NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.2838 8.2649 123.5779 51.7873 19.9486 176.8759 13 E 3.9515 8.8508 123.2166 58.2783 29.7728 172.1849 14 V 4.4108 7.3541 109.0222 58.4841 36.5147 175.2767 15 N 4.5109 8.4741 119.9604 53.3473 39.0046 175.7109 16 L 4.0181 8.4013 129.5701 57.5676 41.9717 179.0839 17 D 4.3564 8.1608 118.6437 57.3258 40.8552 178.3323 18 E 3.9475 8.2864 118.7159 59.4792 29.4612 179.1573 19 L 3.9608 8.1493 120.1163 58.1989 42.0888 178.8601 20 A 4.0060 8.4175 121.0552 55.2006 18.0629 179.6282 21 Q 3.9484 7.7625 115.2531 59.1395 28.8666 178.6359 22 E 4.1151 7.9774 118.3877 59.4707 29.8005 179.0798 23 L 4.2894 8.5787 119.0160 56.6931 41.5454 179.5645 24 G 3.9896 7.8880 105.8323 47.6165 0.0000 173.6947 25 P 4.3643 0.0000 0.0000 63.6682 32.5576 177.0168 26 I 4.1525 7.6426 112.3036 59.2035 36.8496 175.2420 *28 G 3.7479 7.3991 110.6205 45.7324 0.0000 172.1319 29 D 4.4077 8.8047 120.7984 56.4874 40.9177 177.3981 30 N 4.9646 8.0052 114.7579 52.2995 37.8175 173.4457 31 E 4.8440 7.9623 119.4963 55.4850 31.4959 174.8068 32 Q 4.7195 9.0917 122.6409 54.1733 32.5006 174.3199 33 L 4.4578 8.6776 120.5813 55.4268 42.0774 175.7183 34 A 4.7365 9.3299 124.0126 53.1765 20.6361 176.7299 35 L 4.7956 7.7371 112.8608 53.5005 46.5523 174.4897 36 A 5.3463 8.1757 121.2924 50.7243 22.5410 175.0829 37 Y 4.8978 9.0069 117.2033 56.1516 41.5370 175.9206 38 R 4.3454 9.8349 124.0881 56.1731 31.1187 177.3080 39 V 4.2720 8.4570 122.5924 61.7420 32.6856 177.7579 40 I 3.1344 7.7898 128.8790 62.1614 36.4778 176.8334 41 R 4.1918 8.9669 130.8856 58.5988 30.9712 175.6662 42 D 4.9454 7.6931 119.8406 53.3393 42.3267 174.7448 *44 F 4.8520 8.4325 120.2818 58.5630 40.8800 174.2881 45 V 4.5468 8.8151 124.9837 61.1531 33.6830 174.2836 46 F 5.1281 9.6658 128.1393 56.4624 40.5995 175.6697 47 T 4.7748 8.1840 116.2273 59.9922 71.0272 174.1509 48 N 4.8649 8.7643 117.8807 54.8669 37.3457 176.0304 49 K 4.7392 8.4699 118.1479 56.7011 35.6500 175.9606 50 R 3.8948 7.0506 114.0541 54.4391 33.1239 173.5762 51 L 4.3850 8.1095 122.6804 53.9368 43.8334 175.0934 52 I 4.6955 8.5396 127.5674 59.5986 39.5034 174.6256 53 L 4.3993 8.7065 128.6863 53.6136 42.6362 175.9814 54 I 4.4442 8.2099 125.8363 59.7970 38.9220 174.3822 55 D 5.2939 8.7989 127.6258 52.2687 43.8708 175.4780 56 K 5.0833 9.1425 122.3989 54.7320 34.2904 175.6935 57 Q 4.5617 9.1188 122.0965 55.2988 32.5400 176.4806 58 G 3.9513 8.8229 106.8124 45.3032 0.0000 174.8905 59 V 3.6944 8.0720 112.1694 63.9494 31.6802 177.9437 60 T 4.0974 7.9326 108.4731 61.5956 69.3261 175.2523 61 G 3.9553 7.7176 109.5931 46.1802 0.0000 175.0980 62 K 3.9784 7.7946 121.7911 58.6072 33.0976 176.7472 63 K 4.3202 7.9143 121.7423 55.3829 32.9583 175.5670 64 V 4.9759 8.4112 127.5649 60.9394 34.2989 174.5807 65 S 4.8574 9.0329 121.9865 56.7170 66.0646 172.5542 66 Y 4.7614 8.8421 120.4828 56.7953 39.5718 174.5415 67 H 4.7730 9.0288 125.9976 54.4932 31.9790 173.0580 68 S 4.9790 8.6659 122.4905 57.1621 64.3989 174.0970 69 V 4.1912 8.5826 125.4736 60.1046 33.3746 172.9836 70 P 4.4429 0.0000 0.0000 62.3806 32.2293 177.5854 71 Y 4.4226 8.1307 120.8393 61.1061 37.9803 178.9738 72 K 4.1415 8.2309 117.1521 58.9475 32.9414 177.2669 73 A 4.4016 8.1432 122.0620 52.5772 19.4194 176.6738 74 I 4.5062 7.7169 118.1263 61.2926 37.6762 175.6084 75 T 4.5746 8.9598 116.8670 63.8753 69.8675 174.4519 76 H 5.2539 8.2338 116.3587 54.1359 32.3858 171.3228 77 F 5.8466 8.0656 112.3352 56.3493 40.8470 173.0020 78 E 4.9164 9.5997 119.6418 54.9158 33.4455 173.7604 79 V 5.0476 8.5777 125.2005 61.1549 34.2690 174.1061 80 E 4.9257 9.0188 127.7877 54.1340 33.2537 174.9209 81 T 4.5508 8.5685 115.1538 62.4321 69.7434 172.6465 82 A 4.4540 8.8319 123.7780 52.1240 23.9045 176.7471 83 G 3.8485 8.7269 107.7470 44.6760 0.0000 172.8335 84 T 4.0744 8.3988 115.2415 65.0175 68.4702 173.8913 85 F 3.6366 9.6920 127.4080 58.8088 37.9077 173.5506 