5488 40.9097 178.2354 77 A 4.0719 8.1824 121.0129 55.5040 18.0812 179.2659 78 Y 3.7680 8.3202 115.3378 60.9213 37.8041 178.5599 79 V 3.4255 7.8154 118.8635 65.2663 31.6134 177.5893 80 H 4.1673 8.3764 118.7078 59.0195 29.6307 176.6759 81 Q 3.8454 7.8122 121.3667 59.3442 28.7835 178.2705 82 L 4.0426 7.3362 122.0290 57.3691 42.1644 178.4104 83 K 4.0516 8.2759 119.8588 60.0575 32.0678 178.8983 84 G 3.6033 8.1023 105.4155 47.1295 0.0000 175.3664 85 S 4.1109 8.4021 116.0906 61.7600 62.2598 176.6793 86 S 3.6541 8.8445 117.9526 61.2877 62.5818 176.1845 87 A 3.9414 7.6949 123.5472 55.4498 17.9079 179.7653 88 S 4.2689 8.3063 110.7798 60.0874 62.9778 175.2469 89 V 4.1713 6.4191 121.2062 60.6212 31.4796 175.6704 90 G 4.4767 8.1865 106.6387 46.5920 0.0000 174.7332 91 A 4.3903 7.6721 122.9077 50.3753 14.8917 178.2732 92 Q 3.4991 7.8236 125.5159 58.5767 29.1084 178.1575 93 K 3.8071 7.6002 118.6913 59.2215 31.6441 179.2673 94 V 3.7964 7.6320 117.7863 65.0111 31.4988 178.0150 95 K 3.9527 7.5680 119.3504 59.6156 31.9279 178.4674 96 F 4.5203 7.6057 116.6076 61.2713 39.1629 177.7301 97 T 4.5015 7.7490 115.3502 66.5422 68.3705 176.4549 98 C 4.3683 7.9434 117.9297 63.4793 27.9710 176.2015 99 M 4.3203 8.1683 118.7291 57.7513 31.4224 177.9095 100 Q 4.3557 8.7739 117.8991 57.1972 29.3076 177.6236 101 F 4.6554 8.2821 122.0240 61.0722 39.3635 176.9302 102 R 4.2683 8.3234 118.9805 58.8672 29.6964 178.3679 103 Q 3.9399 8.0477 118.3085 59.1315 28.8575 178.1980 104 F 4.2555 7.2851 115.5900 61.0159 39.0278 177.5272 105 C 4.4581 8.4540 116.1650 62.8714 27.7363 175.9749 106 Q 3.9945 8.3620 120.9300 58.8394 28.7485 177.0716 107 D 4.4115 9.2549 117.5231 53.5308 41.5315 176.0607 108 K 2.0000 7.0009 118.0767 56.7128 30.2314 176.1797 109 S 4.5240 7.5659 114.5292 56.6001 62.3830 174.1128 110 R 4.2053 8.9062 128.3975 59.8537 29.5642 177.6297 111 D 4.5788 8.1895 117.0779 56.1555 41.1874 178.6653 112 G 3.5433 7.9421 106.6139 47.5567 0.0000 175.7738 113 C 3.7386 8.2966 119.0792 62.4249 28.1088 176.0171 114 L 3.9394 7.4556 120.7197 57.8964 41.1716 179.3969 115 M 3.8300 7.3541 117.6674 58.2890 31.8359 178.5249 116 A 3.7321 6.4845 119.6452 55.1361 18.3663 179.4770 117 L 3.7032 7.5124 118.3717 58.1317 42.1955 179.1193 118 A 3.8929 7.9056 121.1128 54.9767 18.2549 179.8247 119 V 3.5286 7.7262 116.8286 65.9916 31.5612 178.3694 120 V 3.6124 8.5822 119.0601 66.0846 31.3375 177.9066 121 R 3.6573 8.1836 118.5053 59.3160 29.7762 178.0538 122 N 4.3598 7.8265 115.4276 55.7983 38.7979 177.2875 123 D 4.3593 8.8238 120.6895 56.9280 40.7653 178.6036 124 F 4.3692 8.5083 121.7236 61.3274 39.3907 176.8916 125 Y 3.8849 7.9389 116.4340 61.0753 37.6742 178.2123 126 D 4.2224 8.2599 118.9000 57.2650 41.2578 178.0600 127 L 3.5838 7.5206 120.4433 57.9707 42.0000 178.8203 128 R 3.8306 8.1573 119.0052 59.3454 29.6114 178.0126 129 N 4.2034 8.1397 116.4623 56.4373 38.5125 177.4580 130 K 3.9399 7.7658 119.4577 59.5454 32.1337 179.5110 131 F 4.5987 8.3137 118.3412 60.7675 38.7403 177.6006 132 Q 4.2031 8.5100 117.0251 58.1706 28.4564 178.6436 133 T 4.0223 7.5428 117.3741 66.5409 68.8107 176.2215 134 M 4.0172 8.3564 120.3955 59.0782 32.0703 178.4261 135 L 4.0040 8.1290 118.6259 57.9071 41.7888 179.2356 136 Q 3.9661 7.8635 119.6447 59.2592 28.9495 178.3707 137 L 4.0271 8.5740 120.4017 57.6534 41.3815 179.3617 138 E 3.9932 8.1439 118.1240 59.5139 29.7181 178.5514 139 Q 4.0333 8.4316 119.8737 59.3238 28.8659 178.1160 140 Q 4.0219 8.2403 118.9861 59.5577 29.0460 179.6337 141 I 3.8831 7.7854 119.0399 63.7758 37.1536 176.4931 142 Q 4.2577 8.3351 124.9524 56.3531 29.0564 175.3435 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 3 A 8.12 4.22 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 4 A 7.38 3.26 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 5 A 9.02 3.94 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 6 L 7.91 3.94 0.00 1.90 1.75 0.90 0.96 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 7 R 8.06 3.93 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 8 D 8.31 4.34 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.90 3.98 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 10 L 7.68 3.97 0.00 1.74 1.91 1.00 1.18 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 11 T 8.05 3.90 4.43 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 1.24 0.00 0.00 12 A 8.42 4.16 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 13 L 8.12 4.02 0.00 1.89 1.89 0.92 0.83 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 14 L 8.32 4.13 0.00 1.94 2.02 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.20 4.26 0.00 4.09 3.90 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 0.00 0.00 0.00 16 S 7.76 4.12 0.00 3.99 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 17 M 8.53 4.04 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.42 0.00 18 F 8.44 4.12 0.00 3.27 3.13 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 19 S 8.20 4.40 0.00 3.91 4.11 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 0.00 0.00 0.00 20 Q 7.98 4.70 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 21 G 8.25 