NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3953 8.3193 116.7921 58.8029 64.2555 172.6187 0 H 4.8585 8.1202 117.9685 53.4202 31.2007 172.2351 2 F 5.1632 8.6195 116.4839 56.4410 44.2004 175.5030 3 S 5.3978 8.6989 114.5565 57.2684 66.1798 172.9065 4 I 4.9020 8.8922 113.3046 59.6174 41.1367 174.2908 5 T 5.3087 8.5298 118.8009 62.1197 72.1021 173.6599 6 V 4.6414 8.8965 118.1645 59.4853 35.7331 174.4403 7 R 5.0914 8.5970 122.8795 54.9656 32.5198 174.0962 8 D 5.0964 9.0918 124.9334 53.9300 45.2272 173.0541 9 H 5.1308 8.5189 111.5767 55.0070 31.0688 173.5173 10 I 4.9778 8.7332 114.1574 58.6653 40.9623 173.9832 *12 I 4.3694 8.2996 113.4329 61.3438 39.5043 174.3884 13 A 5.1858 8.4303 124.6196 50.8151 21.8864 175.2852 14 H 4.8999 8.4695 114.7199 55.2044 32.2836 172.6529 15 S 4.5758 8.8447 112.9277 56.5382 66.3904 173.2046 16 F 4.9980 8.3159 118.7546 55.6924 41.8943 174.8029 17 R 4.6496 9.8256 122.8632 54.8433 31.2555 174.5991 18 G 4.0014 9.2433 111.2509 43.5707 0.0000 173.8923 19 D 4.4305 9.0762 124.1062 56.9991 41.3868 178.8623 20 V 3.5045 7.6620 117.4914 64.3329 31.4585 176.9116 21 F 4.4852 8.3972 117.9325 57.2387 40.4681 177.0385 22 G 3.7977 7.7811 110.6914 45.7620 0.0000 176.0725 23 P 4.2876 0.0000 0.0000 64.9983 31.2938 177.4051 24 A 4.2054 8.2901 120.9238 53.2410 18.2911 178.9717 25 Q 4.9091 7.9698 115.0035 57.6751 29.0846 177.2604 26 R 4.1340 7.6602 116.7976 55.0771 30.7236 176.1051 27 L 4.0231 8.3642 122.9677 55.7623 43.0044 175.4497 28 H 4.5744 8.6747 125.4209 55.3383 29.8448 171.0014 29 G 4.3824 8.3932 104.7411 46.8561 0.0000 171.9107 30 A 4.5139 8.4747 119.9503 51.2777 22.2220 176.0281 31 T 4.4740 8.0352 115.8032 61.9390 70.9735 173.7659 32 F 5.5740 8.8302 125.4331 55.5231 41.7066 174.9285 33 L 4.5575 8.9476 124.9796 54.6552 42.9896 176.2811 34 V 4.7370 9.1125 123.9863 61.3940 34.1065 173.7221 35 D 5.4371 9.3079 128.9754 52.5923 43.2681 175.2765 36 A 4.8717 9.0355 126.3183 50.4859 21.3553 175.1125 37 T 4.9955 8.8832 120.2554 62.0120 71.1406 173.8048 38 F 5.2798 9.3608 125.4618 55.5427 41.9344 174.6623 39 R 5.4467 8.9721 119.8188 54.6095 32.8316 174.6510 40 R 4.9655 9.0004 116.2271 55.2552 32.6954 175.8756 41 E 4.2721 9.0039 119.9361 58.6070 30.0677 177.4303 42 Q 4.7628 7.7606 115.5805 53.5272 32.6703 174.8815 43 L 3.9239 7.9916 121.7172 54.6747 42.4719 177.4077 44 D 4.6743 8.5964 121.7771 52.6160 41.0619 176.6195 45 E 4.0476 8.5554 117.1866 58.9243 29.5101 177.4355 46 D 4.5406 8.2823 117.4907 53.8126 41.0746 175.7662 47 N 4.2203 8.2269 117.0041 54.4287 37.6814 173.3245 48 I 4.6269 7.4195 107.5113 58.4210 41.2039 176.2451 49 V 3.5462 8.3834 120.2224 65.3887 31.2209 178.3153 50 V 4.0954 7.4075 115.1689 62.0828 32.1758 171.1056 51 D 4.3646 8.1300 121.2230 55.1514 40.7841 176.7587 52 I 3.7276 8.2935 127.4965 63.7751 37.8830 177.4842 53 G 3.9214 8.1586 106.2884 48.2868 0.0000 175.4069 54 L 3.9570 8.1302 121.1249 56.8734 41.5899 179.2036 55 A 3.7236 8.2831 121.1169 55.5673 18.3436 179.8716 56 T 3.8334 8.5697 114.5466 66.6562 68.4293 176.6445 57 Q 3.9738 8.3425 121.7861 59.4785 29.0827 178.4742 58 E 3.9769 8.7812 119.7903 59.1501 29.4066 179.0139 59 L 4.1191 8.3976 120.9153 58.1255 42.1009 179.2359 60 G 3.6831 8.2199 105.3883 47.0948 0.0000 175.4069 61 A 4.0029 8.0712 122.4921 54.8192 18.2779 179.6500 62 V 3.6909 7.9092 116.6094 66.4870 31.6585 178.7845 63 V 3.8438 8.1722 112.0729 63.8612 30.8666 178.6606 64 G 3.7243 8.3833 105.9003 47.8122 0.0000 175.1911 65 A 3.9129 7.7195 120.4692 53.7356 18.4644 178.4598 66 L 4.5373 7.8544 116.4278 54.5944 43.6216 176.8214 67 N 4.2710 7.2562 117.1090 54.7081 39.6503 173.7853 68 Y 3.9134 8.0355 118.9370 59.3289 35.7942 170.5665 69 R 4.6477 7.4830 115.6633 54.3240 34.7079 