NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2086 8.3344 116.7721 58.0286 64.9339 173.5196 5 V 3.8686 7.4994 123.5181 60.4173 31.4621 169.9992 6 V 4.1099 8.9546 128.7237 61.8428 33.7776 174.6827 7 K 4.7514 8.1409 124.1653 54.3409 35.5979 177.2791 8 S 4.1739 8.8688 118.0343 62.0971 62.7883 176.5189 9 E 4.3578 8.2330 113.1353 57.2822 29.2750 176.3661 10 D 4.7511 7.9826 118.3564 54.5253 40.9646 178.0222 11 Y 4.1767 7.4297 119.0975 59.5320 37.8900 176.9783 12 A 4.2419 7.0197 121.0255 52.4665 19.3424 176.7666 13 L 4.6211 7.2090 115.8052 51.8949 43.4675 174.8772 14 P 4.2930 0.0000 0.0000 63.1799 31.6795 175.8444 15 S 4.8526 8.3687 115.6164 56.4294 66.1555 172.2765 16 Y 4.5094 8.3709 121.1783 56.4901 39.7039 174.9445 17 V 4.2756 6.9746 118.0178 59.9209 35.6753 174.5677 18 D 4.6508 8.4743 123.8990 52.7859 40.9888 175.9983 19 R 4.5699 7.8155 122.4583 53.9628 34.1503 176.9640 20 R 3.6040 8.6372 121.4563 59.0625 30.1659 177.2906 21 D 4.7585 7.9679 113.8974 53.7087 39.1418 175.7672 22 Y 4.8113 7.7798 120.6284 55.3703 38.7187 173.5877 23 P 4.6159 0.0000 0.0000 65.1134 31.8347 176.9238 24 L 4.6674 6.7006 118.2593 51.6158 41.2381 174.3156 25 P 4.6303 0.0000 0.0000 62.1985 32.0232 176.8201 26 D 4.5658 8.7864 119.2709 56.8390 40.9428 177.0963 27 V 4.5528 7.4535 109.4645 58.9841 35.6142 174.8164 28 A 4.3170 8.2752 123.9186 51.8774 19.1965 177.3640 29 H 3.5609 8.6948 121.8808 58.2567 29.9257 175.9634 30 V 4.1429 7.6443 119.0295 60.7627 32.8498 174.7970 31 K 4.2216 8.5504 126.2349 57.9955 33.7814 176.6158 32 N 4.6729 7.8971 116.7392 51.9237 39.4408 174.1187 33 L 4.6977 8.1847 122.8691 52.7060 44.3755 177.3547 34 S 4.4899 8.2444 117.2777 57.4134 66.0503 174.9195 35 A 3.9698 8.3813 122.4175 55.5208 18.1042 179.9069 36 S 4.1222 7.9817 112.3596 61.6304 63.2303 176.5770 37 Q 3.9973 8.0650 121.5231 58.6143 28.5365 178.7190 38 K 3.9639 8.4198 119.6881 59.4514 32.0176 179.2745 39 A 4.0385 7.9747 120.8800 54.9113 18.1756 179.4822 40 L 3.9032 7.9756 118.9878 58.3252 41.9836 179.4050 41 K 3.9906 7.9739 117.2908 59.2672 32.1827 179.0346 42 E 4.1301 7.9984 118.6655 59.3285 29.4509 179.1402 43 K 3.9813 8.3135 119.8063 59.4336 31.9974 178.2425 44 E 4.2606 8.3618 118.7432 58.6885 29.5930 178.2924 45 K 4.2394 8.0900 116.8362 57.8190 32.5107 176.4916 46 A 4.4678 7.6794 122.2237 49.9578 20.9440 176.3244 47 S 3.9493 8.3881 112.1457 58.9127 62.6950 175.3661 48 W 4.7283 8.4343 126.1735 58.9310 29.2877 178.5266 49 S 4.2897 7.9047 114.1354 61.4052 62.2977 175.5549 50 S 4.4031 7.7846 114.4967 59.5675 62.9670 174.3492 51 L 4.5115 7.5975 121.6401 54.0243 42.3056 177.5626 52 S 4.5228 8.7013 118.1842 57.5998 65.3975 175.5758 53 I 3.6691 8.2428 123.3891 64.9510 36.8843 178.3501 54 D 4.3699 8.0921 118.9444 57.5258 40.6632 178.6610 55 E 4.0445 8.2131 119.0951 59.1930 29.4201 179.5335 56 K 3.9617 8.3967 119.0543 59.3455 32.0045 179.6066 57 V 3.6374 8.0399 118.7696 65.9447 31.3262 177.7645 58 E 3.9672 8.2228 119.2074 59.1757 29.3266 178.8013 59 L 3.9812 8.1440 119.2675 57.6628 41.6831 178.8277 60 Y 4.0367 8.2367 119.5599 60.9211 38.6692 178.4075 61 R 4.3760 8.2188 118.6333 58.2137 30.2761 178.6272 62 L 4.0965 7.5636 119.2203 57.1240 41.6865 179.1022 63 K 3.5215 7.5384 119.6709 57.5254 32.1760 176.5709 64 F 5.3229 7.3536 116.9615 55.4434 41.8906 175.8755 65 K 3.7537 9.3503 125.4106 58.4191 32.3877 176.7199 66 E 5.3812 8.5037 117.2592 53.2933 32.3711 176.8948 67 S 5.2781 8.5731 118.3276 57.2559 65.5900 175.4251 68 F 3.9302 9.0342 120.1848 60.5746 38.3939 177.5808 69 A 4.0493 8.1250 118.8080 55.3187 18.1918 179.1292 70 E 4.0961 8.0543 116.7956 59.8578 29.4332 179.6026 71 M 4.1540 8.1939 115.4481 57.5313 31.3082 177.1760 72 N 4.7779 7.8439 116.1441 51.8977 39.3895 175.2220 73 R 4.0774 7.1048 117.8948 56.0826 30.1116 176.6922 74 S 4.5906 8.3595 115.2556 57.7527 64.5016 172.4982 75 T 4.7495 8.0049 110.0417 60.4734 71.9194 173.1756 76 N 4.7590 8.4706 115.6529 53.2833 38.8625 176.7692 77 E 3.9172 8.2717 122.4802 59.1549 29.4215 178.8901 78 W 4.2934 8.3209 116.2272 59.4006 27.9218 178.4272 79 K 3.0053 6.6307 119.0968 59.2283 31.2982 179.3906 80 T 3.7455 