NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7357 8.2827 118.2143 52.5944 38.9691 175.0251 3 V 3.4974 8.3235 120.5919 64.3039 31.4563 176.7523 4 D 4.5891 8.3464 117.5695 55.9167 39.5906 177.4747 5 F 3.8814 7.9890 121.2925 60.8618 40.0294 177.0340 6 I 4.1558 7.6826 119.4536 64.6015 36.9166 177.8070 7 N 4.3241 8.5448 117.8109 56.3890 38.4939 175.4381 8 P 3.9434 0.0000 0.0000 65.6115 31.2504 178.7204 9 F 4.2187 7.9987 116.2234 60.5174 39.0933 177.8157 10 L 4.1799 8.1089 118.1554 58.0211 41.4200 179.2431 11 D 4.4112 9.0175 119.4865 57.3346 40.7989 178.9347 12 S 4.0912 8.1502 115.7481 61.3840 62.8007 176.2815 13 L 3.8316 7.9278 122.8893 58.3526 41.8546 179.0442 14 L 3.8662 7.5982 118.2644 57.7187 41.4752 179.2130 15 N 4.2864 8.5091 117.3847 56.5475 38.6973 177.1234 16 V 3.5608 8.0139 118.8022 66.1807 31.7573 177.8212 17 L 4.1953 7.9595 119.7309 57.9640 41.5732 180.2028 18 K 4.2197 8.1516 124.1316 59.9412 31.5502 182.3001 19 T 4.4192 7.7873 107.1274 62.3757 68.5701 174.9461 *21 A 4.0272 7.7098 122.2928 50.9464 20.1514 176.7199 22 N 3.7964 7.8045 113.2174 54.9170 36.8641 172.7410 *24 E 4.1286 8.1266 115.6424 55.0191 30.4142 174.6148 25 L 4.5542 8.2401 124.6705 53.6397 43.1468 176.8124 26 K 4.5367 9.3810 124.7951 54.3367 33.3427 173.9476 27 P 3.9815 0.0000 0.0000 62.8930 31.9948 176.4825 28 G 4.0290 8.1023 112.1467 44.3052 0.0000 172.7707 29 K 4.1646 8.3974 119.9111 55.5118 32.3678 175.7109 30 P 4.5906 0.0000 0.0000 62.3326 32.3795 174.9498 31 N 4.8236 9.1631 120.4947 52.7263 40.5511 175.2465 32 L 4.8078 8.6224 126.6590 54.6745 41.5336 174.5789 33 K 4.5475 7.5939 121.3806 55.2570 33.2815 180.8820 34 K 4.2726 7.4250 117.6408 55.0464 34.9596 176.4247 35 D 5.0036 8.4779 124.4437 51.2396 42.0706 174.8869 36 N 4.2845 8.2341 114.9946 55.3116 37.5722 174.5968 37 L 4.3852 7.8018 112.7995 55.6171 43.9800 176.8943 38 A 3.6864 7.5588 119.5993 52.1152 18.4060 176.6089 39 K 4.4288 8.5114 122.6074 56.0045 33.6221 176.4853 40 G 4.2482 8.8289 109.8232 45.2808 0.0000 172.4545 41 D 5.2745 9.7143 119.1526 54.2815 43.4266 177.4450 42 V 5.2056 7.7436 116.5830 60.3047 34.7728 174.5258 43 S 5.2853 9.4017 118.8397 56.9194 67.5325 172.9320 44 G 4.8791 9.4104 111.1534 44.0009 0.0000 172.4946 45 L 5.4416 9.0537 124.3724 52.9624 45.9200 175.5200 46 I 4.7173 8.8746 122.7394 59.8657 41.9178 174.8464 47 G 3.8207 8.4349 116.3064 44.8784 0.0000 172.4055 *49 V 4.1657 8.1693 117.9923 62.7447 32.4662 175.0574 50 G 4.7013 9.2868 114.6828 41.3561 0.0000 169.4714 51 P 4.3933 0.0000 0.0000 63.9299 30.9796 175.7474 52 Q 3.6284 9.0255 121.6064 56.4999 26.4535 173.3317 53 T 5.1999 8.0369 106.6295 60.1420 72.6054 172.7295 54 K 4.6554 8.8965 122.0915 56.1064 36.5100 175.5241 55 G 2.9288 7.7307 107.6126 46.0579 0.0000 171.7050 56 S 4.8460 8.0145 112.1975 57.1354 66.6006 173.5634 57 L 5.3327 9.0550 124.2154 53.3502 45.5269 175.2079 58 S 5.1763 9.1261 119.2700 56.6666 66.9530 172.8663 59 I 4.7552 9.2095 123.3377 60.0664 39.9817 174.3535 60 T 5.1036 8.6616 124.4672 60.9282 71.2751 173.8107 61 F 5.2048 9.2994 123.9713 55.4336 43.0067 174.6575 62 E 4.5058 8.9829 122.6346 56.3282 30.3741 177.6035 63 E 3.9626 10.2928 125.2938 59.9888 29.5862 179.6585 64 T 3.9456 8.0217 109.0619 64.7106 68.6273 175.9570 65 L 3.9702 7.9101 122.5089 58.1105 42.1721 178.5130 66 I 3.3549 7.4083 116.6472 64.0503 37.9028 177.4944 67 L 4.0539 7.7603 118.9642 57.6585 41.7110 178.7877 68 E 3.9318 7.9698 119.2280 58.8056 29.1844 179.2972 69 I 3.5532 7.2933 116.4376 61.8226 37.2815 176.4374 *71 N 4.8151 8.1117 120.3611 53.8300 40.2795 176.2718 72 K 4.0197 7.7426 114.3236 57.1670 31.7289 177.7065 *74 L 4.0813 8.0109 117.3922 53.7310 43.0374 178.2947 75 G 3.8528 8.7109 105.9925 45.7585 0.0000 173.5380 76 E 4.5569 7.6263 118.1178 54.4594 32.8626 173.9946 77 K 4.4119 8.3771 126.5859 54.2906 33.2100 174.4949 78 P 4.3634 0.0000 0.0000 63.3969 31.8076 176.2904 79 E 4.4277 8.7924 121.2764 56.1345 27.5504 174.5117 80 S 4.8632 7.3586 110.0797 56.1902 67.0191 173.7239 81 I 3.7882 8.2135 123.5952 61.7372 37.1115 175.2628 82 D 5.1648 8.1694 126.5216 51.1331 42.4992 175.5263 83 E 3.8717 8.8424 117.7760 59.9700 29.6078 178.8511 84 E 3.9032 8.2046 