NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9518 8.0549 114.0589 60.9290 33.1764 174.3375 2 L 3.6342 8.1534 121.7569 53.7224 37.6952 173.2401 3 S 4.5605 8.2313 119.6301 57.4764 66.5918 174.8935 4 G 3.6534 8.5192 108.2210 47.8099 0.0000 175.8872 5 T 3.9387 7.7495 114.3352 65.1038 67.7722 175.6718 6 D 4.5399 7.9086 120.4256 57.5539 40.7702 178.6281 7 K 3.9226 8.0575 119.0595 59.3501 33.1807 177.9204 8 T 4.3154 7.6695 109.2111 59.7272 67.2219 171.8607 9 N 4.3637 7.4410 128.7027 53.8723 44.4634 176.3168 10 V 3.7213 7.7937 117.8967 65.4608 31.3354 178.0603 11 K 3.9249 8.0559 117.8988 59.3820 31.6520 178.7578 12 S 4.2631 8.0665 113.0339 61.5738 62.3696 176.2730 13 I 3.7963 7.5985 115.2527 63.7486 37.1281 177.6357 14 F 4.2803 7.8850 118.2806 58.9284 38.9973 176.8416 15 S 4.5241 7.6766 111.7211 59.4143 63.4427 175.6174 16 K 4.3156 7.8823 121.3485 57.7062 32.5081 177.5646 17 I 4.4723 7.6721 112.0837 61.5105 37.9336 177.3955 18 G 3.9194 8.4453 106.1195 49.4516 0.0000 174.7533 19 G 3.7046 7.6947 107.2245 45.3309 0.0000 173.6792 20 Q 4.1769 7.3759 118.2402 55.2853 30.1850 177.5702 21 A 3.6974 7.2771 118.9401 54.9294 18.4150 178.8237 22 D 4.4059 8.0973 115.2967 57.8496 41.2068 179.4422 23 D 4.4450 8.0044 118.2432 57.6831 40.8726 178.4021 24 Y 4.5197 8.2209 117.3995 60.6701 37.4529 178.6181 25 G 3.6966 8.5304 107.0850 47.6744 0.0000 175.4054 26 A 4.0867 8.0210 123.5883 55.1657 18.3995 179.4619 27 E 3.9293 8.4496 117.1429 59.1298 29.5790 178.5630 28 A 3.9936 8.1695 121.0476 55.2692 18.4003 179.3657 29 L 3.4846 7.6093 116.2722 57.6895 41.6361 179.3241 30 E 4.0066 7.8215 118.8538 59.5611 29.4520 179.1372 31 R 3.8569 8.1079 117.8972 59.4300 30.0592 178.4300 32 M 4.1081 8.0522 118.0541 59.1372 31.6780 178.4217 33 F 4.6252 8.2604 117.6869 60.1422 38.7782 177.9572 34 V 3.7063 7.5053 117.3396 65.8442 31.6111 177.4233 35 T 4.1178 7.9805 110.9133 62.6235 68.7644 174.3201 36 Y 4.9722 8.0079 118.3213 54.6659 38.7328 173.8463 37 P 4.6592 0.0000 0.0000 64.7206 31.7884 177.8181 38 Q 4.1495 8.3264 117.0960 59.0677 28.5203 178.5430 39 T 4.2790 8.4891 110.6982 64.4641 68.2168 176.3536 40 K 4.0846 8.2666 120.7825 58.8088 31.7344 178.8124 41 T 3.8189 7.7377 116.1613 67.2124 68.4173 175.4280 42 Y 4.0347 7.8009 117.2911 59.1887 39.0801 176.9616 43 F 4.5600 7.6853 119.4252 55.3041 36.2904 174.2915 44 P 4.1852 0.0000 0.0000 64.2255 32.4202 177.7463 45 H 4.6191 8.1955 113.1339 56.5575 29.2502 175.3380 46 F 4.5566 7.4042 119.0623 56.5355 39.8360 174.6740 47 D 4.5651 8.6171 123.8831 53.9034 41.1553 176.6137 48 V 4.2410 8.1939 125.1770 61.0854 32.5927 176.2092 49 S 4.1668 7.9632 116.4920 57.4999 63.4221 171.3744 50 P 4.5570 0.0000 0.0000 65.6319 31.1330 175.1710 51 G 3.9373 9.3870 114.1531 45.9959 0.0000 174.5132 52 S 4.0470 8.2715 113.7821 59.1220 64.1417 174.9101 53 A 4.2573 8.4727 128.0548 53.9965 18.6788 180.1452 54 Q 3.6565 7.8037 117.1266 59.0206 28.7502 178.7677 55 V 3.7017 7.7205 118.6969 66.0554 31.1435 178.0173 56 K 3.9901 8.0691 117.7644 59.5402 31.7168 179.2916 57 A 4.0392 8.0051 120.2123 55.1044 18.4781 178.9825 58 H 4.5879 8.9599 117.7097 59.4898 30.1244 177.7369 59 G 3.6705 8.2837 107.4602 47.6479 0.0000 175.4651 60 K 4.0816 7.9625 121.4951 58.6990 32.2214 178.6310 61 K 4.2009 8.1480 119.0350 58.8895 32.9925 179.0241 62 V 3.5299 7.7030 118.7609 65.7470 31.3487 177.3789 63 A 4.1915 8.2500 120.5453 55.9005 18.1613 179.4273 64 G 3.9699 7.7886 102.2282 48.3192 0.0000 175.6488 65 G 3.7864 8.2576 107.8870 47.2326 0.0000 175.2557 66 L 3.9402 7.5997 121.4387 57.5063 41.8331 179.2516 67 S 3.7031 8.1908 113.0846 61.4586 62.0001 176.0015 68 E 3.7751 8.0294 120.0463 59.3928 29.4684 178.1219 69 A 4.1169 8.6917 121.0437 55.3657 18.0912 179.5043 70 A 3.6655 7.7644 118.3708 55.2287 18.4406 179.3477 71 N 4.3223 7.7389 113.5594 55.5308 39.4172 174.9828 72 H 5.0687 7.7843 117.1368 55.0185 29.5817 174.9631 73 I 3.8653 7.7865 119.2913 63.4540 38.4499 176.1733 74 D 4.5263 