86 D 4.5348 7.5920 119.6096 53.1608 37.8658 172.6105 *88 D 4.6072 7.8417 122.4622 54.0736 43.2406 173.4777 89 A 5.1785 8.7147 119.2610 50.7095 23.4671 174.8339 90 E 4.9042 9.3047 119.8992 54.3612 33.0970 174.1046 91 L 5.1698 9.0442 129.4490 53.5356 44.5158 174.9267 92 K 4.7998 9.2017 125.6868 54.4517 35.0715 174.8815 93 L 5.0691 8.7086 125.5577 52.7636 44.2497 175.7825 94 W 4.8760 9.1689 124.4861 55.8010 31.3236 175.6554 95 I 5.1524 8.2633 122.8845 59.0771 40.7250 174.9438 96 S 4.1919 9.1912 120.8867 60.4878 62.4507 174.8038 97 G 4.0550 9.6895 115.1048 45.4086 0.0000 172.7315 98 Q 4.6329 7.7107 115.5491 54.0410 31.8324 175.2540 99 K 4.1862 8.8606 121.2441 59.2961 32.6388 177.0408 100 D 4.8693 7.8798 117.4069 52.5447 41.9892 174.3588 101 P 4.2841 0.0000 0.0000 61.9349 32.8304 175.4645 102 L 4.0301 8.6340 124.4629 55.0440 43.0132 175.5513 103 V 4.7443 8.2569 126.3024 60.9357 33.6589 174.4538 104 K 4.5962 9.1561 128.9460 54.4059 35.2027 174.5038 105 E 4.4719 8.9677 128.9761 56.1159 30.6608 175.8919 106 L 4.5744 9.1150 127.6534 52.7542 43.4761 176.1633 107 K 4.6087 8.3271 123.4232 55.2408 33.7166 176.7419 108 K 3.9636 8.6193 123.9180 58.4523 32.5595 175.7663 109 G 4.1867 8.9571 112.9311 46.3572 0.0000 174.6124 110 T 4.0069 7.3627 115.2516 63.4596 69.2365 175.3035 111 D 4.6061 8.2680 124.6005 53.2822 38.9568 176.9997 112 V 3.4398 7.6050 123.4495 65.2533 32.1080 177.0701 113 V 3.6274 7.7523 117.6874 65.9751 31.4046 178.0299 114 G 3.6113 8.3881 105.3886 47.8845 0.0000 175.6035 115 I 3.1640 7.2304 122.2840 63.9048 37.0359 178.5221 116 Q 3.9570 7.9209 118.7817 58.9208 28.5134 178.7843 117 K 3.9088 7.9999 120.5151 59.8872 32.1955 178.9844 118 T 3.7666 7.9482 116.0467 66.3933 68.2676 176.7916 119 I 3.7060 7.8379 121.7957 64.2932 36.7551 178.1270 120 A 4.0723 7.8630 121.3852 55.5139 18.0246 179.4611 121 N 4.0859 8.1157 113.6863 55.9044 38.6344 176.8646 122 F 4.3165 7.8852 116.9711 57.6021 39.6711 177.0663 123 S 4.7521 8.0689 111.5650 57.8986 64.0070 173.9867 124 L 4.3740 7.5687 127.2982 55.0126 41.6676 176.0293 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 12 A 8.26 4.28 1.24 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 0.00 0.00 13 E 8.85 3.95 0.00 2.00 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 2.31 2.27 0.00 14 V 7.35 4.41 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 0.70 0.00 0.00 0.92 0.00 0.00 15 N 8.47 4.51 0.00 2.75 2.73 0.00 0.00 6.95 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 16 L 8.40 4.02 0.00 1.73 1.71 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.16 4.36 0.00 2.84 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 18 E 8.29 3.95 0.00 2.20 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 2.33 0.00 19 L 8.15 3.96 0.00 1.85 1.83 0.95 1.29 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 20 A 8.42 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.76 3.95 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 22 E 7.98 4.12 0.00 2.12 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 2.36 2.51 0.00 23 L 8.58 4.29 0.00 1.67 1.70 0.96 0.93 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 24 G 7.89 3.99 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 0.00 0.00 0.00 25 P 0.00 4.36 0.00 1.97 2.10 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 26 I 7.64 4.15 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.73 0.00 0.00 *28 G 7.40 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 0.00 0.00 0.00 29 D 8.80 4.41 0.00 2.67 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 30 N 8.01 4.96 0.00 2.81 2.87 0.00 0.00 5.85 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 31 E 7.96 4.84 0.00 1.94 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 2.22 2.37 0.00 32 Q 9.09 4.72 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 33 L 8.68 4.46 0.00 1.58 1.67 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.33 4.74 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 35 L 7.74 4.80 0.00 1.66 1.34 0.95 0.72 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 36 A 8.18 5.35 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 9.01 4.90 0.00 2.88 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 38 R 9.83 4.35 0.00 1.90 2.03 0.00 3.11 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 39 V 8.46 4.