NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4476 8.3044 118.1870 54.8840 31.5465 174.5483 2 S 4.0375 8.7178 121.4209 60.2285 62.8527 173.0126 3 Q 4.3111 7.7671 115.2712 55.3964 32.2718 172.3640 4 I 4.1979 7.9113 126.0383 58.8154 37.3944 174.0943 5 P 4.1311 0.0000 0.0000 63.2830 31.4398 176.1492 6 L 3.6702 7.4595 119.6367 56.1574 40.8550 174.9745 7 V 4.3285 7.9587 114.2149 63.6715 35.0288 174.0168 8 S 4.7089 7.6062 111.5753 57.0838 66.1128 172.5526 9 Q 4.2617 7.9326 119.8450 57.0853 29.0816 176.5534 10 Y 4.4654 7.1587 124.1870 57.1084 40.2308 174.4460 11 D 4.5766 8.2021 124.2684 56.1865 41.6132 175.3262 12 P 4.4806 0.0000 0.0000 62.7242 32.0709 175.1351 13 Y 4.6200 8.8402 119.1074 56.2624 39.3674 175.3382 14 G 4.2154 8.8551 113.9985 43.6137 0.0000 172.1507 15 Q 4.4819 8.4779 122.0643 54.4338 29.0383 173.1858 16 T 4.6140 8.3091 117.3301 63.1793 74.6474 173.4638 17 A 4.6204 7.9202 123.7018 50.2199 20.3680 176.0522 18 Q 4.2269 8.4931 120.9037 54.7239 30.3553 174.5888 19 L 4.5233 8.0497 124.2246 53.6564 41.8876 174.8036 20 Q 4.3285 7.3086 130.0793 55.1299 32.6852 174.1872 21 Q 4.2285 8.1351 121.4094 54.5153 31.3679 177.2754 22 L 3.4221 8.2818 116.8910 54.5800 40.6365 170.8267 23 Q 3.3085 8.6535 122.4445 55.7281 25.8140 173.3584 24 Q 3.8520 8.5412 124.1508 56.7037 29.3153 177.2839 25 Q 3.4325 8.4810 125.9225 55.4816 27.9342 172.0785 26 Q 4.3480 8.1732 119.2689 54.6747 30.7186 174.1504 27 Q 4.1407 8.4048 121.1162 56.0886 29.0288 174.9258 28 Q 3.3911 9.2500 124.6514 57.1304 26.4370 174.6532 29 H 4.2235 8.3386 118.5999 56.0044 30.1488 173.5210 30 I 4.5382 7.5591 113.8090 59.1821 36.9547 172.8995 31 P 4.4912 0.0000 0.0000 61.5895 33.0842 176.4430 32 P 4.4585 0.0000 0.0000 63.0388 28.5090 174.5132 33 T 3.4930 7.3707 117.9672 63.7713 67.5830 173.0741 34 Q 4.3221 7.5737 128.3402 54.9459 31.2716 174.0717 35 M 4.4547 8.1798 122.6904 56.4097 34.1106 175.0964 36 N 4.2788 7.5121 121.6796 53.5999 43.8031 174.5556 37 P 4.5843 0.0000 0.0000 62.5769 29.1480 175.0808 38 E 4.2804 8.0350 126.4015 55.9719 30.5539 176.2552 39 P 4.4127 0.0000 0.0000 64.9368 31.8138 177.2076 40 D 4.5101 8.0066 118.0017 56.4161 41.0755 176.3971 41 V 4.1989 7.1088 112.9549 61.3439 32.0822 176.9871 42 L 4.3488 7.7308 121.0658 56.4428 42.7378 179.0067 43 R 4.1210 7.8484 114.0393 57.6477 30.6992 175.9231 44 N 4.8040 7.9519 119.0891 53.7148 39.7297 173.3749 45 L 4.7144 8.5896 127.6453 53.0150 44.2154 175.5563 46 M 2.8532 9.0842 126.1497 54.0795 33.2813 174.9980 47 V 4.7222 7.8625 120.3020 59.8975 34.1431 174.8061 48 N 5.1252 9.2353 122.6596 53.2345 42.5463 172.2474 49 Y 4.9280 8.8165 128.3560 57.5865 46.8639 173.7650 50 I 4.3580 7.5206 113.6206 58.2067 40.2470 172.5190 51 P 4.2790 0.0000 0.0000 64.8579 31.2106 177.0229 52 T 4.3294 8.1173 112.2515 62.4577 69.9184 175.7936 53 T 4.3387 7.5818 117.8932 63.1576 69.1097 174.6796 54 V 3.8004 7.6850 122.1507 61.7828 31.6752 175.5912 55 D 5.0243 8.5157 125.3744 51.8785 43.8378 177.0560 56 E 4.1498 8.8756 122.8411 59.2165 29.4998 179.6300 57 V 3.5412 7.7130 119.1791 66.0997 31.8380 177.3923 58 Q 3.9216 8.0905 118.7566 59.3359 28.8193 178.1686 59 L 3.6291 7.9366 119.0700 56.6935 41.6340 179.3735 60 R 3.9546 7.9385 119.4060 59.6795 30.1937 178.5679 61 Q 4.1633 8.1210 119.1887 58.0859 28.5219 178.3517 62 L 3.7841 7.4324 120.2968 58.0634 42.2640 178.7068 63 F 4.9324 7.8928 117.7373 60.3948 38.7466 177.9002 64 E 4.4409 8.8138 118.9244 58.3460 28.8205 179.3305 65 R 3.7140 7.4039 115.6229 59.3557 29.2640 177.4569 66 Y 4.2824 7.3893 113.7592 58.2234 38.4159 176.1853 67 G 3.9165 7.4003 103.4269 44.3316 0.0000 170.1850 68 P 4.2345 0.0000 0.0000 62.6933 31.8411 176.0222 69 I 4.4661 8.0917 116.8158 61.1592 38.2298 175.3420 70 E 4.4527 9.8460 124.9674 57.7959 31.3246 176.3185 71 S 4.5789 7.9950 115.4003 56.7430 65.1966 172.6932 72 V 4.9741 8.3786 126.9006 60.0769 33.4568 174.9940 73 K 4.6928 9.2844 123.5342 55.6112 