8.0627 119.0678 56.5223 41.6826 175.8158 75 D 4.9691 8.0542 117.8328 52.6070 41.3240 176.7933 76 I 3.7794 7.7433 121.6930 64.3757 37.2778 177.7661 77 A 4.0952 7.8668 120.2614 54.6688 18.2719 179.0317 78 T 4.0894 7.7675 113.9750 66.1851 68.6267 176.8409 79 S 4.1652 7.7306 114.0223 60.6691 62.5005 174.9229 80 L 4.6712 7.4151 119.0176 54.3913 41.8364 178.3550 81 S 4.1047 7.7360 117.0821 61.4121 62.6409 176.3483 82 K 4.0368 8.0009 122.6936 59.0240 31.9481 178.6030 83 L 4.2292 7.8225 119.5872 57.3672 41.3346 179.4461 84 S 4.1056 7.6220 114.4993 61.0431 62.8295 176.4519 85 D 4.1876 7.7416 121.3596 57.1179 40.6086 177.8866 86 L 3.8669 7.9648 120.3959 59.0280 41.8278 178.7683 87 H 4.2627 8.1264 115.4414 57.8475 28.4964 177.2160 88 A 4.2894 7.3830 122.3112 53.2704 19.5814 178.3011 89 Q 4.0123 7.7922 117.0618 59.2679 29.4323 177.5490 90 K 4.1260 7.8607 115.9743 59.3009 32.4171 178.4836 91 L 4.1938 8.2140 116.9822 54.8513 42.5531 177.0214 92 R 3.9928 8.0265 117.0879 57.1137 27.4989 177.0050 93 V 3.8547 8.3064 116.7771 62.2716 32.5102 174.9538 94 D 4.3990 9.0651 126.7989 54.6633 41.6298 175.8425 95 P 4.6573 0.0000 0.0000 65.6061 31.5294 178.8779 96 V 3.6043 8.0726 111.0494 64.7647 30.8744 177.9693 97 N 4.3258 8.0703 115.7152 55.6572 38.3829 177.4395 98 F 3.9866 8.3515 119.8517 60.1019 38.9328 177.4298 99 K 3.8927 8.2151 117.8026 59.7121 31.8926 179.0042 100 L 3.7641 7.2869 117.9241 57.5849 41.4107 179.4384 101 L 4.0639 7.5891 119.7697 57.9992 42.0239 179.1306 102 G 3.6819 7.9947 105.4823 47.9024 0.0000 175.1694 103 Q 4.0542 8.5479 122.7553 59.3454 28.9624 178.5063 104 C 4.2105 8.3348 117.5347 62.6327 28.0607 175.7799 105 F 4.0727 8.9476 122.7001 61.2804 38.9617 177.1089 106 L 3.8170 8.2261 118.5829 57.7943 41.4291 179.3945 107 V 3.4614 7.6099 118.0721 66.2420 31.3185 178.3144 108 V 3.2904 7.3416 117.5481 65.7592 31.3556 178.4168 109 V 3.0731 6.9951 118.3895 64.5683 30.9366 178.2585 110 A 3.9069 7.7066 120.5145 54.5504 18.1630 179.5905 111 I 3.6538 7.1010 117.8748 64.8659 37.4007 177.8961 112 H 4.6137 7.5119 114.0259 56.5900 30.4135 175.7224 113 N 5.0168 7.9666 119.2667 51.9276 38.3608 173.1243 114 P 4.3647 0.0000 0.0000 64.9241 32.1783 178.6108 115 S 4.4910 7.8336 110.0472 58.4710 63.8709 174.9970 116 A 4.0452 7.9491 124.5297 54.7372 18.8444 178.0572 117 L 4.3509 6.9463 117.3755 54.0103 41.2958 176.7772 118 T 4.0497 7.5185 111.5364 61.3181 70.9083 172.6531 119 P 4.2283 0.0000 0.0000 66.1076 31.3488 178.5151 120 E 3.9371 8.2226 116.1432 59.4061 29.4955 179.0137 121 A 3.9901 7.7498 120.5966 55.6881 18.5770 178.9214 122 H 4.1796 8.4651 116.3605 59.4954 29.7454 177.3122 123 A 3.9811 7.7931 122.0452 55.3992 18.3600 179.7995 124 S 4.1486 8.2467 113.7828 61.7189 62.7895 176.8126 125 L 4.2178 8.6949 123.4430 58.0872 41.4896 178.4758 126 D 4.4287 8.2517 118.1608 56.9934 40.7646 178.2257 127 K 4.1778 8.2490 119.4525 59.3956 32.8214 179.0298 128 F 4.3206 8.5261 122.0700 61.3299 39.3833 176.9058 129 L 3.7708 8.3846 119.1157 57.0419 41.2249 178.5583 130 C 4.5201 7.5601 111.0963 58.3863 31.0782 174.9556 131 A 4.4473 7.2925 124.4546 54.1695 19.6900 179.5334 132 V 3.4877 7.4634 117.3286 65.9075 31.3940 178.0215 133 G 3.3935 7.6483 102.7391 46.1002 0.0000 174.6180 134 L 4.3003 7.2728 121.8495 55.5179 42.0790 178.7852 135 V 3.6063 7.0513 116.8057 65.3862 31.5796 176.8638 136 L 4.0907 7.1461 118.1359 55.8414 41.5982 177.3758 137 T 4.2022 6.9844 107.2204 61.0091 69.2540 175.9478 138 A 3.9385 7.7802 127.1931 55.7762 18.4042 180.5338 139 K 4.0478 7.6318 112.5152 58.6325 32.2400 177.5271 140 Y 4.5937 7.3959 116.7593 59.4221 38.2032 176.0735 141 R 4.2372 8.1737 124.6288 56.4016 31.3361 174.7121 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 V 8.05 3.95 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 0.90 0.00 0.00 0.94 0.00 0.00 2 L 8.15 3.63 0.00 1.87 2.02 1.04 0.74 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 3 S 8.23 4.56 0.00 4.06 4.02 