174.7235 70 N 5.1288 8.5452 119.3666 52.5227 39.0248 175.8712 71 L 4.3602 9.1810 127.4853 57.1580 42.0243 179.3730 72 D 4.4498 8.2536 118.2074 56.7545 40.7493 176.8718 73 N 4.7302 7.9882 114.3315 52.8486 39.0418 174.3995 74 E 4.4070 7.9664 120.1512 54.3725 30.1734 175.4639 75 P 4.2025 0.0000 0.0000 65.5206 31.6877 178.4246 76 D 4.1925 7.8457 116.9324 56.5706 40.7892 177.1489 77 F 5.0342 7.8834 115.6044 56.7838 39.5116 174.7443 78 A 4.0549 7.4922 124.4968 54.1112 18.1574 178.8383 79 G 3.9381 9.1038 110.9863 45.3869 0.0000 172.9009 80 V 4.1971 7.6123 119.1612 60.4065 33.5781 174.8670 81 N 4.4486 8.4846 124.8795 53.5640 39.0773 176.3978 82 T 4.3718 8.2890 118.5056 60.4892 68.0012 174.9829 83 S 4.4070 7.5108 119.6935 58.8893 65.7485 175.1527 84 T 3.5440 8.5375 119.6114 66.8308 68.0907 176.6251 85 E 3.9449 8.0935 118.9434 59.3017 29.6595 178.7656 86 F 4.0199 8.1001 121.3314 61.0739 39.5025 177.2048 87 L 3.5664 8.1921 118.5892 57.2459 41.1704 179.2305 88 A 3.8619 7.8704 121.0705 55.0387 18.2565 179.6193 89 K 3.2136 7.2986 117.8785 59.1607 32.0609 179.0927 90 V 3.3121 7.2038 118.5916 66.1163 31.3184 178.1653 91 I 3.6626 7.7029 119.1685 64.1146 36.8303 178.1239 92 A 3.9850 8.1622 121.9289 55.4941 18.2468 179.4865 93 D 4.3165 8.4481 117.6353 57.5810 40.8790 179.3159 94 R 3.9628 8.1924 118.6893 59.0627 29.9783 179.0003 95 L 4.0019 8.3279 119.0122 57.7577 41.6172 179.2387 96 A 3.9380 8.2392 120.8534 55.4522 18.3028 179.5644 97 E 3.9103 8.2006 116.8382 59.6008 29.4994 179.8302 98 R 3.9467 8.0005 118.1354 59.1040 30.1392 179.2391 99 V 3.5894 8.0258 118.1906 66.4763 31.3531 177.8109 100 H 4.3303 8.0276 114.8710 58.5939 28.6463 177.3182 101 K 4.2759 7.9928 118.5864 57.7783 33.0558 177.8577 102 G 3.9583 7.9646 109.0405 45.2985 0.0000 175.2353 103 A 4.0317 8.0006 123.1514 54.1353 18.4536 178.9743 104 L 4.4103 8.0097 114.0858 54.3194 42.3240 177.3648 105 G 4.0458 8.0351 105.3852 45.5236 0.0000 175.0077 106 E 4.0711 8.8219 119.4829 59.3265 29.4372 180.0832 107 G 3.6566 8.0904 104.7558 47.3320 0.0000 175.0791 108 A 4.1796 7.8214 122.0975 54.2648 18.1704 179.3334 109 R 4.2237 7.7789 115.4249 58.0785 30.2539 178.1593 110 G 3.8273 7.7631 104.2202 44.4499 0.0000 174.0874 111 L 4.2482 7.1841 121.1618 55.0461 42.5251 176.9943 112 A 4.2595 9.0634 124.2443 54.5465 20.3371 177.2780 113 G 4.4872 7.6361 100.1291 46.4098 0.0000 172.1222 114 L 5.1907 8.3535 118.7645 54.7937 44.3831 175.0833 115 T 4.9746 8.7121 115.8795 61.8041 72.9564 173.0797 116 V 4.7452 8.8042 125.3321 61.3703 34.5010 174.1468 117 T 5.1004 8.9683 124.5979 61.7603 71.5266 172.8689 118 L 5.2667 9.0177 126.6972 53.3238 44.6965 175.1078 119 H 5.4493 9.4495 121.8509 54.3901 29.9958 175.2692 120 E 4.5066 9.4752 121.8579 56.5563 30.4122 175.7249 121 S 4.6210 7.5163 112.0526 58.2298 65.1059 174.2341 122 H 4.5619 9.1633 114.6055 57.4572 28.5314 175.9294 123 V 4.5721 7.9756 111.3294 60.7934 33.2638 175.1908 124 A 4.5543 8.0303 123.2057 50.4743 21.9984 175.2030 125 W 5.8341 7.9353 118.0661 55.3149 31.4703 173.6100 126 A 5.0043 9.5067 122.1811 50.5367 22.4982 175.0760 127 S 5.1866 8.5041 112.2514 57.0982 66.7466 172.7383 128 Y 4.7969 9.1728 121.9071 55.9702 41.7810 173.3608 129 E 5.0100 8.3212 127.2793 54.3961 32.1155 174.8755 130 R 4.5943 8.5909 121.2031 54.4455 33.2485 174.3994 131 A 4.5836 8.5253 122.2589 51.9545 19.6926 177.6801 132 L 4.2916 8.3805 118.4341 54.9635 41.9172 176.9627 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 S 8.32 4.40 0.00 3.84 3.80 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 0 H 8.12 4.86 0.00 3.14 3.24 0.00 5.47 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.62 5.16 0.00 3.15 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 