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.55 0.00 0.00 40 I 7.79 3.13 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.91 0.00 0.00 41 R 8.97 4.19 0.00 1.76 1.94 0.00 3.22 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 42 D 7.69 4.95 0.00 2.93 2.83 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 *44 F 8.43 4.85 0.00 3.10 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 45 V 8.82 4.55 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 0.79 0.00 0.00 0.96 0.00 0.00 46 F 9.67 5.13 0.00 3.15 2.68 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 47 T 8.18 4.77 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 1.18 0.00 0.00 48 N 8.76 4.86 0.00 2.94 3.12 0.00 0.00 6.76 6.59 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 49 K 8.47 4.74 0.00 1.60 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.37 7.81 50 R 7.05 3.89 0.00 1.60 1.67 0.00 2.82 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 51 L 8.11 4.39 0.00 1.47 1.27 -0.23 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.54 4.70 1.80 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 1.15 0.41 0.97 0.00 0.00 53 L 8.71 4.40 0.00 1.36 1.40 0.61 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.21 4.44 1.71 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 0.96 1.08 0.32 0.00 0.00 55 D 8.80 5.29 0.00 2.56 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 56 K 9.14 5.08 0.00 1.57 1.67 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.32 7.81 57 Q 9.12 4.56 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.37 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 58 G 8.82 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 59 V 8.07 3.69 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 0.75 0.00 0.00 0.93 0.00 0.00 60 T 7.93 4.10 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 1.21 0.00 0.00 61 G 7.72 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 62 K 7.79 3.98 0.00 1.83 1.96 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81 63 K 7.91 4.32 0.00 1.86 1.74 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 64 V 8.41 4.98 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 0.70 0.00 0.00 0.96 0.00 0.00 65 S 9.03 4.86 0.00 3.86 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 66 Y 8.84 4.76 0.00 2.74 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 67 H 9.03 4.77 0.00 3.13 3.01 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.67 4.98 0.00 3.74 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 69 V 8.58 4.19 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.75 0.00 0.00 70 P 0.00 4.44 0.00 2.19 1.88 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 71 Y 8.13 4.42 0.00 3.14 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 72 K 8.23 4.14 0.00 2.19 2.04 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.01 7.81 73 A 8.14 4.40 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.72 4.51 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 1.14 0.00 0.00 75 T 8.96 4.57 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 1.34 0.00 0.00 76 H 8.23 5.25 0.00 3.12 3.32 0.00 5.67 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 77 F 8.07 5.85 0.00 3.28 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 78 E 9.60 4.92 0.00 2.43 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 0.00 2.33 2.38 0.00 79 V 8.58 5.05 2.16 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 0.91 0.00 