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 0.00 0.00 0.00 22 L 8.02 3.94 0.00 1.56 1.37 0.93 0.54 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 23 V 7.16 5.18 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 -0.37 0.00 0.00 24 D 7.90 5.41 0.00 2.94 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 25 E 9.09 4.09 0.00 2.25 2.37 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 2.43 2.42 0.00 26 Q 8.33 4.30 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 27 F 8.62 4.34 0.00 3.20 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 28 Q 8.41 3.95 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 29 Q 8.63 4.13 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 30 L 7.63 4.07 0.00 1.70 1.62 0.92 0.61 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 31 Q 7.41 4.11 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.10 1.82 0.00 32 M 8.11 4.88 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 33 L 8.00 3.88 0.00 1.78 1.79 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.05 3.91 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.42 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 35 D 9.86 4.57 0.00 2.91 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 *40 P 0.00 4.33 0.00 2.22 2.23 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 41 G 7.84 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 42 F 8.19 4.25 0.00 3.06 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 43 V 7.81 3.32 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 0.90 0.00 0.00 0.98 0.00 0.00 44 S 8.02 4.00 0.00 3.91 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 45 E 8.37 3.95 0.00 2.05 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 2.54 2.47 0.00 46 V 7.57 3.37 1.80 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 0.63 0.00 0.00 -0.04 0.00 0.00 47 V 7.67 3.53 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 0.32 0.00 0.00 0.28 0.00 0.00 48 T 7.88 3.86 4.34 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 1.23 0.00 0.00 49 L 8.03 3.97 0.00 1.86 1.72 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.81 4.24 0.00 3.07 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 51 C 8.36 4.15 0.00 3.13 3.12 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 52 D 8.30 4.33 0.00 2.64 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 53 D 8.32 4.23 0.00 2.67 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 54 A 7.60 3.49 -0.14 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 55 D 8.14 4.31 0.00 2.97 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 56 R 8.04 3.95 0.00 1.87 1.95 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 57 I 7.88 4.52 1.74 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 1.60 1.33 0.87 0.00 0.00 58 I 7.78 3.83 1.99 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 1.48 0.86 0.91 0.00 0.00 59 N 8.01 4.47 0.00 3.04 2.88 0.00 0.00 7.02 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 60 E 9.50 4.00 0.00 2.29 2.19 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 2.39 2.58 0.00 61 I 7.87 3.59 2.04 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.90 0.00 0.00 62 A 7.61 4.01 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 63 T 7.87 4.34 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 1.18 0.00 0.00 64 L 7.89 3.86 0.00 1.66 1.49 0.30 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.74 4.21 0.00 1.75 1.69 1.02 0.69 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 66 E 8.42 4.45 0.00 2.06 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 2.22 2.34 0.00 67 Q 7.09 4.25 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 68 P 0.00 4.32 0.00 2.02 2.12 0.00 3.58 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 2.02 2.08 0.00 69 V 7.55 4.33 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 0.93 0.00 0.00 70 V 8.19 3.93 1.53 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 -0.22 0.00 0.00 0.85 0.00 0.00 71 N 7.91 4.68 0.00 2.67 2.54 0.00 0.00 7.18 7.71 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 72 F 8.48 4.19 0.00 3.16 3.24 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 73 D 8.36 4.42 0.00 2.92 2.77 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 74 K 8.51 4.06 0.00 1.85 1.83 0.00 1.58 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.93 1.33 7.81 75 V 7.77 3.37 2.33 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 0.98 0.00 0.00 0.75 0.00 0.00 76 D 8.84 4.32 0.00 3.04 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 77 A 8.18 4.07 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 78 Y 8.32 3.77 0.00 3.19 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 79 V 7.82 3.43 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.01 0.00 0.00 80 H 8.38 4.17 0.00 3.42 3.39 0.00 5.67 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 81 Q 7.81 3.85 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 82 L 7.34 4.04 0.00 1.77 1.78 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.28 4.05 0.00 1.89 1.91 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.51 7.81 84 G 8.10 3.60 