36.1059 174.0655 74 I 4.7361 8.2876 125.2355 59.7619 39.4806 176.3086 75 V 4.0782 9.0807 127.3915 62.1863 31.2167 175.3076 76 C 4.8752 8.3159 122.5624 57.3489 31.5956 172.2309 77 D 4.7272 8.5523 119.6578 53.2102 41.4305 177.3068 78 R 4.1045 8.7458 122.1752 57.8836 30.1866 177.4935 79 E 4.0247 8.7291 120.2801 59.4114 29.6111 177.4833 80 T 4.4655 7.6671 110.4365 62.3649 69.5241 173.9445 81 R 3.9069 8.0038 119.1628 57.2848 28.5641 175.9934 82 Q 4.6078 7.5875 114.1641 53.5675 31.4698 175.2082 83 S 4.3642 8.4838 114.8112 59.1657 62.6509 173.2436 84 R 4.9016 7.8402 127.4647 58.1276 32.5384 171.3724 85 G 3.5716 8.8051 104.9859 45.1376 0.0000 174.1493 86 Y 4.6039 6.0200 114.4481 56.2780 42.9276 173.1194 87 G 4.5168 9.0917 107.1751 44.6634 0.0000 171.7444 88 F 5.3670 9.4896 120.6119 56.7630 43.5676 174.3428 89 V 4.8139 9.7483 118.6315 59.8260 35.5029 174.5665 90 K 4.6296 9.1250 129.1941 55.1952 32.7428 176.2440 91 F 4.7944 9.1543 127.4822 57.6885 39.2525 175.8280 92 Q 4.2960 8.9926 121.7548 58.8686 28.9533 177.8539 93 S 4.7946 8.0583 113.4655 55.6675 66.8156 175.2181 94 G 3.4900 8.8577 110.1037 48.2920 0.0000 176.0365 95 S 4.2627 8.1271 116.3555 61.2638 62.8076 176.2653 96 S 4.5504 9.0026 116.7584 60.8330 62.1417 175.7610 97 A 3.8348 7.9520 123.5938 55.3030 18.2109 179.3728 98 Q 3.9715 7.5849 116.2509 59.5053 28.7900 179.4378 99 Q 4.0603 8.0250 118.0098 58.3070 28.8032 178.3032 100 A 4.0264 8.0111 122.0943 55.4398 18.3510 179.8952 101 I 3.5877 8.0718 116.7607 63.9834 37.1213 178.4206 102 A 4.3076 7.6215 121.1230 54.2040 18.3047 178.6163 103 G 3.9648 7.7660 103.2809 44.9877 0.0000 173.3573 104 L 4.1070 8.2541 120.1146 54.4429 44.7861 176.5208 105 N 4.6025 8.1854 117.4523 54.4154 39.0304 174.4189 106 G 3.9223 9.3470 113.6796 46.1805 0.0000 173.0943 107 F 4.4059 7.9564 124.7752 58.0598 37.7633 173.3515 108 N 5.0650 7.9370 122.3170 52.3663 34.6676 175.4256 109 I 3.8777 8.4808 128.0995 60.5829 39.2228 176.5408 110 L 3.9990 8.4376 123.8017 57.4048 41.3913 178.1323 111 N 4.9849 8.0028 111.5064 52.7171 40.5552 173.5073 112 K 4.8895 7.5176 115.7905 53.8406 37.5174 175.0581 113 R 4.6253 6.3127 120.6174 54.7614 32.3997 175.5245 114 L 4.5261 8.5799 128.3499 53.7910 41.4020 174.1928 115 K 4.5503 8.8007 124.3318 55.7048 33.5131 175.3074 116 V 4.7728 8.7619 127.2597 60.9553 34.0839 174.4604 117 A 4.6561 9.0262 129.7277 49.6281 22.0905 175.2556 118 L 5.0777 8.7862 121.7501 54.6503 41.8904 177.4054 119 A 4.4537 8.8558 123.7024 54.3643 19.2980 178.0294 120 A 4.0186 8.1521 117.0887 52.6706 18.9126 176.8821 121 S 4.5718 9.7357 115.2187 58.1486 64.3630 174.9601 122 G 3.9067 9.5440 112.6062 46.3072 0.0000 169.9725 123 H 3.9579 8.1602 115.6951 57.4653 27.8825 174.6254 124 Q 4.5703 7.8381 113.6258 56.1504 29.5550 176.9806 125 R 4.0113 8.0320 117.0077 58.4701 30.6150 176.2260 126 P 4.6431 0.0000 0.0000 62.6467 32.3973 175.8484 127 G 4.1125 8.0958 106.1191 46.3257 0.0000 173.8474 128 I 2.9435 8.9005 106.8140 62.1060 35.2524 171.4610 129 A 3.6063 8.3199 128.5276 49.3128 18.1687 177.0925 130 G 3.3978 8.0749 102.7078 45.1168 0.0000 170.2193 131 A 3.7770 7.7786 126.2464 51.6242 19.1527 177.5330 132 V 4.4893 8.0641 111.9747 59.6913 35.6836 176.2110 133 G 3.7392 8.3952 111.1863 44.3694 0.0000 173.7868 134 D 4.3656 8.3788 127.6511 53.1114 41.6846 173.6605 135 G 4.6322 8.2357 117.7464 45.7709 0.0000 172.2530 136 N 4.2937 7.8767 114.4577 52.1036 39.2317 173.6268 137 G 4.2651 8.9412 106.0560 46.5971 0.0000 174.9913 138 Y 4.1991 8.2145 120.8514 59.3684 39.6252 174.7958 139 L 4.2370 7.9007 122.4108 54.7753 41.9851 176.4514 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 M 8.30 4.45 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 S 8.72 4.04 0.00 4.03 4.11 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 3 Q 7.77 4.31 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 4 I 7.91 4.20 1.89 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 