NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2914 8.3149 121.7844 56.7188 32.6912 173.5771 4 T 4.3434 8.2112 121.7673 62.0977 71.3467 172.1015 5 R 4.1371 7.2031 117.7100 53.9760 33.6784 175.0342 6 G 3.0938 5.3800 105.1655 45.6199 0.0000 170.9632 7 F 5.5297 8.0570 116.8291 55.8225 42.0422 175.0990 8 E 4.9993 9.3004 119.8301 54.3451 34.0320 175.1837 9 L 4.7105 8.6831 122.7211 54.7768 42.5950 177.3614 10 I 4.2200 8.6599 116.9084 60.3553 38.4568 177.2070 11 T 3.9213 8.5856 111.6404 64.7423 68.4718 175.3961 12 D 4.3644 7.9867 120.1511 55.7855 41.1751 175.5987 13 Y 4.7853 7.7665 116.3982 56.3223 41.2191 175.2907 14 T 4.4944 8.4448 110.2668 60.9214 70.4162 173.3738 15 D 4.5038 8.0479 123.0811 53.9756 41.0027 176.2596 16 E 4.1809 8.7328 126.9492 58.0663 29.8195 178.6848 17 N 4.3668 8.5029 117.6696 56.2387 39.0156 175.6318 18 L 4.1213 7.8505 116.4786 55.9120 42.0168 177.0445 19 L 4.1057 7.5566 120.2321 53.7519 41.8157 175.2080 20 P 4.7101 0.0000 0.0000 61.9029 32.1547 175.6554 21 K 5.0432 8.4597 120.8137 55.2410 36.7370 175.0231 22 R 4.5842 8.3002 119.1768 54.6553 30.5204 176.9118 23 E 4.0449 8.8091 123.7868 58.5527 30.3985 176.3933 24 T 4.6937 7.3818 106.5311 59.2198 72.0591 174.3660 25 A 4.0076 8.5468 124.0775 54.6293 18.4684 178.1376 26 H 4.8078 7.8986 110.2452 55.2391 29.6910 174.0739 27 A 4.1051 7.6699 122.4117 52.1653 18.7085 178.3263 28 A 4.2227 8.6147 123.7258 53.9579 19.5234 178.2510 29 G 4.3197 7.7989 102.1971 45.0267 0.0000 172.3922 30 Y 4.6831 9.0806 120.9164 56.3023 40.4081 174.6886 31 D 5.1066 8.8877 124.9557 53.4889 41.9276 175.9990 32 L 4.3537 8.6781 124.5735 54.2014 43.4536 176.4563 33 K 5.0453 8.1826 119.9919 54.1688 36.7057 175.3285 34 V 4.0895 8.5848 122.5697 63.0509 31.7039 176.8250 35 A 4.2399 8.8544 131.1568 54.3190 18.8419 177.0637 36 E 4.7568 7.8751 110.6493 54.5522 32.7529 175.4087 37 R 4.1689 8.7416 121.2717 57.8637 30.7966 175.7345 38 T 4.6828 9.1811 122.2659 62.0142 72.4051 172.6822 39 E 4.9551 8.9338 125.9855 55.1869 31.5474 175.8552 40 I 4.5037 8.7761 124.2284 59.3443 40.3503 175.5354 41 S 4.5911 8.7522 123.1046 57.8631 64.3320 173.9917 42 A 4.1118 8.6017 124.4193 54.1974 18.1975 178.5815 43 G 3.8587 8.6645 110.4996 45.6402 0.0000 173.6195 44 A 4.4006 7.9021 123.0465 51.2718 19.7865 176.3790 45 I 4.7551 8.0697 120.4164 59.4852 39.0729 175.6694 46 V 4.4742 8.0672 124.1956 60.9167 34.5916 174.7338 47 L 4.4709 8.6308 127.5995 54.4041 42.1943 176.2977 48 V 4.3772 8.9150 126.3331 60.7515 32.9531 173.6320 49 P 3.8812 0.0000 0.0000 63.1536 32.0008 176.7470 50 T 4.7572 7.3852 115.5792 61.7638 71.1439 176.3390 51 G 3.3469 8.4128 108.8934 45.1834 0.0000 172.9611 52 V 5.1961 7.1697 112.2254 59.2475 36.0667 174.5752 53 K 5.4183 9.3237 120.9768 55.2210 36.2983 174.6572 54 A 5.1546 8.8030 121.5627 50.3331 21.8728 175.0582 55 Y 4.1564 7.7601 119.8099 55.0234 41.3679 174.9007 *57 Q 4.3692 8.2748 117.9543 55.3144 30.0345 175.3058 58 V 3.7008 8.0029 112.5566 63.0507 32.0478 177.0853 59 G 3.1064 8.9421 111.1042 45.2012 0.0000 172.4392 60 E 5.0810 7.7097 118.0968 54.1984 32.4292 175.6209 61 V 4.5282 8.0282 119.4275 59.8629 35.6336 173.6424 62 L 4.3724 8.1132 123.8669 53.5074 44.1219 174.5478 63 Y 5.0930 8.4595 124.3351 56.4097 40.4969 174.5493 64 L 4.9086 8.6353 123.5649 53.1218 43.9712 175.6176 65 F 5.2421 9.0176 122.7786 55.1856 42.2770 174.8434 66 D 4.7970 8.8410 120.8039 54.5864 42.1328 176.0852 67 R 4.2907 8.4882 122.3485 55.4410 31.2029 177.5513 68 S 4.1031 8.8704 116.9371 61.5726 62.5045 175.5994 69 S 4.3729 7.9642 112.8349 59.7250 63.8326 175.6192 70 N 4.2979 8.2812 119.9579 56.2757 38.6652 175.5999 71 P 4.4078 