118.8116 59.3999 29.5436 178.8291 85 V 3.5590 8.1528 118.4377 66.1321 31.6113 178.1083 86 T 3.8664 7.8456 109.3031 64.8471 68.3869 176.2243 87 D 4.3177 8.1033 121.7075 56.9866 40.8429 178.2703 88 L 3.8831 7.8855 120.8067 58.2977 42.0150 179.2178 89 V 3.6877 7.9917 118.2424 65.8021 31.4192 178.1640 90 G 3.6357 8.2084 105.4095 47.9590 0.0000 175.4587 91 E 4.0101 8.2386 120.5262 59.0331 29.5623 179.1774 92 L 4.1716 8.1467 118.2202 58.0983 41.9922 179.3913 93 T 4.1739 8.2090 115.7253 66.6389 68.2709 176.9984 94 N 4.2576 8.1235 114.6856 54.0664 38.4018 177.0198 *96 V 4.0416 7.6929 121.8688 63.4076 33.5159 177.8036 97 T 4.3555 8.2019 116.5024 66.5307 68.3038 177.1992 98 G 3.7025 8.6438 108.3228 47.7106 0.0000 176.1053 99 G 3.6082 8.0908 107.6044 47.3906 0.0000 175.5449 100 A 3.7158 7.8868 122.7395 54.6137 18.3181 179.4863 101 K 3.4014 8.0725 118.1716 59.6129 31.8948 178.8020 102 N 4.2441 7.6929 115.3267 56.1652 38.6868 177.1956 103 L 4.0734 7.4484 120.1404 57.9537 41.7641 179.6206 104 L 4.0579 7.9699 119.0153 57.8513 41.3374 179.6084 105 S 4.5439 8.0012 114.5086 60.9838 62.0474 176.0047 106 D 4.3260 7.7320 120.6187 57.1059 40.6595 177.4345 107 K 4.0996 7.8807 115.7719 57.1064 32.3161 177.6366 108 G 3.7078 7.9964 108.0152 45.1135 0.0000 172.9396 109 Y 4.6311 7.7619 117.9341 56.5352 38.0522 174.8226 110 E 4.7902 8.6395 124.9209 54.5191 32.0349 175.0206 111 F 5.1100 8.0149 115.9077 56.5681 40.6583 173.3626 112 D 5.1440 9.1695 120.9371 53.0285 43.8116 173.9965 *114 A 4.2781 8.2172 120.3731 52.8172 20.0295 176.7402 115 T 4.0406 8.4327 113.3897 63.0256 69.0782 172.9940 116 P 4.7853 0.0000 0.0000 62.8669 32.6463 175.4342 117 I 4.5610 9.0102 122.6443 59.5647 40.1398 174.5031 118 V 4.8280 8.4385 126.1205 61.1541 33.5246 174.5608 119 V 4.3889 8.5959 127.8427 61.2554 33.7079 174.3241 120 S 5.0910 8.2404 123.3510 56.8606 65.4643 173.7841 121 G 4.0309 8.6071 108.4926 45.0603 0.0000 172.4397 122 K 4.2368 9.0694 126.6060 56.8316 32.7719 176.3382 123 N 4.2276 8.6709 126.3698 54.5376 36.8108 174.1207 124 H 4.8169 8.1959 112.9284 55.4797 30.6310 174.8932 125 T 4.8670 8.4024 109.4978 60.1029 71.4946 173.2543 126 I 4.6886 8.1508 122.4573 59.5540 40.6535 174.6429 127 A 4.8397 8.3332 127.5036 50.7633 21.6241 175.1565 128 H 4.4282 9.4184 121.5929 54.5464 28.9423 175.9362 129 K 4.2870 8.2358 125.6542 55.3655 31.0653 175.8986 130 S 4.5291 7.6909 114.9049 57.4595 64.8660 175.2530 131 D 4.4798 8.7659 124.8961 55.4993 40.9410 176.5946 132 G 4.2741 7.6904 106.9783 45.4521 0.0000 172.9846 133 Q 4.4619 8.5170 118.4321 55.3771 29.8460 175.8800 134 K 5.1250 8.5766 122.1631 54.7086 35.9924 175.3730 135 I 4.6981 8.3374 121.6226 59.8555 41.7209 174.2101 136 I 5.1576 8.8250 129.6598 57.8974 41.0758 172.3389 *138 P 4.3899 0.0000 0.0000 63.0061 32.9959 175.6759 139 F 5.1521 8.9100 120.1129 55.8979 42.5494 174.0652 140 S 5.3956 9.1739 118.9559 56.7233 66.4676 173.0961 141 S 4.9525 8.8489 115.2214 56.6822 66.4758 174.7850 142 I 3.6371 8.5528 112.5979 63.8513 37.0985 176.3478 143 Y 4.3402 7.9650 116.7974 57.6235 38.1125 174.3847 144 G 3.9839 6.8267 106.5035 43.9270 0.0000 172.5839 145 T 5.0998 9.3033 115.6006 61.5459 71.9931 173.5636 146 A 4.9844 8.8208 126.0830 50.2507 22.5905 174.7172 147 Y 4.8720 8.7479 118.0613 56.1028 41.2716 174.4203 148 I 4.8384 8.5913 124.3549 59.1981 40.5911 173.4137 149 E 4.9776 9.1637 130.4880 54.3879 32.5785 174.3737 150 I 4.7421 8.4434 127.0116 59.5300 40.6627 174.0677 151 C 5.2439 8.9847 126.5087 57.7715 35.2643 172.6304 152 F 4.9965 8.8127 122.2658 56.1676 43.5615 173.0829 153 E 4.7886 9.6864 122.1096 55.5880 32.7418 176.7399 154 G 4.0369 8.7383 110.3953 45.9126 0.0000 173.2919 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 N 8.28 4.74 0.00 3.06 3.04 0.00 0.00 5.77 6.79 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 3 V 8.32 3.50 2.12 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 1.11 0.00 0.00 0.96 0.00 0.00 4 D 8.35 4.59 0.00 2.97 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 5 F 7.99 3.88 0.00 2.66 3.11 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 6 I 7.68 4.16 2.08 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 1.66 1.28 1.02 0.00 0.00 7 N 8.54 4.32 0.00 2.71 2.92 0.00 0.00 7.09 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 3.94 0.00 1.65 1.86 0.00 3.51 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 9 F 8.00 4.22 0.00 3.28 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 10 L 8.11 4.18 0.00 1.96 2.00 1.