3 S 8.70 5.40 0.00 3.99 3.84 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 4 I 8.89 4.90 1.94 0.00 0.00 1.00 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 1.35 0.96 0.00 0.00 5 T 8.53 5.31 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 1.23 0.00 0.00 6 V 8.90 4.64 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 0.80 0.00 0.00 1.11 0.00 0.00 7 R 8.60 5.09 0.00 1.87 1.77 0.00 3.15 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 8 D 9.09 5.10 0.00 2.71 2.51 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 0.00 0.00 0.00 0.00 9 H 8.52 5.13 0.00 3.31 3.19 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.73 4.98 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 1.06 2.29 0.93 0.00 0.00 *12 I 8.30 4.37 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.46 0.96 0.00 0.00 13 A 8.43 5.19 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 14 H 8.47 4.90 0.00 3.02 3.23 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.84 4.58 0.00 3.94 3.75 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 16 F 8.32 5.00 0.00 2.47 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 17 R 9.83 4.65 0.00 1.73 1.99 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 18 G 9.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.08 4.43 0.00 2.78 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 20 V 7.66 3.50 1.82 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 -0.13 0.00 0.00 0.61 0.00 0.00 21 F 8.40 4.49 0.00 3.37 3.26 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 0.00 22 G 7.78 3.80 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 0.00 0.00 0.00 23 P 0.00 4.29 0.00 2.24 2.34 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 24 A 8.29 4.21 1.65 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 0.00 0.00 25 Q 7.97 4.91 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.87 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 26 R 7.66 4.13 0.00 1.91 1.87 0.00 3.18 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 27 L 8.36 4.02 0.00 1.55 1.58 0.88 0.91 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 28 H 8.67 4.57 0.00 3.26 3.23 0.00 5.35 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.39 4.38 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 0.00 30 A 8.47 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.04 4.47 4.16 0.00 0.00 0.00 0.00 0.00 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 32 F 8.83 5.57 0.00 2.95 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 33 L 8.95 4.56 0.00 1.69 1.60 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 V 9.11 4.74 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 1.04 0.00 0.00 0.98 0.00 0.00 35 D 9.31 5.44 0.00 2.62 2.56 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 36 A 9.04 4.87 1.08 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 0.00 0.00 37 T 8.88 5.00 4.14 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 1.26 0.00 0.00 38 F 9.36 5.28 0.00 2.92 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 39 R 8.97 5.45 0.00 2.02 2.03 0.00 2.77 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 40 R 9.00 4.97 0.00 1.90 2.07 0.00 2.92 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 41 E 9.00 4.27 0.00 2.04 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 0.00 2.30 2.35 0.00 42 Q 7.76 4.76 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 43 L 7.99 3.92 0.00 1.37 1.24 0.67 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.60 4.67 0.00 2.83 2.79 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 45 E 8.56 4.05 0.00 1.96 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 2.29 2.26 0.00 46 D 8.28 4.54 0.00 2.75 2.66 