0.0000 0.0000 64.9803 31.6186 178.9179 72 R 4.0952 7.9081 112.3433 57.7756 30.0944 177.2404 73 K 4.3061 8.2017 117.3631 57.3242 32.9986 177.4022 74 K 4.3058 8.0651 115.5481 55.5024 33.3658 177.2023 75 G 3.9148 8.0037 106.5477 45.7756 0.0000 172.9805 76 L 5.1434 7.6405 118.2563 52.7106 44.9670 175.9090 77 V 4.6436 8.2683 114.5193 59.2612 35.9372 175.5472 78 L 4.2574 9.2640 126.3633 54.8666 41.8330 177.5281 79 I 3.7177 8.8062 128.9890 63.3788 38.1569 176.2352 80 N 4.6649 8.1063 115.4955 52.4088 37.6255 175.2345 81 S 4.4824 8.6929 120.7339 58.8607 61.9853 170.6943 82 V 4.4550 7.2834 117.1094 61.0857 34.3808 174.2904 83 G 3.7987 8.9503 116.0253 45.6138 0.0000 172.6195 84 V 4.6537 8.3540 125.0573 61.3471 33.1100 174.9057 85 I 4.1450 8.4336 130.9548 59.6080 38.4319 175.7891 86 D 4.7426 8.4932 127.4989 53.4093 41.6559 178.2147 87 G 3.7342 8.6873 110.6003 48.2421 0.0000 174.1602 88 D 4.8349 8.0298 117.1011 53.4171 40.2866 176.6791 89 Y 4.3120 8.2504 123.3420 60.6886 39.0437 175.2780 90 Y 4.2976 8.2816 119.5357 59.5105 38.9078 175.3007 91 N 4.0102 8.5193 122.5188 53.8181 36.4449 174.1380 92 N 4.4806 7.5114 115.5503 52.3288 37.7402 174.2355 93 P 4.4084 0.0000 0.0000 64.6414 31.9269 177.6455 94 N 4.6051 8.1364 115.6040 55.3911 39.1538 176.1219 95 N 4.8748 7.5148 111.3737 52.4953 38.6216 174.8699 96 E 3.5513 8.7554 117.2038 56.8329 28.8816 174.7670 97 G 3.0079 8.1672 104.2332 45.9259 0.0000 173.2559 98 H 4.3184 7.9018 119.4123 56.4800 29.7308 174.6574 99 I 4.4654 8.8665 128.5121 60.9120 38.1915 174.9555 100 F 4.9915 9.1026 125.0318 55.5808 42.0809 174.6238 101 A 4.6735 8.8086 124.2916 50.4483 20.7149 176.2340 102 Q 4.4940 8.5554 124.1292 55.5699 31.1798 174.4518 *104 K 4.4798 8.3782 124.6158 56.5144 34.0520 174.8303 105 N 5.0005 8.6672 126.1015 52.8433 41.4138 173.0851 *107 T 4.5312 8.0875 110.8438 61.5974 70.0618 173.3902 108 D 4.8335 8.5872 118.0143 53.1203 39.7150 175.7849 109 Q 4.7452 7.5722 117.4519 54.1887 32.2597 175.5431 110 T 4.1230 8.6511 118.8231 64.2442 69.3526 173.5237 111 V 4.3964 8.7558 125.7783 61.0731 34.1793 174.2452 112 V 4.7853 8.3754 127.0611 61.1723 33.5537 174.3837 113 L 4.7604 8.8885 128.7504 53.4525 43.3037 176.1144 114 E 4.5768 8.7256 123.6801 55.3145 31.0614 176.5112 115 A 4.2403 8.5286 125.3242 54.2817 18.7626 178.2622 116 G 3.9892 9.1524 111.7737 44.9617 0.0000 173.8320 117 E 4.1936 7.8526 120.1209 56.1897 30.6008 176.7136 118 R 4.5738 8.5676 123.3202 56.4595 30.4134 176.4521 119 V 4.3481 8.8688 121.6989 62.8023 33.9416 175.9223 120 V 4.8317 7.6188 112.0857 59.4153 36.8301 173.9624 121 Q 5.1546 9.3131 120.4393 54.5172 31.3389 174.6031 122 G 4.5021 9.3633 110.0133 44.4909 0.0000 172.2703 123 V 5.0669 8.7510 124.2398 61.1107 34.3981 174.8188 124 F 5.3323 9.3898 126.1294 55.2589 40.5091 173.3036 *126 P 4.5605 0.0000 0.0000 62.8488 32.2918 175.1877 127 F 5.2336 8.6867 115.7159 55.2801 41.3428 173.6138 128 L 4.9087 8.7929 117.6660 53.0042 44.9902 176.2872 129 L 4.7984 8.3888 121.0025 52.8802 43.7386 176.7935 130 I 4.0717 8.0402 114.8227 60.0883 38.5273 175.5028 131 D 4.2566 8.5078 121.1920 56.0586 41.1279 177.2979 132 G 4.1208 8.7697 111.2665 46.0017 0.0000 173.1639 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 K 8.31 4.29 0.00 1.64 1.70 0.00 1.41 0.00 0.00 1.39 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.18 7.81 4 T 8.21 4.34 4.17 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 1.12 0.00 0.00 5 R 7.20 4.14 0.00 1.08 1.43 0.00 2.71 0.00 0.00 2.49 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 6 G 5.38 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 0.00 0.00 0.00 7 F 8.06 5.53 