1.21 0.92 0.00 0.00 5 P 0.00 4.13 0.00 2.19 2.13 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 6 L 7.46 3.67 0.00 1.88 1.79 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.96 4.33 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 0.88 0.00 0.00 0.98 0.00 0.00 8 S 7.61 4.71 0.00 3.82 3.74 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 9 Q 7.93 4.26 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 10 Y 7.16 4.47 0.00 2.74 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 11 D 8.20 4.58 0.00 2.67 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 12 P 0.00 4.48 0.00 2.12 2.01 0.00 3.42 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 13 Y 8.84 4.62 0.00 2.92 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 14 G 8.86 4.22 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 0.00 15 Q 8.48 4.48 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 16 T 8.31 4.61 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 1.23 0.00 0.00 17 A 7.92 4.62 1.25 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 0.00 0.00 0.00 18 Q 8.49 4.23 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 19 L 8.05 4.52 0.00 1.62 1.64 0.92 0.95 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 20 Q 7.31 4.33 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 21 Q 8.14 4.23 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.15 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 22 L 8.28 3.42 0.00 1.83 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.65 3.31 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 24 Q 8.54 3.85 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.16 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 25 Q 8.48 3.43 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 26 Q 8.17 4.35 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 27 Q 8.40 4.14 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 28 Q 9.25 3.39 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.76 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 29 H 8.34 4.22 0.00 3.23 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.56 4.54 1.78 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 1.44 0.74 0.88 0.00 0.00 31 P 0.00 4.49 0.00 2.17 2.07 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 32 P 0.00 4.46 0.00 2.06 2.07 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 33 T 7.37 3.49 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 34 Q 7.57 4.32 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 35 M 8.18 4.45 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 36 N 7.51 4.28 0.00 2.69 2.75 0.00 0.00 6.93 8.02 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 37 P 0.00 4.58 0.00 2.18 2.09 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 38 E 8.04 4.28 0.00 2.05 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 2.39 2.54 0.00 39 P 0.00 4.41 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 40 D 8.01 4.51 0.00 2.69 2.77 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 41 V 7.11 4.20 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 0.62 0.00 0.00 0.97 0.00 0.00 42 L 7.73 4.35 0.00 1.70 1.68 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.85 4.12 0.00 2.07 2.38 0.00 3.18 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 44 N 7.95 4.80 0.00 2.89 2.81 0.00 0.00 7.12 5.81 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 45 L 8.59 4.71 0.00 1.36 1.07 0.61 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46 M 9.08 2.85 0.00 1.57 1.