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.02 4.41 0.00 2.64 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 12 S 8.15 4.09 0.00 4.04 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 13 L 7.93 3.83 0.00 1.76 1.56 0.84 -0.07 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 14 L 7.60 3.87 0.00 1.75 1.70 1.13 0.35 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 15 N 8.51 4.29 0.00 2.87 2.94 0.00 0.00 6.84 7.36 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 16 V 8.01 3.56 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 0.90 0.00 0.00 1.00 0.00 0.00 17 L 7.96 4.20 0.00 1.63 1.71 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.15 4.22 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.31 7.81 19 T 7.79 4.42 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 1.31 0.00 0.00 *21 A 7.71 4.03 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 N 7.80 3.80 0.00 2.74 2.79 0.00 0.00 6.95 8.99 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 *24 E 8.13 4.13 0.00 2.05 1.83 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 2.13 1.91 0.00 25 L 8.24 4.55 0.00 1.68 1.81 0.94 1.00 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 26 K 9.38 4.54 0.00 1.94 1.70 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.42 7.81 27 P 0.00 3.98 0.00 1.88 1.65 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 28 G 8.10 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 29 K 8.40 4.16 0.00 1.99 1.75 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.00 7.81 30 P 0.00 4.59 0.00 2.16 2.01 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 31 N 9.16 4.82 0.00 2.67 2.67 0.00 0.00 7.53 6.94 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 32 L 8.62 4.81 0.00 1.69 1.51 0.92 0.71 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 33 K 7.59 4.55 0.00 1.69 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.30 1.25 7.81 34 K 7.42 4.27 0.00 1.72 1.57 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.10 0.82 7.81 35 D 8.48 5.00 0.00 2.74 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 36 N 8.23 4.28 0.00 2.80 2.91 0.00 0.00 7.02 9.08 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 37 L 7.80 4.39 0.00 1.53 1.57 0.88 0.81 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 38 A 7.56 3.69 -0.03 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 39 K 8.51 4.43 0.00 1.65 1.72 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.37 7.81 40 G 8.83 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 0.00 0.00 0.00 0.00 41 D 9.71 5.27 0.00 2.80 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 42 V 7.74 5.21 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 1.00 0.00 0.00 1.05 0.00 0.00 43 S 9.40 5.29 0.00 3.87 3.82 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 44 G 9.41 4.88 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 45 L 9.05 5.44 0.00 1.58 1.49 1.03 0.50 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 46 I 8.87 4.72 1.92 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 1.23 1.59 0.97 0.00 0.00 47 G 8.43 3.82 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 0.00 0.00 0.00 *49 V 8.17 4.17 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 0.93 0.00 0.00 0.98 0.00 0.00 50 G 9.29 4.70 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 0.00 0.00 0.00 51 P 0.00 4.39 0.00 2.24 2.16 0.00 4.22 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 52 Q 9.03 3.63 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 53 T 8.04 5.20 4.54 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 1.33 0.00 0.00 54 K 8.90 4.66 0.00 1.69 1.91 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.35 7.81 55 G 7.73 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 0.00 0.00 0.00 56 S 8.01 4.85 0.00 3.76 3.78 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 