7.4724 115.4166 66.5009 68.3720 176.6323 81 V 3.5953 7.9213 120.1815 66.1446 31.6250 178.2213 82 V 3.7756 8.2396 118.2303 65.9384 31.4112 178.2260 83 G 3.6029 8.3656 105.4226 47.8252 0.0000 175.5889 84 A 4.1600 8.4138 123.5129 54.6802 18.4000 179.5242 85 A 4.1570 8.4117 119.4989 55.8698 18.5048 179.8457 86 M 4.1004 8.3741 117.1601 58.3646 31.8653 178.8564 87 F 4.0475 8.2432 121.0241 61.3486 39.5717 177.3204 88 F 3.9048 8.4965 117.3809 60.3783 38.4521 177.8473 89 I 3.9688 8.0056 119.2171 64.0612 37.0045 178.3946 90 G 3.6106 8.0979 106.9111 47.6879 0.0000 175.5342 91 F 3.9048 7.9809 123.5393 61.1597 39.2365 177.2508 92 T 3.6696 7.8914 115.2234 66.5864 68.2309 176.3313 93 A 4.0081 7.7148 122.4261 54.9999 18.2293 179.7243 94 L 3.8695 7.4745 117.7173 57.8589 41.6387 179.6105 95 L 3.8859 7.2834 118.4973 57.6608 41.5134 179.3944 96 L 4.0802 7.8249 119.0956 57.6391 41.5275 179.5995 97 I 3.6936 7.8864 119.9559 64.1137 37.0145 178.1481 98 W 4.1607 8.4259 129.3278 60.4161 30.4091 177.5622 99 E 3.9222 8.4986 119.1634 59.2937 28.9348 178.6342 100 K 4.0279 7.9600 118.3067 59.7712 32.2556 177.9356 101 H 3.9942 7.9117 117.5108 58.9304 29.9486 176.1087 102 Y 4.2787 7.4204 115.8286 57.8096 38.4548 176.4698 103 V 4.0128 7.3150 118.1518 64.4142 32.9039 175.7425 104 Y 4.5431 7.5817 116.2983 57.9068 38.3747 176.0160 105 G 4.0784 8.3433 113.7080 43.3586 0.0000 171.3361 106 P 4.3439 0.0000 0.0000 62.3772 31.9051 176.0638 107 I 4.0286 7.7725 113.5984 59.0245 39.0916 173.7009 108 P 4.3203 0.0000 0.0000 63.0072 31.7527 177.5260 109 H 4.2923 8.5684 116.2754 58.1639 28.5582 177.0588 110 T 2.5314 7.0371 108.9166 62.6496 68.4946 174.6465 111 F 4.5078 7.5498 119.7253 57.7318 39.7638 176.6501 112 E 4.2120 8.0256 121.8350 56.0869 31.1866 177.2558 113 E 3.9836 8.8688 122.6045 59.5926 29.7536 179.0578 114 E 3.9347 8.2090 118.7097 58.9413 29.8642 178.2206 115 W 3.9111 8.3186 127.9535 60.6095 30.7381 177.7818 116 V 3.7559 8.3273 118.0174 66.0918 31.0395 177.8339 117 A 4.0295 8.1262 120.4927 54.9958 18.1210 179.8839 118 K 3.7860 8.0307 117.0028 59.6079 32.0957 179.3043 119 Q 3.8288 8.2935 120.1630 59.5540 28.8974 178.6966 120 T 3.9838 8.1703 116.8540 66.4010 68.4374 176.6392 121 K 3.6490 7.7580 121.2603 59.4240 32.1891 178.7240 122 R 3.8240 8.1706 119.3047 59.7744 29.8317 178.3647 123 M 4.0224 8.2697 118.5799 58.4412 31.9486 178.7951 124 L 4.1308 8.0911 119.0981 57.7574 41.4504 179.2790 125 D 4.4874 8.2329 119.0855 56.8547 40.8347 177.5566 126 M 4.2966 8.0719 114.9358 53.9759 32.4607 176.0580 127 K 4.1953 7.7344 117.0295 56.3932 30.4141 176.1673 128 V 3.4842 8.2600 118.4701 64.4806 32.8767 175.0675 129 A 3.9843 8.7339 128.6118 52.9402 15.5424 175.4348 130 P 4.5079 0.0000 0.0000 64.2719 32.7173 178.9592 131 I 4.0920 7.8597 119.5022 63.9553 37.5676 176.1323 132 Q 4.6234 8.0451 114.2391 57.4165 34.6719 176.2726 133 G 3.8648 8.4227 105.4285 48.2236 0.0000 172.9932 134 F 4.8045 8.3902 121.4145 59.2166 42.6391 176.5632 135 S 4.2698 9.3523 116.8100 61.4674 63.0549 176.8267 136 A 4.2539 8.2380 121.8415 54.4404 18.4173 177.9005 137 K 4.4995 8.5095 114.8652 55.9844 32.4897 175.6365 138 W 4.6187 8.0208 129.5777 55.2579 32.6345 174.8051 139 D 4.4828 7.7363 125.8166 52.9337 39.9230 176.5251 140 Y 4.2467 8.4777 125.2402 60.5594 38.3807 177.7007 141 D 4.4854 8.2443 119.1739 57.2380 41.1895 177.6567 142 K 3.9942 8.0186 115.2519 56.1850 32.6570 176.3554 143 N 3.9190 7.4021 116.7961 53.4429 37.7595 171.8816 144 E 3.4938 5.9000 113.9049 54.3169 33.6003 175.4469 145 W 4.3599 7.8485 120.2528 56.2281 29.7452 176.7331 146 K 3.9051 8.7062 124.4092 56.4790 32.2027 177.3738 147 K 4.1479 8.5511 122.8071 56.7903 32.0198 176.8590 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 4 S 8.33 4.21 0.00 3.78 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 5 V 7.50 3.87 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 0.74 0.00 0.00 0.92 0.00 0.00 6 V 8.95 4.11 2.11 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 0.90 0.00 0.00 0.97 0.00 0.00 7 K 8.14 4.75 0.00 1.95 1.76 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.87 4.17 0.00 3.92 