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 47 V 7.86 4.72 2.30 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 0.04 0.00 0.00 1.16 0.00 0.00 48 N 9.24 5.13 0.00 2.62 2.51 0.00 0.00 6.29 7.60 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 49 Y 8.82 4.93 0.00 3.18 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 50 I 7.52 4.36 1.80 0.00 0.00 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 1.59 0.93 0.57 0.00 0.00 51 P 0.00 4.28 0.00 2.21 2.11 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 52 T 8.12 4.33 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 53 T 7.58 4.34 4.22 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 1.23 0.00 0.00 54 V 7.69 3.80 2.41 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 0.77 0.00 0.00 1.04 0.00 0.00 55 D 8.52 5.02 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.15 0.00 2.27 2.30 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 2.41 2.42 0.00 57 V 7.71 3.54 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 0.98 0.00 0.00 0.95 0.00 0.00 58 Q 8.09 3.92 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 59 L 7.94 3.63 0.00 1.98 2.18 1.13 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.94 3.95 0.00 2.11 2.04 0.00 3.37 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 61 Q 8.12 4.16 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.52 2.19 0.00 62 L 7.43 3.78 0.00 1.53 1.09 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.89 4.93 0.00 3.49 3.39 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 64 E 8.81 4.44 0.00 2.14 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 0.00 2.49 2.10 0.00 65 R 7.40 3.71 0.00 1.63 2.17 0.00 2.57 0.00 0.00 2.60 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.50 0.00 66 Y 7.39 4.28 0.00 3.00 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 67 G 7.40 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 68 P 0.00 4.23 0.00 2.10 1.96 0.00 3.45 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 2.05 2.01 0.00 69 I 8.09 4.47 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 1.23 0.00 0.00 70 E 9.85 4.45 0.00 1.91 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 2.29 2.41 0.00 71 S 7.99 4.58 0.00 3.85 3.70 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 72 V 8.38 4.97 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 0.78 0.00 0.00 1.14 0.00 0.00 73 K 9.28 4.69 0.00 1.82 1.68 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 74 I 8.29 4.74 1.92 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 1.33 0.83 0.98 0.00 0.00 75 V 9.08 4.08 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 0.97 0.00 0.00 1.36 0.00 0.00 76 C 8.32 4.88 0.00 3.14 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 77 D 8.55 4.73 0.00 2.71 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 0.00 0.00 0.00 78 R 8.75 4.10 0.00 1.95 2.03 0.00 3.09 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 79 E 8.73 4.02 0.00 2.18 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 2.32 2.27 0.00 80 T 7.67 4.47 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 81 R 8.00 3.91 0.00 1.93 1.98 0.00 3.28 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 82 Q 7.59 4.61 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.08 0.00 0.00 0.00 0.00 0.00 2.50 2.24 0.00 83 S 8.48 4.36 0.00 3.83 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 84 R 7.84 4.90 0.00 1.70 1.71 0.00 3.21 0.00 0.00 3.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 85 G 8.81 3.57 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 0.00 86 Y 6.02 4.60 0.00 3.22 3.25 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 0.00 87 G 9.09 4.52 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 0.00 88 F 9.49 5.37 0.00 3.21 2.77 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 89 V 9.75 4.81 2.48 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 0.86 0.00 0.00 0.91 0.00 0.00 90 K 9.12 4.63 0.00 1.86 1.92 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 91 F 9.15 4.79 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 92 Q 8.99 4.30 0.00 1.94 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 93 S 8.06 4.79 0.00 3.87 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 94 G 8.86 3.49 