NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3872 8.1685 120.0726 56.3415 34.0376 174.1587 3 A 4.9536 8.3864 126.3649 49.6594 22.7458 172.7296 4 D 5.4487 9.6961 121.4718 52.5913 45.8848 173.2048 5 I 4.9889 9.2864 123.6386 59.8260 39.5687 174.4719 6 L 5.0489 9.5111 127.8747 52.9702 44.3249 175.4911 7 L 5.1219 8.6166 124.2573 53.3012 43.6906 175.4652 8 V 4.7357 9.0226 125.2611 61.3081 33.9212 174.5740 9 S 5.1231 8.2327 119.9717 58.0912 65.7153 174.4097 10 H 4.4875 9.0948 119.8847 57.6448 29.6981 175.5079 11 S 4.9008 8.1180 114.0565 56.2877 63.2617 175.4834 12 K 4.0565 8.3521 132.2618 56.5131 31.6571 178.7683 *14 I 4.1151 7.9386 119.1080 61.3929 39.4085 178.6058 15 T 3.9395 7.5832 110.6434 64.8273 68.3669 176.2803 16 D 4.4353 8.4502 122.0088 57.0966 40.6522 178.8338 17 G 3.6313 8.0117 104.5087 47.8290 0.0000 175.2630 18 I 3.8503 7.8778 121.5828 63.8930 37.3903 178.1310 19 K 4.1017 7.8815 120.0612 59.4689 32.0706 178.7754 20 E 4.0962 8.1449 115.9299 57.5022 29.4605 178.1137 *22 I 4.2227 7.6180 119.1082 61.2587 39.0908 177.7727 23 E 3.9754 8.2692 118.2592 59.4976 29.4594 178.0452 24 Q 4.1928 7.7579 119.6766 56.4232 28.6400 175.8695 *26 N 4.5748 8.1174 110.0869 52.9686 40.1369 175.3526 27 A 4.4032 8.0059 119.9737 52.5993 19.0086 178.5301 28 S 4.7606 7.4866 110.5290 57.9189 63.4562 175.3432 29 E 4.0875 8.5708 124.1754 60.1799 29.6497 178.3956 30 E 4.7302 7.8751 113.5791 54.7339 30.9634 179.8884 31 I 4.7136 7.4392 117.7070 61.0748 41.2130 173.7338 32 T 4.4515 8.6471 125.5724 62.6455 70.0757 173.6442 33 I 4.8842 8.2781 126.5645 59.8454 39.7976 174.5177 34 H 4.8314 9.3411 124.1681 53.9512 31.3076 173.4875 35 S 4.4784 8.8507 119.0540 57.5777 62.3669 173.0185 36 L 4.8066 8.4302 127.7540 54.3517 42.5093 177.6230 37 G 3.6352 8.1448 108.1991 46.3904 0.0000 175.1955 38 G 3.9528 8.4134 106.5576 45.0694 0.0000 173.2157 39 T 4.3104 8.3559 110.2057 60.0401 69.9670 175.7172 40 S 4.1447 8.6254 116.0041 60.7277 62.5916 174.7114 41 D 4.7801 7.8879 117.8194 52.7655 39.6849 176.7441 42 G 3.9801 8.5461 109.4914 45.6641 0.0000 174.7715 43 S 4.2259 7.7535 115.7691 58.2661 63.4092 173.7524 44 L 4.4253 8.4586 122.9471 54.3862 41.5494 177.5043 45 G 3.9332 6.9631 112.5976 44.6805 0.0000 170.8042 46 S 4.7014 7.3573 112.2695 56.4171 66.1285 173.6837 47 D 4.8258 8.4482 122.4406 51.6385 43.4363 175.8194 48 P 4.9811 0.0000 0.0000 61.9591 30.4074 177.9776 *50 K 4.2281 8.0095 119.4124 57.6787 34.6268 178.9536 51 I 3.6835 7.7569 118.8554 64.5106 37.1101 178.0198 52 I 3.6091 7.6423 120.4278 64.7104 36.9115 177.9463 53 D 4.3571 8.0834 118.7166 57.8502 40.6209 178.9922 54 T 3.8044 7.8593 115.8027 66.8536 68.2757 176.5923 55 I 3.0135 7.6029 120.3259 64.3758 37.1427 178.1240 56 N 4.4492 8.4008 116.3482 55.7993 38.4120 176.6261 57 E 4.2884 8.2977 118.3982 56.4606 30.0979 176.5403 58 A 4.4981 7.0456 121.4578 50.8907 19.4771 176.7893 59 D 4.6358 8.3850 118.8841 54.6023 41.3572 178.0479 60 S 4.2799 8.6158 116.5392 60.0794 63.1429 174.6502 61 D 4.8066 7.4719 119.4044 53.0211 39.4380 176.1152 62 R 4.5269 7.5246 117.5242 55.3372 32.2329 175.4815 63 E 4.3626 8.9571 122.5802 55.3646 31.4818 175.1782 64 F 5.2162 9.2991 123.9879 55.8864 41.5116 174.6239 65 L 4.9248 9.0851 125.4780 53.3466 43.4859 175.7741 66 I 4.7596 8.6268 126.2320 59.7554 39.0789 174.7557 67 F 5.1105 9.6781 126.5152 55.6148 41.4414 174.8756 68 A 5.6589 8.7990 123.2568 49.4718 21.9909 174.9608 69 D 4.6579 8.9042 118.0613 54.7159 40.3617 176.1859 70 L 4.5531 7.6052 118.0789 53.3727 47.2217 178.8972 71 G 3.9458 8.3009 111.5051 47.2290 0.0000 178.0908 72 S 4.3097 8.8826 122.1570 59.6479 63.9045 175.8582 73 A 4.0050 8.0059 124.2227 55.2357 18.1586 179.6919 74 V 3.5255 7.7279 116.0667 66.0369 31.7533 177.6269 75 L 3.9527 7.6418 120.0966 58.4525 41.8203 178.8980 76 S 4.2202 8.6467 113.1870 61.5986 61.9506 176.3392 77 S 4.3377 8.3365 117.8997 61.4112 62.5524 176.4974 78 E 4.0743 8.1119 121.0301 59.3349 29.1608 179.2171 79 L 4.0790 8.3253 118.0686 57.4444 41.6654 179.1188 80 A 4.0847 7.6796 120.2349 54.8973 18.3731 178.8963 81 F 3.3644 7.2850 117.9682 61.1088 39.7624 178.8830 82 D 4.2813 7.4890 118.7785 53.5772 40.1161 176.7281 *84 L 3.9643 7.6832 116.7922 54.0931 43.2653 177.6153 85 E 4.0687 8.4896 120.3132 56.1929 31.3697 178.2535 86 E 3.9835 8.5607 121.3442 59.6031 29.5458 178.6848 87 D 4.4774 8.0664 117.4114 56.8458 39.6114 178.2242 88 Q 4.2610 7.8498 118.6367 58.5881 28.9064 