0.00 2.93 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 8 E 9.30 5.00 0.00 2.15 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 2.39 2.62 0.00 9 L 8.68 4.71 0.00 1.59 1.82 0.95 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 10 I 8.66 4.22 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.91 0.00 0.00 11 T 8.59 3.92 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 1.29 0.00 0.00 12 D 7.99 4.36 0.00 2.56 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 0.00 0.00 0.00 0.00 13 Y 7.77 4.79 0.00 2.92 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 14 T 8.44 4.49 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 1.22 0.00 0.00 15 D 8.05 4.50 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 16 E 8.73 4.18 0.00 2.09 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 0.00 2.43 2.47 0.00 17 N 8.50 4.37 0.00 2.79 2.85 0.00 0.00 7.19 8.43 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 18 L 7.85 4.12 0.00 1.71 1.59 0.71 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.56 4.11 0.00 1.80 1.67 0.98 1.15 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 20 P 0.00 4.71 0.00 1.43 1.70 0.00 3.28 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 21 K 8.46 5.04 0.00 1.84 1.94 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 22 R 8.30 4.58 0.00 1.53 1.67 0.00 3.19 0.00 0.00 3.24 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 23 E 8.81 4.04 0.00 2.06 1.94 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 2.27 2.28 0.00 24 T 7.38 4.69 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 1.20 0.00 0.00 25 A 8.55 4.01 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 26 H 7.90 4.81 0.00 3.13 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.67 4.11 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 28 A 8.61 4.22 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 29 G 7.80 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 0.00 0.00 0.00 0.00 30 Y 9.08 4.68 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 31 D 8.89 5.11 0.00 2.59 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 32 L 8.68 4.35 0.00 1.58 1.46 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.18 5.05 0.00 1.58 1.60 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.33 7.81 34 V 8.58 4.09 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 0.81 0.00 0.00 0.97 0.00 0.00 35 A 8.85 4.24 0.44 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 36 E 7.88 4.76 0.00 2.03 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 2.28 2.39 0.00 37 R 8.74 4.17 0.00 1.86 1.94 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 38 T 9.18 4.68 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 1.25 0.00 0.00 39 E 8.93 4.96 0.00 1.86 1.88 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 2.27 2.34 0.00 40 I 8.78 4.50 1.88 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 1.25 0.74 0.92 0.00 0.00 41 S 8.75 4.59 0.00 3.78 3.79 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 42 A 8.60 4.11 1.27 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 43 G 8.66 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 0.00 0.00 0.00 44 A 7.90 4.40 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 45 I 8.07 4.76 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 1.30 0.68 0.91 0.00 0.00 46 V 8.07 4.47 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 0.86 0.00 0.00 1.00 0.00 0.00 47 L 8.63 4.47 0.00 1.46 1.50 0.67 0.87 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 48 V 8.91 4.38 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 1.05 0.00 0.00 1.05 0.00 