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 95 S 8.13 4.26 0.00 3.91 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 96 S 9.00 4.55 0.00 4.01 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 0.00 97 A 7.95 3.83 1.34 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 0.00 0.00 0.00 98 Q 7.58 3.97 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 99 Q 8.03 4.06 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 100 A 8.01 4.03 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 0.00 101 I 8.07 3.59 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.46 0.84 0.00 0.00 102 A 7.62 4.31 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 0.00 103 G 7.77 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 0.00 104 L 8.25 4.11 0.00 1.70 1.68 1.45 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.19 4.60 0.00 2.57 2.85 0.00 0.00 6.91 7.93 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 0.00 106 G 9.35 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 0.00 107 F 7.96 4.41 0.00 3.25 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 0.00 108 N 7.94 5.07 0.00 2.80 2.80 0.00 0.00 6.23 7.73 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 0.00 109 I 8.48 3.88 1.83 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 1.34 1.27 0.92 0.00 0.00 110 L 8.44 4.00 0.00 1.64 1.73 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.00 4.98 0.00 2.65 2.84 0.00 0.00 6.69 7.63 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 0.00 112 K 7.52 4.89 0.00 1.37 0.74 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.16 7.81 113 R 6.31 4.63 0.00 1.74 1.85 0.00 3.29 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 114 L 8.58 4.53 0.00 2.09 2.10 1.01 0.76 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 K 8.80 4.55 0.00 1.85 1.89 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.38 7.81 116 V 8.76 4.77 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 0.27 0.00 0.00 0.67 0.00 0.00 117 A 9.03 4.66 1.03 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 0.00 0.00 118 L 8.79 5.08 0.00 1.50 1.60 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.86 4.45 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 0.00 120 A 8.15 4.02 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 0.00 121 S 9.74 4.57 0.00 3.83 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 0.00 122 G 9.54 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 0.00 123 H 8.16 3.96 0.00 3.29 3.31 0.00 5.72 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.84 4.57 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 125 R 8.03 4.01 0.00 1.90 1.98 0.00 3.43 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 126 P 0.00 4.64 0.00 2.16 2.07 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 127 G 8.10 4.11 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 0.00 128 I 8.90 2.94 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 1.34 0.53 0.89 0.00 0.00 129 A 8.32 3.61 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 0.00 130 G 8.07 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 0.00 0.00 0.00 131 A 7.78 3.78 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 0.00 132 V 8.06 4.49 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 0.76 0.00 0.00 0.93 0.00 0.00 133 G 8.40 3.74 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 0.00 0.00 0.00 134 D 8.38 4.37 0.00 2.80 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 0.00 135 G 8.24 4.63 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 0.00 136 N 7.88 4.29 0.00 2.80 2.79 0.00 0.00 6.25 7.01 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 0.00 137 G 8.94 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 0.00 0.00 0.00 0.00 138 Y 8.21 4.20 0.00 2.88 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 0.00 139 L 7.90 4.24 0.00 1.73 1.58 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00