178.1584 89 Q 3.9686 7.8723 118.9132 58.7472 28.4562 178.6597 90 K 4.1532 7.6508 118.1005 58.7174 32.3865 176.8396 91 H 5.1416 7.9429 114.5813 55.6409 30.2561 173.0330 92 Y 5.1383 8.0548 120.9907 56.2342 40.4954 174.7037 93 H 4.8545 9.0599 124.4011 53.7714 31.9271 173.1574 94 L 4.2437 8.5631 124.6498 54.3980 42.0875 177.0412 95 V 3.7624 7.8859 125.8257 61.1809 32.0434 176.3388 96 D 4.5562 8.5476 128.9688 53.0817 39.2234 174.2181 97 A 4.7184 7.4999 123.9337 49.5046 22.4773 174.8192 98 P 4.4834 0.0000 0.0000 62.3332 32.1102 176.8715 99 L 4.0081 8.4906 121.8536 58.7750 42.5906 179.4383 100 V 3.5193 7.7268 116.9213 66.1725 31.7142 177.9589 101 E 4.1107 8.1331 117.8997 59.1414 29.3821 179.3094 102 G 3.8316 8.3942 105.7596 47.9632 0.0000 175.3946 103 A 2.8283 7.1814 123.6425 54.2192 18.1865 179.5301 104 F 3.9302 8.1580 118.7716 61.1840 39.4918 177.1113 105 A 3.8193 8.1147 120.3242 55.3231 18.1223 179.5048 106 S 4.0592 8.6458 113.7004 61.9778 62.7603 177.0765 107 A 3.8839 8.0102 122.1165 55.1038 18.5590 179.2355 108 I 3.5870 7.6269 117.3856 63.5719 37.8438 177.6728 109 T 4.1520 7.6077 109.4271 63.4207 68.8092 176.6414 110 A 4.3294 7.6590 122.9528 54.2904 18.3846 178.6578 111 G 3.8953 7.2279 101.5943 45.1241 0.0000 174.4339 112 V 4.3177 7.3664 118.2292 62.5511 34.2223 175.4174 113 S 4.6229 8.4461 112.7564 56.4448 65.0119 172.7981 114 D 4.5008 8.6964 124.7492 54.3842 41.3969 175.7659 115 D 4.7655 8.0847 118.4485 52.7501 42.7778 175.8144 116 L 3.9254 8.4030 129.8105 58.3566 42.1182 178.7032 117 T 3.8230 8.1274 115.8873 66.6954 68.4048 176.3210 118 Q 3.9665 8.1515 120.8863 59.0700 29.3682 177.7854 119 I 3.9319 7.7827 122.2857 63.8806 37.2056 178.4020 120 L 4.1203 8.1725 119.5911 57.4637 41.2293 179.3709 121 A 4.0111 7.8741 120.1797 54.9651 18.6027 179.1602 122 E 4.0357 8.3133 116.8990 59.5395 29.5663 179.1698 123 A 4.0439 7.5520 119.3874 55.6799 18.3376 179.6310 124 Q 4.2427 7.6230 115.3629 57.6537 28.8939 178.2133 125 N 4.7860 7.7085 115.1419 53.1841 38.8789 176.1209 126 A 4.3090 8.2793 124.7054 54.7164 18.5445 180.0346 127 G 3.6798 8.1573 104.9050 47.6908 0.0000 173.4726 128 K 4.4422 7.2380 117.5767 55.1401 33.6764 176.3660 129 K 4.0884 7.8551 116.3909 54.9573 33.8511 176.6570 130 G 3.7582 8.1443 106.1656 46.7454 0.0000 172.8879 131 W 5.1829 7.7896 122.0253 56.1245 32.3653 176.6614 132 N 4.4032 8.5641 115.2597 53.5804 37.7960 170.2237 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 K 8.17 4.39 0.00 1.85 1.72 0.00 1.53 0.00 0.00 2.04 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.41 7.81 3 A 8.39 4.95 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 4 D 9.70 5.45 0.00 2.86 2.78 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 5 I 9.29 4.99 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.83 0.00 0.00 6 L 9.51 5.05 0.00 1.63 1.62 1.14 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.62 5.12 0.00 1.70 1.63 0.91 0.63 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 8 V 9.02 4.74 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 1.03 0.00 0.00 9 S 8.23 5.12 0.00 3.94 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 10 H 9.09 4.49 0.00 3.14 3.36 0.00 5.95 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 11 S 8.12 4.90 0.00 3.89 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 12 K 8.35 4.06 0.00 1.98 1.76 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.47 7.81 *14 I 7.94 4.12 2.02 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 0.53 0.92 0.00 0.00 15 T 7.58 3.94 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 1.33 0.00 0.00 16 D 8.45 4.44 0.00 2.77 2.76 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 0.00 0.00 0.00 0.00 17 G 8.01 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.85 1.99 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 1.39 0.78 0.87 0.00 0.00 19 K 7.88 4.10 0.00 1.86 2.04 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.58 7.81 20 E 8.14 4.10 0.00 2.06 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 0.00 2.31 2.36 0.00 *22 I 7.62 4.22 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 0.92 0.00 0.00 23 E 8.27 3.98 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 2.34 2.40 0.00 24 Q 7.76 4.19 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 *26 N 8.12 4.57 0.00 2.79 3.05 0.00 0.00 7.12 7.35 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 27 A 8.01 4.40 