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 4 G 8.52 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 3.94 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 1.22 0.00 0.00 6 D 7.91 4.54 0.00 2.91 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 7 K 8.06 3.92 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.71 7.81 8 T 7.67 4.32 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 9 N 7.44 4.36 0.00 2.96 2.93 0.00 0.00 6.69 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 10 V 7.79 3.72 1.92 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 0.35 0.00 0.00 0.93 0.00 0.00 11 K 8.06 3.92 0.00 1.73 1.85 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.40 7.81 12 S 8.07 4.26 0.00 3.88 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 13 I 7.60 3.80 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.21 0.94 0.00 0.00 14 F 7.89 4.28 0.00 3.08 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 15 S 7.68 4.52 0.00 4.08 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 16 K 7.88 4.32 0.00 1.87 1.89 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 17 I 7.67 4.47 2.05 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.97 0.00 0.00 18 G 8.45 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 19 G 7.69 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 0.00 0.00 0.00 20 Q 7.38 4.18 0.00 1.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 21 A 7.28 3.70 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 22 D 8.10 4.41 0.00 2.67 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 23 D 8.00 4.44 0.00 2.84 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 24 Y 8.22 4.52 0.00 3.19 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 25 G 8.53 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 0.00 0.00 0.00 26 A 8.02 4.09 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 0.00 0.00 27 E 8.45 3.93 0.00 2.13 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 2.29 2.34 0.00 28 A 8.17 3.99 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 29 L 7.61 3.48 0.00 1.48 1.02 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.82 4.01 0.00 2.15 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 0.00 2.36 2.47 0.00 31 R 8.11 3.86 0.00 1.99 1.92 0.00 3.15 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 32 M 8.05 4.11 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.70 0.00 33 F 8.26 4.63 0.00 3.12 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 34 V 7.51 3.71 2.24 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 0.76 0.00 0.00 0.96 0.00 0.00 35 T 7.98 4.12 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 1.03 0.00 0.00 36 Y 8.01 4.97 0.00 3.20 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 37 P 0.00 4.66 0.00 2.22 2.16 0.00 3.99 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 2.16 2.08 0.00 38 Q 8.33 4.15 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 39 T 8.49 4.28 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 1.36 0.00 0.00 40 K 8.27 4.08 0.00 1.88 1.77 0.00 1.60 0.00 0.00 1.43 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.01 1.70 7.81 41 T 7.74 3.82 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 0.93 0.00 0.00 42 Y 7.80 4.03 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 43 F 7.69 4.56 0.00 2.75 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 0.00 0.00 0.00 0.00 44 P 0.00 4.19 0.00 2.19 2.15 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 45 H 8.20 4.62 0.00 3.42 3.54 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.40 4.56 0.00 2.93 2.94 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 47 D 8.62 4.57 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.24 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 0.73 0.00 0.00 0.27 0.00 0.00 49 S 7.96 4.17 0.00 4.03 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 50 P 0.00 4.56 0.00 2.08 2.12 0.00 3.67 