0.00 0.00 0.00 0.00 57 L 9.05 5.33 0.00 1.45 1.43 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.13 5.18 0.00 3.90 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 59 I 9.21 4.76 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.55 0.00 0.00 60 T 8.66 5.10 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 1.25 0.00 0.00 61 F 9.30 5.20 0.00 3.00 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 62 E 8.98 4.51 0.00 2.05 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 2.44 2.51 0.00 63 E 10.29 3.96 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 2.34 2.36 0.00 64 T 8.02 3.95 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 1.27 0.00 0.00 65 L 7.91 3.97 0.00 1.91 2.04 1.03 1.18 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 66 I 7.41 3.35 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.94 0.00 0.00 67 L 7.76 4.05 0.00 1.65 1.68 0.92 0.68 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 68 E 7.97 3.93 0.00 1.64 1.75 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 1.47 1.79 0.00 69 I 7.29 3.55 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.79 0.00 0.00 *71 N 8.11 4.82 0.00 2.87 2.98 0.00 0.00 7.11 6.30 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 72 K 7.74 4.02 0.00 1.73 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 *74 L 8.01 4.08 0.00 1.69 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.71 3.85 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 0.00 0.00 0.00 76 E 7.63 4.56 0.00 2.01 1.75 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 2.21 2.23 0.00 77 K 8.38 4.41 0.00 1.71 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.54 7.81 78 P 0.00 4.36 0.00 2.22 2.06 0.00 3.74 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 1.99 2.07 0.00 79 E 8.79 4.43 0.00 2.14 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 0.00 2.18 2.31 0.00 80 S 7.36 4.86 0.00 3.79 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 81 I 8.21 3.79 1.89 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 1.36 0.61 0.92 0.00 0.00 82 D 8.17 5.16 0.00 2.76 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 83 E 8.84 3.87 0.00 2.09 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 2.37 2.42 0.00 84 E 8.20 3.90 0.00 2.05 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 2.35 2.36 0.00 85 V 8.15 3.56 2.26 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 1.00 0.00 0.00 0.91 0.00 0.00 86 T 7.85 3.87 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 1.29 0.00 0.00 87 D 8.10 4.32 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 88 L 7.89 3.88 0.00 1.71 1.77 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.99 3.69 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 1.14 0.00 0.00 0.82 0.00 0.00 90 G 8.21 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 91 E 8.24 4.01 0.00 2.06 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 2.49 0.00 92 L 8.15 4.17 0.00 1.80 1.83 0.79 0.83 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 93 T 8.21 4.17 4.46 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 1.28 0.00 0.00 94 N 8.12 4.26 0.00 2.92 2.86 0.00 0.00 6.65 7.30 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 *96 V 7.69 4.04 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 1.11 0.00 0.00 0.97 0.00 0.00 97 T 8.20 4.36 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 1.55 0.00 0.00 98 G 8.64 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 0.00 0.00 0.00 99 G 8.09 3.61 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 0.00 0.00 0.00 100 A 7.89 3.72 0.72 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 0.00 0.00 101 K 8.07 3.40 0.00 1.55 1.80 0.00 1.30 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 0.55 7.81 102 N 7.69 4.24 0.00 2.83 2.80 0.00 0.00 7.10 7.41 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 0.00 103 L 7.45 4.07 0.00 1.53 1.63 0.84 0.54 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 0.00 104 L 7.97 4.06 0.00 1.70 1.79 0.