0.00 49 P 0.00 3.88 0.00 2.00 2.08 0.00 3.75 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 50 T 7.39 4.76 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 1.18 0.00 0.00 51 G 8.41 3.35 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 0.00 52 V 7.17 5.20 2.31 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 0.70 0.00 0.00 0.89 0.00 0.00 53 K 9.32 5.42 0.00 2.04 2.05 0.00 1.15 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.64 1.74 7.81 54 A 8.80 5.15 1.01 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 0.00 0.00 0.00 0.00 0.00 55 Y 7.76 4.16 0.00 2.45 1.43 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 0.00 *57 Q 8.27 4.37 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.12 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 58 V 8.00 3.70 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 0.69 0.00 0.00 0.89 0.00 0.00 59 G 8.94 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 0.00 0.00 0.00 60 E 7.71 5.08 0.00 2.07 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 0.00 2.22 2.15 0.00 61 V 8.03 4.53 1.89 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 0.40 0.00 0.00 0.46 0.00 0.00 62 L 8.11 4.37 0.00 1.17 1.38 0.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.46 5.09 0.00 2.65 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 0.00 0.00 0.00 0.00 64 L 8.64 4.91 0.00 1.41 1.50 0.90 0.92 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 65 F 9.02 5.24 0.00 2.94 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 66 D 8.84 4.80 0.00 2.75 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 67 R 8.49 4.29 0.00 1.93 1.83 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 68 S 8.87 4.10 0.00 3.81 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 69 S 7.96 4.37 0.00 4.04 4.09 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 70 N 8.28 4.30 0.00 3.00 3.13 0.00 0.00 6.87 7.34 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 71 P 0.00 4.41 0.00 2.18 2.09 0.00 4.11 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 2.11 2.03 0.00 72 R 7.91 4.10 0.00 1.92 2.05 0.00 3.01 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 73 K 8.20 4.31 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 74 K 8.07 4.31 0.00 1.91 1.83 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.35 7.81 75 G 8.00 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 0.00 0.00 0.00 76 L 7.64 5.14 0.00 1.58 1.55 0.93 0.91 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 77 V 8.27 4.64 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 0.65 0.00 0.00 0.93 0.00 0.00 78 L 9.26 4.26 0.00 1.77 1.60 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.81 3.72 1.87 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 1.35 0.80 0.96 0.00 0.00 80 N 8.11 4.66 0.00 2.84 2.87 0.00 0.00 6.12 7.64 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 81 S 8.69 4.48 0.00 4.06 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 82 V 7.28 4.45 1.97 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 0.43 0.00 0.00 0.98 0.00 0.00 83 G 8.95 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 84 V 8.35 4.65 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 0.80 0.00 0.00 1.01 0.00 0.00 85 I 8.43 4.15 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.99 0.97 0.00 0.00 86 D 8.49 4.74 0.00 2.73 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 87 G 8.69 3.73 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 0.00 0.00 0.00 88 D 8.03 4.83 0.00 2.86 2.86 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 89 Y 8.25 4.31 0.00 3.07 3.18 