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 28 S 7.49 4.76 0.00 3.89 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 29 E 8.57 4.09 0.00 1.95 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 2.30 2.42 0.00 30 E 7.88 4.73 0.00 1.94 1.76 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 0.00 2.11 1.81 0.00 31 I 7.44 4.71 1.83 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 1.33 1.16 0.86 0.00 0.00 32 T 8.65 4.45 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 1.12 0.00 0.00 33 I 8.28 4.88 1.85 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 1.31 0.82 0.90 0.00 0.00 34 H 9.34 4.83 0.00 3.05 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.85 4.48 0.00 3.90 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 36 L 8.43 4.81 0.00 1.74 1.65 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.14 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 38 G 8.41 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 0.00 0.00 0.00 39 T 8.36 4.31 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 1.15 0.00 0.00 40 S 8.63 4.14 0.00 3.99 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 41 D 7.89 4.78 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 43 S 7.75 4.23 0.00 3.97 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 44 L 8.46 4.43 0.00 1.65 1.68 0.94 0.96 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 45 G 6.96 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 46 S 7.36 4.70 0.00 3.83 3.76 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 0.00 0.00 0.00 0.00 47 D 8.45 4.83 0.00 2.58 2.52 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 48 P 0.00 4.98 0.00 2.27 2.41 0.00 3.95 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 *50 K 8.01 4.23 0.00 2.00 1.95 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 51 I 7.76 3.68 2.08 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 1.69 0.67 1.08 0.00 0.00 52 I 7.64 3.61 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.75 0.86 0.00 0.00 53 D 8.08 4.36 0.00 2.66 2.88 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 54 T 7.86 3.80 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 0.96 0.00 0.00 55 I 7.60 3.01 1.74 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.60 0.51 0.00 0.00 56 N 8.40 4.45 0.00 2.71 2.85 0.00 0.00 7.08 7.70 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 57 E 8.30 4.29 0.00 2.02 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 2.32 2.31 0.00 58 A 7.05 4.50 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.39 4.64 0.00 2.77 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 60 S 8.62 4.28 0.00 3.89 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 61 D 7.47 4.81 0.00 2.63 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 62 R 7.52 4.53 0.00 0.67 1.35 0.00 3.25 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.49 0.00 63 E 8.96 4.36 0.00 1.77 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 2.33 2.40 0.00 64 F 9.30 5.22 0.00 2.90 2.88 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 65 L 9.09 4.92 0.00 1.82 1.57 0.99 0.52 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 66 I 8.63 4.76 1.49 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.40 0.88 0.00 0.00 67 F 9.68 5.11 0.00 2.86 2.98 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 68 A 8.80 5.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.90 4.66 0.00 2.83 2.90 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 70 L 7.61 4.55 0.00 1.64 1.51 0.91 0.91 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 71 G 8.30 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 0.00 0.00 0.00 72 S 8.88 4.31 0.00 4.06 4.21 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 73 A 8.01 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.73 3.53 2.27 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 1.06 0.00 0.00 0.95 0.00 0.00 75 L 7.64 3.95 0.00 1.76 1.81 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.65 4.22 0.00 3.91 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 0.00 77 S 8.34 4.34 0.00 4.17 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 78 E 8.11 4.07 0.00 2.21 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 2.32 2.52 0.00 79 L 8.33 4.08 0.00 1.59 1.74 0.93 0.80 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 80 A 7.68 4.08 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 81 F 7.28 3.36 0.00 2.43 