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.00 4.54 0.00 3.94 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 0.00 106 D 7.73 4.33 0.00 2.81 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 0.00 107 K 7.88 4.10 0.00 1.99 2.02 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.47 7.81 108 G 8.00 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 0.00 109 Y 7.76 4.63 0.00 3.26 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 0.00 110 E 8.64 4.79 0.00 2.04 1.85 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 2.32 2.21 0.00 111 F 8.01 5.11 0.00 3.34 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 0.00 112 D 9.17 5.14 0.00 2.62 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 *114 A 8.22 4.28 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.43 4.04 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 1.23 0.00 0.00 116 P 0.00 4.79 0.00 2.11 2.09 0.00 3.74 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 2.01 2.20 0.00 117 I 9.01 4.56 1.87 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 1.12 0.80 0.91 0.00 0.00 118 V 8.44 4.83 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 0.85 0.00 0.00 1.04 0.00 0.00 119 V 8.60 4.39 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 0.73 0.00 0.00 0.90 0.00 0.00 120 S 8.24 5.09 0.00 3.75 3.74 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 0.00 121 G 8.61 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 0.00 122 K 9.07 4.24 0.00 1.81 1.77 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.51 7.81 123 N 8.67 4.23 0.00 2.95 2.87 0.00 0.00 7.10 7.66 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 0.00 124 H 8.20 4.82 0.00 3.21 3.42 0.00 5.22 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.40 4.87 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 1.15 0.00 0.00 126 I 8.15 4.69 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.90 0.00 0.00 127 A 8.33 4.84 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 0.00 128 H 9.42 4.43 0.00 3.07 3.21 0.00 5.67 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 0.00 129 K 8.24 4.29 0.00 1.70 1.76 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.33 7.81 130 S 7.69 4.53 0.00 3.72 3.62 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 0.00 131 D 8.77 4.48 0.00 2.70 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 0.00 132 G 7.69 4.27 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 0.00 0.00 0.00 133 Q 8.52 4.46 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 134 K 8.58 5.13 0.00 1.55 1.61 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.35 7.81 135 I 8.34 4.70 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.40 0.98 0.00 0.00 136 I 8.82 5.16 1.87 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 0.87 1.28 0.97 0.00 0.00 *138 P 0.00 4.39 0.00 1.95 2.17 0.00 3.52 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.01 0.00 139 F 8.91 5.15 0.00 2.83 2.91 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 0.00 140 S 9.17 5.40 0.00 3.84 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 0.00 141 S 8.85 4.95 0.00 3.98 4.07 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 0.00 142 I 8.55 3.64 1.61 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 -0.29 0.83 0.00 0.00 143 Y 7.97 4.34 0.00 2.99 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 0.00 144 G 6.83 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 0.00 0.00 0.00 145 T 9.30 5.10 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 0.53 0.00 0.00 146 A 8.82 4.98 0.95 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 0.00 0.00 147 Y 8.75 4.87 0.00 2.81 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 0.00 148 I 8.59 4.84 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.62 1.20 0.00 0.00 149 E 9.16 4.98 0.00 1.99 1.67 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 1.71 2.28 0.00 150 I 8.44 4.74 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.81 0.51 0.00 0.00 151 C 8.98 5.24 0.00 2.77 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 0.00 152 F 8.81 5.00 0.00 2.84 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 0.00 153 E 9.69 4.79 0.00 1.89 1.83 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 2.20 2.18 0.00 154 G 8.74 4.04 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.