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 90 Y 8.28 4.30 0.00 3.17 3.10 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 91 N 8.52 4.01 0.00 2.43 2.62 0.00 0.00 7.13 8.00 0.00 0.00 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 N 7.51 4.48 0.00 2.87 2.99 0.00 0.00 7.03 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 93 P 0.00 4.41 0.00 2.05 2.12 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 N 8.14 4.61 0.00 2.72 2.88 0.00 0.00 6.71 8.00 0.00 0.00 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 N 7.51 4.87 0.00 3.03 3.01 0.00 0.00 5.89 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 96 E 8.76 3.55 0.00 2.10 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 0.00 2.06 2.12 0.00 97 G 8.17 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 98 H 7.90 4.32 0.00 3.32 3.43 0.00 5.77 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.87 4.47 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.95 0.00 0.00 100 F 9.10 4.99 0.00 2.83 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 0.00 101 A 8.81 4.67 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 0.00 102 Q 8.56 4.49 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 *104 K 8.38 4.48 0.00 1.91 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.61 7.81 105 N 8.67 5.00 0.00 2.83 2.83 0.00 0.00 6.67 6.52 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 *107 T 8.09 4.53 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 0.00 108 D 8.59 4.83 0.00 2.77 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 0.00 109 Q 7.57 4.75 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 110 T 8.65 4.12 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 1.27 0.00 0.00 111 V 8.76 4.40 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 0.92 0.00 0.00 1.03 0.00 0.00 112 V 8.38 4.79 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 0.94 0.00 0.00 0.94 0.00 0.00 113 L 8.89 4.76 0.00 1.72 1.57 0.93 0.74 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 0.00 114 E 8.73 4.58 0.00 1.89 1.86 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 2.33 2.41 0.00 115 A 8.53 4.24 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 0.00 116 G 9.15 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 0.00 117 E 7.85 4.19 0.00 2.07 1.87 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 2.32 2.29 0.00 118 R 8.57 4.57 0.00 1.68 1.85 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 119 V 8.87 4.35 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 0.67 0.00 0.00 0.93 0.00 0.00 120 V 7.62 4.83 2.21 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 0.80 0.00 0.00 0.91 0.00 0.00 121 Q 9.31 5.15 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 122 G 9.36 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 5.07 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 1.33 0.00 0.00 1.26 0.00 0.00 124 F 9.39 5.33 0.00 2.95 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 *126 P 0.00 4.56 0.00 2.09 2.08 0.00 3.80 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 1.94 2.01 0.00 127 F 8.69 5.23 0.00 3.01 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 0.00 128 L 8.79 4.91 0.00 1.58 1.61 0.96 0.91 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 0.00 129 L 8.39 4.80 0.00 1.65 1.63 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.04 4.07 1.90 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 1.45 0.55 0.95 0.00 0.00 131 D 8.51 4.26 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 8.77 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 * Residues marked with a * may have inaccurate shift predictions.