3.16 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 0.00 82 D 7.49 4.28 0.00 2.84 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 *84 L 7.68 3.96 0.00 1.36 1.54 0.52 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.49 4.07 0.00 2.04 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 2.28 2.43 0.00 86 E 8.56 3.98 0.00 1.98 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 2.30 0.00 87 D 8.07 4.48 0.00 2.88 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 88 Q 7.85 4.26 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 89 Q 7.87 3.97 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 90 K 7.65 4.15 0.00 1.77 1.91 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.44 7.81 91 H 7.94 5.14 0.00 3.38 3.56 0.00 5.63 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 92 Y 8.05 5.14 0.00 3.21 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 93 H 9.06 4.85 0.00 2.94 3.12 0.00 5.67 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 94 L 8.56 4.24 0.00 1.45 1.55 0.82 1.09 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 95 V 7.89 3.76 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 0.00 0.00 0.55 0.00 0.00 0.31 0.00 0.00 96 D 8.55 4.56 0.00 2.67 2.52 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 97 A 7.50 4.72 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 98 P 0.00 4.48 0.00 2.43 2.22 0.00 3.78 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 2.10 1.97 0.00 99 L 8.49 4.01 0.00 1.97 1.72 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.73 3.52 2.05 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 0.96 0.00 0.00 0.92 0.00 0.00 101 E 8.13 4.11 0.00 2.10 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 2.33 2.36 0.00 102 G 8.39 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 0.00 103 A 7.18 2.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.16 3.93 0.00 3.11 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 0.00 105 A 8.11 3.82 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.65 4.06 0.00 3.98 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 0.00 107 A 8.01 3.88 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 0.00 108 I 7.63 3.59 1.10 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 1.04 1.28 0.67 0.00 0.00 109 T 7.61 4.15 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 0.00 110 A 7.66 4.33 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 0.00 111 G 7.23 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 0.00 0.00 0.00 112 V 7.37 4.32 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 0.81 0.00 0.00 0.89 0.00 0.00 113 S 8.45 4.62 0.00 3.73 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 0.00 114 D 8.70 4.50 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.77 0.00 2.68 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 0.00 116 L 8.40 3.93 0.00 1.75 1.61 0.83 0.72 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 0.00 117 T 8.13 3.82 4.32 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 1.20 0.00 0.00 118 Q 8.15 3.97 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 119 I 7.78 3.93 1.84 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 1.50 1.76 0.91 0.00 0.00 120 L 8.17 4.12 0.00 1.86 1.67 0.79 0.77 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 0.00 121 A 7.87 4.01 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 0.00 122 E 8.31 4.04 0.00 1.99 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 2.50 2.46 0.00 123 A 7.55 4.04 1.61 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 0.00 124 Q 7.62 4.24 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 125 N 7.71 4.79 0.00 2.97 2.84 0.00 0.00 6.95 7.51 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 0.00 126 A 8.28 4.31 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 0.00 127 G 8.16 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 0.00 128 K 7.24 4.44 0.00 1.75 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.52 7.81 129 K 7.86 4.09 0.00 0.79 0.74 0.00 1.22 0.00 0.00 1.28 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.96 0.53 7.81 130 G 8.14 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 7.79 5.18 0.00 3.32 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 0.00 132 N 8.56 4.40 0.00 2.68 2.50 0.00 0.00 6.41 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 * Residues marked with a * may have inaccurate shift predictions.