0.00 1.06 0.00 0.00 80 E 9.02 4.93 0.00 2.09 1.73 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 2.20 2.24 0.00 81 T 8.57 4.55 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 1.19 0.00 0.00 82 A 8.83 4.45 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 83 G 8.73 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 84 T 8.40 4.07 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 1.27 0.00 0.00 85 F 9.69 3.64 0.00 3.03 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 86 D 7.59 4.53 0.00 2.72 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 *88 D 7.84 4.61 0.00 2.67 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 89 A 8.71 5.18 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 90 E 9.30 4.90 0.00 1.97 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 2.16 2.20 0.00 91 L 9.04 5.17 0.00 1.84 1.71 1.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.20 4.80 0.00 1.29 0.74 0.00 1.83 0.00 0.00 1.22 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.07 1.25 7.81 93 L 8.71 5.07 0.00 1.41 1.55 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.17 4.88 0.00 3.37 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 95 I 8.26 5.15 1.92 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 1.26 1.13 0.95 0.00 0.00 96 S 9.19 4.19 0.00 3.91 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 97 G 9.69 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.71 4.63 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 99 K 8.86 4.19 0.00 1.80 1.93 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.54 7.81 100 D 7.88 4.87 0.00 2.72 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 0.00 101 P 0.00 4.28 0.00 1.17 0.49 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.37 0.00 102 L 8.63 4.03 0.00 1.64 1.55 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.26 4.74 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 0.78 0.00 0.00 0.83 0.00 0.00 104 K 9.16 4.60 0.00 1.87 1.74 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.78 1.54 7.81 105 E 8.97 4.47 0.00 2.00 1.84 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 2.28 2.39 0.00 106 L 9.12 4.57 0.00 1.49 1.45 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.33 4.61 0.00 1.70 1.71 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.42 7.81 108 K 8.62 3.96 0.00 1.83 1.74 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 109 G 8.96 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 0.00 0.00 0.00 0.00 110 T 7.36 4.01 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 1.02 0.00 0.00 111 D 8.27 4.61 0.00 2.87 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 0.00 112 V 7.60 3.44 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 0.94 0.00 0.00 0.91 0.00 0.00 113 V 7.75 3.63 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 0.98 0.00 0.00 0.92 0.00 0.00 114 G 8.39 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 0.00 115 I 7.23 3.16 1.74 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.32 0.99 0.00 0.00 116 Q 7.92 3.96 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 117 K 8.00 3.91 0.00 1.81 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.45 7.81 118 T 7.95 3.77 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 0.38 0.00 0.00 119 I 7.84 3.71 1.72 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 1.69 0.93 -0.06 0.00 0.00 120 A 7.86 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 0.00 121 N 8.12 4.09 0.00 2.62 2.32 0.00 0.00 7.07 7.91 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 0.00 122 F 7.89 4.32 0.00 2.56 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 0.00 123 S 8.07 4.75 0.00 4.11 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 0.00 124 L 7.57 4.37 0.00 1.74 1.64 1.04 0.92 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 * Residues marked with a * may have inaccurate shift predictions.