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 9 E 8.23 4.36 0.00 2.10 2.11 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 2.27 2.28 0.00 10 D 7.98 4.75 0.00 2.96 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 11 Y 7.43 4.18 0.00 3.17 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 12 A 7.02 4.24 0.97 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 0.00 0.00 13 L 7.21 4.62 0.00 1.75 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.29 0.00 2.06 2.04 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 15 S 8.37 4.85 0.00 3.98 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 16 Y 8.37 4.51 0.00 3.02 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 17 V 6.97 4.28 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 0.69 0.00 0.00 0.86 0.00 0.00 18 D 8.47 4.65 0.00 2.67 2.58 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 0.00 0.00 0.00 19 R 7.82 4.57 0.00 1.83 1.95 0.00 3.09 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 1.54 1.56 0.00 20 R 8.64 3.60 0.00 1.79 2.07 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 21 D 7.97 4.76 0.00 2.84 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 22 Y 7.78 4.81 0.00 2.96 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 23 P 0.00 4.62 0.00 2.26 2.43 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 24 L 6.70 4.67 0.00 1.56 1.66 0.95 1.22 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 25 P 0.00 4.63 0.00 2.20 1.76 0.00 3.93 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.10 0.00 26 D 8.79 4.57 0.00 2.75 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 27 V 7.45 4.55 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 0.77 0.00 0.00 1.09 0.00 0.00 28 A 8.28 4.32 1.12 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 29 H 8.69 3.56 0.00 2.22 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.64 4.14 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 0.81 0.00 0.00 0.65 0.00 0.00 31 K 8.55 4.22 0.00 1.86 1.86 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.40 7.81 32 N 7.90 4.67 0.00 2.69 2.76 0.00 0.00 6.74 7.85 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 33 L 8.18 4.70 0.00 1.58 1.52 0.90 0.89 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 34 S 8.24 4.49 0.00 4.04 4.01 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 35 A 8.38 3.97 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 36 S 7.98 4.12 0.00 4.06 4.13 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 0.00 0.00 0.00 0.00 37 Q 8.07 4.00 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 38 K 8.42 3.96 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 39 A 7.97 4.04 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 40 L 7.98 3.90 0.00 1.90 1.91 0.93 0.62 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 41 K 7.97 3.99 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.61 7.81 42 E 8.00 4.13 0.00 2.26 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 43 K 8.31 3.98 0.00 1.95 2.01 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.36 4.26 0.00 2.16 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 2.65 2.50 0.00 45 K 8.09 4.24 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.31 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.74 7.81 46 A 7.68 4.47 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 47 S 8.39 3.95 0.00 3.81 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 48 W 8.43 4.73 0.00 3.51 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 49 S 7.90 4.29 0.00 3.93 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 50 S 7.78 4.40 0.00 4.02 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 51 L 7.60 4.51 0.00 2.02 1.64 1.01 1.02 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 52 S 8.70 4.52 0.00 4.08 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 53 I 8.24 3.67 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 1.64 0.81 0.90 0.00 0.00 54 D 8.09 4.37 0.00 2.72 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 55 E 8.21 4.04 0.00 2.27 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 2.34 2.36 0.00 56 K 8.40 3.96 0.00 1.93 1.81 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.59 7.81 57 V 8.04 3.64 2.25 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 1.12 0.00 0.00 0.91 0.00 0.00 58 E 8.22 3.97 0.00 2.11 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 0.00 2.31 2.36 0.00 59 L 8.14 3.98 0.00 1.87 1.62 0.85 0.57 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 60 Y 8.24 4.04 0.00 3.16 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 61 R 8.22 4.38 0.00 1.87 2.05 0.00 3.46 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.77 0.00 62 L 7.56 4.10 0.00 1.71 1.59 0.