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 47 N 8.23 4.22 0.00 2.81 2.89 0.00 0.00 6.86 7.56 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 48 I 7.42 4.63 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.92 0.00 0.00 49 V 8.38 3.55 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 0.96 0.00 0.00 0.98 0.00 0.00 50 V 7.41 4.10 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 0.31 0.00 0.00 0.68 0.00 0.00 51 D 8.13 4.36 0.00 2.63 2.57 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 52 I 8.29 3.73 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.89 0.00 0.00 53 G 8.16 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 0.00 0.00 0.00 54 L 8.13 3.96 0.00 1.76 1.65 0.94 0.82 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 55 A 8.28 3.72 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.57 3.83 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 1.23 0.00 0.00 57 Q 8.34 3.97 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 E 8.78 3.98 0.00 2.05 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 2.46 2.44 0.00 59 L 8.40 4.12 0.00 1.94 1.88 0.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.22 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 61 A 8.07 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 V 7.91 3.69 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 1.04 0.00 0.00 1.01 0.00 0.00 63 V 8.17 3.84 2.09 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 0.80 0.00 0.00 1.02 0.00 0.00 64 G 8.38 3.72 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 0.00 65 A 7.72 3.91 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 66 L 7.85 4.54 0.00 1.77 1.77 0.94 1.19 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 67 N 7.26 4.27 0.00 2.78 2.74 0.00 0.00 7.14 7.44 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 68 Y 8.04 3.91 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 69 R 7.48 4.65 0.00 2.06 1.82 0.00 3.28 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 70 N 8.55 5.13 0.00 2.73 2.73 0.00 0.00 7.05 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 71 L 9.18 4.36 0.00 1.74 1.84 0.85 1.13 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 72 D 8.25 4.45 0.00 2.87 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 73 N 7.99 4.73 0.00 2.88 2.85 0.00 0.00 6.97 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.97 4.41 0.00 2.38 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 0.00 2.55 2.60 0.00 75 P 0.00 4.20 0.00 2.10 2.07 0.00 3.53 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 76 D 7.85 4.19 0.00 1.58 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 7.88 5.03 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.49 4.05 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 79 G 9.10 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 80 V 7.61 4.20 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 0.06 0.00 0.00 0.94 0.00 0.00 81 N 8.48 4.45 0.00 2.63 2.59 0.00 0.00 7.04 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 82 T 8.29 4.37 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 0.86 0.00 0.00 83 S 7.51 4.41 0.00 4.15 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 84 T 8.54 3.54 4.29 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 1.24 0.00 0.00 85 E 8.09 3.94 0.00 2.18 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 0.00 2.39 2.33 0.00 86 F 8.10 4.02 0.00 3.13 3.19 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 87 L 8.19 3.57 0.00 1.45 1.37 0.67 0.50 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 88 A 7.87 3.86 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 89 K 7.30 3.21 0.00 0.79 1.30 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.90 0.87 7.81 90 V 7.20 3.31 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 1.05 0.00 0.00 0.27 0.00 0.00 91 I 7.70 3.66 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 0.89 0.00 0.00 92 A 8.16 3.