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 2.06 2.15 0.00 51 G 9.39 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 0.00 0.00 0.00 52 S 8.27 4.05 0.00 4.14 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 53 A 8.47 4.26 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 54 Q 7.80 3.66 0.00 1.83 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 1.73 2.09 0.00 55 V 7.72 3.70 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 1.23 0.00 0.00 1.15 0.00 0.00 56 K 8.07 3.99 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.70 7.81 57 A 8.01 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.96 4.59 0.00 3.58 3.52 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.28 3.67 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 0.00 0.00 0.00 60 K 7.96 4.08 0.00 2.01 1.99 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 61 K 8.15 4.20 0.00 2.07 2.08 0.00 1.46 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.63 7.81 62 V 7.70 3.53 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 1.02 0.00 0.00 0.82 0.00 0.00 63 A 8.25 4.19 1.52 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 64 G 7.79 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 0.00 0.00 0.00 65 G 8.26 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 0.00 0.00 0.00 66 L 7.60 3.94 0.00 1.87 1.75 0.45 0.53 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 67 S 8.19 3.70 0.00 3.99 3.84 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 0.00 0.00 0.00 68 E 8.03 3.78 0.00 2.13 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 2.33 2.38 0.00 69 A 8.69 4.12 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 70 A 7.76 3.67 0.75 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 71 N 7.74 4.32 0.00 2.64 2.61 0.00 0.00 6.83 7.48 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 72 H 7.78 5.07 0.00 3.15 3.19 0.00 5.64 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.79 3.87 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 0.88 0.00 0.00 74 D 8.06 4.53 0.00 2.72 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 75 D 8.05 4.97 0.00 2.69 2.50 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 76 I 7.74 3.78 1.87 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.43 0.88 0.00 0.00 77 A 7.87 4.10 1.26 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 0.00 0.00 78 T 7.77 4.09 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 1.18 0.00 0.00 79 S 7.73 4.17 0.00 3.98 4.10 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 80 L 7.42 4.67 0.00 1.63 1.57 0.82 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.74 4.10 0.00 4.04 4.28 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 82 K 8.00 4.04 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.52 7.81 83 L 7.82 4.23 0.00 1.87 1.77 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.62 4.11 0.00 3.87 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 0.00 85 D 7.74 4.19 0.00 2.75 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 86 L 7.96 3.87 0.00 1.72 1.81 0.90 1.03 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 87 H 8.13 4.26 0.00 3.30 3.56 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.38 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.79 4.01 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 90 K 7.86 4.13 0.00 1.92 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 91 L 8.21 4.19 0.00 1.69 1.77 0.77 1.27 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 92 R 8.03 3.99 0.00 1.97 2.04 0.00 3.27 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 93 V 8.31 3.85 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 0.32 0.00 0.00 0.72 0.00 0.00 94 D 9.07 4.40 0.00 2.85 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 95 P 0.00 4.66 0.00 2.27 2.23 0.00 3.67 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 2.07 2.18 0.00 96 V 8.07 3.60 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 