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 0.00 0.00 0.00 0.00 85 S 8.40 4.11 0.00 4.17 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 86 S 8.84 3.65 0.00 4.01 4.08 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 0.00 0.00 0.00 0.00 87 A 7.69 3.94 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 88 S 8.31 4.27 0.00 3.96 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 89 V 6.42 4.17 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 -0.62 0.00 0.00 0.80 0.00 0.00 90 G 8.19 4.48 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 0.00 91 A 7.67 4.39 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 92 Q 7.82 3.50 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.99 0.00 93 K 7.60 3.81 0.00 1.77 2.06 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.44 7.81 94 V 7.63 3.80 2.34 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 1.16 0.00 0.00 1.12 0.00 0.00 95 K 7.57 3.95 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.50 7.81 96 F 7.61 4.52 0.00 3.12 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 97 T 7.75 4.50 4.37 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 1.37 0.00 0.00 98 C 7.94 4.37 0.00 3.26 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 99 M 8.17 4.32 0.00 2.11 2.45 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 2.94 2.68 0.00 100 Q 8.77 4.36 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.71 0.00 101 F 8.28 4.66 0.00 3.41 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 0.00 102 R 8.32 4.27 0.00 1.95 2.03 0.00 3.51 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.64 0.00 103 Q 8.05 3.94 0.00 2.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.55 0.00 104 F 7.29 4.26 0.00 3.41 3.04 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 0.00 0.00 0.00 105 C 8.45 4.46 0.00 3.20 3.42 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 0.00 106 Q 8.36 3.99 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 107 D 9.25 4.41 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.00 2.00 0.00 1.61 1.44 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.02 1.12 7.81 109 S 7.57 4.52 0.00 3.85 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 0.00 110 R 8.91 4.21 0.00 2.15 2.03 0.00 3.26 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 111 D 8.19 4.58 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 112 G 7.94 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 0.00 0.00 0.00 113 C 8.30 3.74 0.00 3.35 3.31 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 0.00 114 L 7.46 3.94 0.00 1.80 1.64 0.95 0.87 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 0.00 115 M 7.35 3.83 0.00 1.87 1.65 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 116 A 6.48 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 0.00 117 L 7.51 3.70 0.00 2.14 1.84 1.07 1.21 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 0.00 118 A 7.91 3.89 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 0.00 119 V 7.73 3.53 2.19 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 1.01 0.00 0.00 0.91 0.00 0.00 120 V 8.58 3.61 2.19 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 1.06 0.00 0.00 1.15 0.00 0.00 121 R 8.18 3.66 0.00 1.87 1.88 0.00 2.97 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.00 0.00 122 N 7.83 4.36 0.00 2.76 2.81 0.00 0.00 7.02 7.39 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 0.00 123 D 8.82 4.36 0.00 2.90 2.75 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 0.00 0.00 0.00 124 F 8.51 4.37 0.00 3.15 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 0.00 125 Y 7.94 3.88 0.00 3.13 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 0.00 126 D 8.26 4.22 0.00 2.82 2.60 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 0.00 127 L 7.52 3.58 0.00 1.66 1.70 -0.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.16 3.83 0.00 1.03 1.55 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 129 N 8.14 4.20 0.00 2.92 2.79 0.00 0.00 7.05 8.14 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 0.00 130 K 7.77 3.94 0.00 1.73 1.64 0.00 1.47 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.44 7.81 131 F 8.31 4.60 0.00 3.18 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 0.00 132 Q 8.51 4.20 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 133 T 7.54 4.02 4.44 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 1.23 0.00 0.00 134 M 8.36 4.02 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 135 L 8.13 4.00 0.00 1.77 1.71 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.86 3.97 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 137 L 8.57 4.03 0.00 1.86 1.73 0.98 0.99 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 0.00 138 E 8.14 3.99 0.00 2.16 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 2.38 2.49 0.00 139 Q 8.43 4.03 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 140 Q 8.24 4.02 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 141 I 7.79 3.88 2.08 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 1.42 0.56 0.93 0.00 0.00 142 Q 8.34 4.26 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.