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.32 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.19 3.96 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 95 L 8.33 4.00 0.00 1.90 1.83 0.91 0.83 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 96 A 8.24 3.94 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 97 E 8.20 3.91 0.00 2.16 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 2.55 2.52 0.00 98 R 8.00 3.95 0.00 2.05 1.99 0.00 3.25 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 99 V 8.03 3.59 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 1.11 0.00 0.00 1.08 0.00 0.00 100 H 8.03 4.33 0.00 3.32 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.99 4.28 0.00 1.94 1.95 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.51 7.81 102 G 7.96 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 0.00 0.00 0.00 103 A 8.00 4.03 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 0.00 104 L 8.01 4.41 0.00 1.54 1.53 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.04 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.82 4.07 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 107 G 8.09 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 0.00 108 A 7.82 4.18 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 0.00 109 R 7.78 4.22 0.00 1.94 2.03 0.00 3.17 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 110 G 7.76 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.18 4.25 0.00 1.81 1.72 1.09 0.98 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 0.00 112 A 9.06 4.26 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 0.00 113 G 7.64 4.49 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 0.00 0.00 0.00 114 L 8.35 5.19 0.00 1.51 1.54 0.86 1.07 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 0.00 115 T 8.71 4.97 4.16 0.00 0.00 0.00 0.00 0.00 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 V 8.80 4.75 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 1.02 0.00 0.00 0.88 0.00 0.00 117 T 8.97 5.10 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 1.27 0.00 0.00 118 L 9.02 5.27 0.00 1.50 1.52 0.83 0.13 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 0.00 119 H 9.45 5.45 0.00 3.10 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.48 4.51 0.00 2.24 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 2.59 2.36 0.00 121 S 7.52 4.62 0.00 4.10 3.97 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 0.00 122 H 9.16 4.56 0.00 3.35 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.98 4.57 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 0.48 0.00 0.00 0.89 0.00 0.00 124 A 8.03 4.55 1.26 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 0.00 0.00 0.00 125 W 7.94 5.83 0.00 3.19 3.02 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 0.00 126 A 9.51 5.00 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 0.00 127 S 8.50 5.19 0.00 3.93 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 0.00 128 Y 9.17 4.80 0.00 2.91 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 0.00 129 E 8.32 5.01 0.00 1.85 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 130 R 8.59 4.59 0.00 1.80 1.63 0.00 3.15 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 131 A 8.53 4.58 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 0.00 132 L 8.38 4.29 0.00 1.69 1.66 1.06 0.70 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 * Residues marked with a * may have inaccurate shift predictions.