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.54 3.52 0.00 1.35 1.07 0.00 1.06 0.00 0.00 1.27 0.00 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 F 7.35 5.32 0.00 2.53 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 65 K 9.35 3.75 0.00 1.05 2.11 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.19 7.81 66 E 8.50 5.38 0.00 2.06 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 2.27 2.21 0.00 67 S 8.57 5.28 0.00 4.07 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 68 F 9.03 3.93 0.00 3.04 3.20 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 0.00 0.00 0.00 69 A 8.13 4.05 1.32 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 70 E 8.05 4.10 0.00 2.30 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 2.35 0.00 71 M 8.19 4.15 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 72 N 7.84 4.78 0.00 2.80 2.88 0.00 0.00 7.01 7.17 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 73 R 7.10 4.08 0.00 1.93 1.95 0.00 3.07 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 74 S 8.36 4.59 0.00 4.05 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 75 T 8.00 4.75 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 1.24 0.00 0.00 76 N 8.47 4.76 0.00 2.71 2.68 0.00 0.00 6.45 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 77 E 8.27 3.92 0.00 2.07 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 2.34 0.00 78 W 8.32 4.29 0.00 3.72 3.38 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 79 K 6.63 3.01 0.00 1.43 1.37 0.00 1.31 0.00 0.00 1.30 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.47 3.75 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 1.18 0.00 0.00 81 V 7.92 3.60 2.18 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 1.13 0.00 0.00 1.00 0.00 0.00 82 V 8.24 3.78 2.32 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 1.10 0.00 0.00 1.22 0.00 0.00 83 G 8.37 3.60 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 0.00 0.00 0.00 84 A 8.41 4.16 1.57 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 0.00 0.00 85 A 8.41 4.16 1.50 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 86 M 8.37 4.10 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.61 0.00 87 F 8.24 4.05 0.00 3.12 3.13 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 0.00 0.00 0.00 0.00 88 F 8.50 3.90 0.00 3.29 3.13 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 0.00 0.00 0.00 0.00 89 I 8.01 3.97 2.04 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 1.51 0.66 0.93 0.00 0.00 90 G 8.10 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 91 F 7.98 3.90 0.00 2.45 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 92 T 7.89 3.67 4.42 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 1.20 0.00 0.00 93 A 7.71 4.01 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 94 L 7.47 3.87 0.00 1.43 1.54 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.28 3.89 0.00 1.70 1.60 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.82 4.08 0.00 1.86 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.89 3.69 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.90 0.00 0.00 98 W 8.43 4.16 0.00 3.52 3.40 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 99 E 8.50 3.92 0.00 2.30 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 1.58 2.07 0.00 100 K 7.96 4.03 0.00 1.85 1.98 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.48 7.81 101 H 7.91 3.99 0.00 2.97 2.87 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.42 4.28 0.00 1.48 