0.89 0.00 0.00 0.94 0.00 0.00 97 N 8.07 4.33 0.00 2.59 2.47 0.00 0.00 6.87 8.26 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 98 F 8.35 3.99 0.00 3.12 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 99 K 8.22 3.89 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.58 7.81 100 L 7.29 3.76 0.00 1.49 0.97 0.47 -0.32 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 0.00 101 L 7.59 4.06 0.00 1.67 1.59 0.91 1.08 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 0.00 102 G 7.99 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 0.00 103 Q 8.55 4.05 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 104 C 8.33 4.21 0.00 3.25 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 F 8.95 4.07 0.00 3.24 3.34 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 0.00 106 L 8.23 3.82 0.00 1.87 1.62 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.61 3.46 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 0.90 0.00 0.00 0.96 0.00 0.00 108 V 7.34 3.29 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 0.57 0.00 0.00 0.81 0.00 0.00 109 V 7.00 3.07 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 0.31 0.00 0.00 0.77 0.00 0.00 110 A 7.71 3.91 1.26 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 0.00 0.00 111 I 7.10 3.65 1.66 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 1.39 0.61 0.60 0.00 0.00 112 H 7.51 4.61 0.00 2.85 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.97 5.02 0.00 2.69 2.59 0.00 0.00 7.05 7.21 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 0.00 114 P 0.00 4.36 0.00 2.19 2.04 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 115 S 7.83 4.49 0.00 3.96 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 0.00 116 A 7.95 4.05 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 0.00 117 L 6.95 4.35 0.00 1.49 1.56 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.52 4.05 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 1.21 0.00 0.00 119 P 0.00 4.23 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 120 E 8.22 3.94 0.00 2.02 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 2.41 2.39 0.00 121 A 7.75 3.99 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 0.00 122 H 8.47 4.18 0.00 3.32 3.54 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.79 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.15 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 0.00 125 L 8.69 4.22 0.00 1.98 1.80 1.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.25 4.43 0.00 3.07 2.84 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 0.00 0.00 0.00 127 K 8.25 4.18 0.00 2.12 2.09 0.00 1.40 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.50 7.81 128 F 8.53 4.32 0.00 3.14 3.41 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 0.00 129 L 8.38 3.77 0.00 1.85 1.70 1.14 0.76 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 0.00 130 C 7.56 4.52 0.00 3.13 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 0.00 131 A 7.29 4.45 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 3.49 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 0.78 0.00 0.00 0.38 0.00 0.00 133 G 7.65 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 0.00 0.00 0.00 134 L 7.27 4.30 0.00 1.70 1.62 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.05 3.61 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 0.67 0.00 0.00 0.88 0.00 0.00 136 L 7.15 4.09 0.00 0.92 1.30 0.89 0.76 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 0.00 137 T 6.98 4.20 4.35 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 0.88 0.00 0.00 138 A 7.78 3.94 1.30 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 0.00 0.00 139 K 7.63 4.05 0.00 1.54 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 140 Y 7.40 4.59 0.00 2.96 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 0.00 141 R 8.17 4.24 0.00 1.70 1.75 0.00 3.29 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00