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 0.00 0.00 0.00 0.00 103 V 7.32 4.01 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 0.65 0.00 0.00 0.87 0.00 0.00 104 Y 7.58 4.54 0.00 3.11 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 0.00 105 G 8.34 4.08 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 0.00 106 P 0.00 4.34 0.00 2.16 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 107 I 7.77 4.03 1.50 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.58 0.00 0.00 108 P 0.00 4.32 0.00 2.34 1.95 0.00 3.66 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 2.20 2.09 0.00 109 H 8.57 4.29 0.00 3.41 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.04 2.53 3.45 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 0.10 0.00 0.00 111 F 7.55 4.51 0.00 2.98 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 0.00 112 E 8.03 4.21 0.00 2.23 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 2.39 2.47 0.00 113 E 8.87 3.98 0.00 2.09 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 2.44 2.44 0.00 114 E 8.21 3.93 0.00 2.12 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 2.39 2.37 0.00 115 W 8.32 3.91 0.00 3.62 3.22 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 0.00 116 V 8.33 3.76 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 1.12 0.00 0.00 1.15 0.00 0.00 117 A 8.13 4.03 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.03 3.79 0.00 1.62 1.57 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.46 7.81 119 Q 8.29 3.83 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 120 T 8.17 3.98 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 1.50 0.00 0.00 121 K 7.76 3.65 0.00 1.71 1.78 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.22 7.81 122 R 8.17 3.82 0.00 1.79 1.98 0.00 3.06 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 123 M 8.27 4.02 0.00 1.87 2.25 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 124 L 8.09 4.13 0.00 1.54 1.28 -0.83 0.56 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 0.00 125 D 8.23 4.49 0.00 2.76 2.71 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 0.00 126 M 8.07 4.30 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.78 0.00 127 K 7.73 4.20 0.00 1.90 1.91 0.00 1.50 0.00 0.00 1.17 0.00 0.00 2.41 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.52 1.24 7.81 128 V 8.26 3.48 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 0.91 0.00 0.00 0.87 0.00 0.00 129 A 8.73 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.51 0.00 2.24 2.38 0.00 3.82 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 2.03 2.02 0.00 131 I 7.86 4.09 1.91 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 1.44 0.45 0.94 0.00 0.00 132 Q 8.05 4.62 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.42 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 0.00 134 F 8.39 4.80 0.00 3.11 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 0.00 135 S 9.35 4.27 0.00 4.19 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 0.00 136 A 8.24 4.25 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 0.00 0.00 137 K 8.51 4.50 0.00 2.12 1.97 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.45 7.81 138 W 8.02 4.62 0.00 2.76 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 0.00 139 D 7.74 4.48 0.00 2.37 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 0.00 0.00 0.00 0.00 140 Y 8.48 4.25 0.00 3.08 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 0.00 141 D 8.24 4.49 0.00 2.83 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 0.00 142 K 8.02 3.99 0.00 1.55 1.69 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.28 7.81 143 N 7.40 3.92 0.00 2.80 2.74 0.00 0.00 6.92 7.80 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 0.00 144 E 5.90 3.49 0.00 1.70 1.64 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 1.85 1.94 0.00 145 W 7.85 4.36 0.00 3.18 3.15 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 0.00 0.00 0.00 146 K 8.71 3.91 0.00 1.69 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.49 7.81 147 K 8.55 4.15 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.39 7.81