NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3889 8.1849 120.6305 54.5043 43.2448 175.6367 3 L 4.8294 8.8145 122.9006 52.5876 44.6836 174.6786 4 F 5.2343 9.0591 119.8695 55.7935 43.0083 174.6413 5 N 4.7715 9.5752 121.5972 52.4713 38.6166 174.2867 6 K 4.5585 8.5673 125.4609 55.3637 33.6307 176.6423 7 T 4.6584 8.2652 119.1317 61.5121 71.0838 174.2379 8 K 4.3511 8.8224 128.1408 59.4755 33.4066 176.5416 9 S 5.2427 7.7050 110.4167 57.5054 65.4959 174.9416 10 V 4.6616 8.6212 114.9122 59.7358 35.1843 174.3749 11 E 5.5153 8.8405 122.1477 54.7598 32.2893 175.1829 12 F 5.1468 9.2228 117.0638 55.6219 42.3670 173.2641 13 T 4.8321 8.3936 109.5284 59.2437 71.5771 174.8601 14 F 4.5211 9.0591 115.7565 59.2696 37.8769 176.7366 15 G 3.2794 6.7958 109.9904 47.7938 0.0000 173.4020 16 N 4.4414 7.7035 116.7180 53.3876 38.2995 174.5625 17 D 4.6869 8.8870 124.9158 56.7344 42.0757 176.7235 18 T 4.8859 7.7855 106.7222 59.7789 71.3913 173.7396 19 V 4.2155 8.8706 118.4561 59.5934 34.0537 174.7533 20 V 4.4885 8.1583 124.5518 61.1613 33.5691 174.6550 21 I 4.3519 8.4002 129.4861 58.8030 38.4775 173.5425 22 P 4.8007 0.0000 0.0000 63.1758 32.6185 176.8789 23 C 4.8460 8.3842 121.7109 55.9532 45.5935 172.7092 24 F 5.2094 9.0621 124.9462 55.7211 42.1921 174.0733 25 V 3.8946 8.6651 125.6801 62.2984 31.5174 176.2353 26 T 4.3573 9.0238 118.3276 62.4083 69.4302 174.5972 27 N 5.0146 7.5758 119.6080 52.2816 37.9068 174.1409 28 M 4.1504 8.2313 118.2734 57.2864 32.7121 175.1853 29 E 4.6138 9.2846 122.9472 55.5613 31.3789 175.9495 30 A 4.3529 8.0230 121.9033 51.9550 18.8975 177.8436 31 Q 4.4894 8.5638 119.6662 56.0330 30.2385 175.4498 32 N 5.0674 7.6546 116.0677 51.8053 42.2430 174.9406 33 T 4.1842 8.5734 114.1842 64.0002 69.4125 176.4951 34 T 4.1884 8.0476 111.7068 63.6832 68.3175 174.9008 35 E 4.2287 8.1171 121.0254 57.2715 30.3264 175.8521 36 V 4.7813 7.8046 119.6477 61.3457 34.4233 173.8354 37 Y 5.1167 8.9376 126.3136 55.9034 42.5607 173.9083 38 V 5.0085 8.6226 125.3611 61.1002 35.1316 174.1289 39 K 5.1890 9.2174 126.6675 54.4862 35.6921 174.9093 40 W 5.2614 9.5853 125.3527 54.9690 31.4865 175.1422 41 K 5.2660 9.3830 124.3309 54.6776 34.9441 175.3241 42 F 4.6126 9.1743 126.3071 56.8814 42.6527 174.6018 43 K 3.2502 9.0787 127.5251 57.5119 29.3871 175.3387 44 G 3.8726 9.1050 100.4203 45.7963 0.0000 173.4419 45 R 4.5721 7.5126 113.4640 54.2546 32.4604 174.1345 46 D 5.0272 8.5853 120.0553 54.0508 40.3355 176.3748 47 I 4.0525 8.5025 118.7322 61.5624 38.5954 175.3770 48 Y 5.0936 7.6038 123.3889 56.9054 42.2699 173.0220 49 T 5.0559 8.0695 115.5413 59.7620 73.0072 172.6105 50 F 4.8465 8.8211 125.6524 56.4286 42.4880 173.3897 51 D 3.8966 7.8783 128.0051 52.6513 41.2590 177.3203 52 G 3.3020 8.3086 116.6699 48.3722 0.0000 174.9194 53 A 3.9448 7.9140 121.9655 54.6232 18.3945 178.3422 54 L 4.2194 7.8486 112.8130 54.2478 42.5696 175.7811 55 N 3.9557 7.6294 115.7484 54.6805 37.3143 173.5262 56 K 4.5487 7.5383 118.1247 54.5853 34.9038 175.1801 57 S 5.0405 8.7841 123.4896 58.1208 64.7416 173.9657 58 T 4.6519 8.1858 119.0858 62.2048 72.4547 173.4505 59 V 5.0016 8.3718 118.7055 58.7102 35.8721 173.8321 60 P 4.6406 0.0000 0.0000 62.2804 32.2266 177.4881 61 T 3.9943 8.4553 109.1792 64.0774 68.7607 174.7203 62 D 4.7207 8.1305 119.7352 53.5609 40.4103 176.1037 63 F 4.8338 8.1620 119.8197 57.2135 39.7536 177.1978 64 S 4.2993 8.3324 116.3117 60.6961 63.2939 174.9940 65 S 4.4260 8.0526 113.7740 58.3877 63.4763 174.1261 66 A 4.4818 7.7995 124.6528 52.1257 18.7615 176.9531 67 K 4.1164 8.3466 119.6349 55.9351 36.3259 174.2738 68 I 4.4546 7.5747 113.8643 58.9242 41.0084 175.2176 69 E 4.1833 8.3123 123.8746 54.7536 28.8749 176.6929 70 V 3.3730 8.0179 127.2611 65.5289 31.3590 177.4332 71 S 4.2354 8.0046 112.5332 60.4203 62.9892 175.1433 72 Q 4.4356 7.9379 120.5208 55.8757 29.0617 177.0789 73 L 4.2921 7.4523 124.0100 57.6279 41.9622 178.5461 74 L 4.0850 7.7772 116.5396 56.7732 41.8651 177.8099 75 K 4.1001 7.9585 116.4992 57.1477 32.3845 177.7648 76 G 3.8116 8.5268 108.7741 44.8413 0.0000 172.3346 77 D 4.5187 7.9270 120.6485 53.2780 41.7963 175.9211 78 A 4.8655 8.3856 127.7726 51.6381 20.0360 176.1339 79 S 4.3746 7.9743 113.7056 60.6129 63.7317 173.9053 80 L 4.1703 8.1888 125.5877 53.4202 43.6369 175.1594 81 K 4.9833 8.4909 125.7110 54.9340 35.0826 175.0628 82 M 4.9951 8.5042 120.2705 53.8545 35.4259 173.9936 83 D 4.8997 8.9159 121.9707 53.0445 40.7854 178.3654 84 K 4.0377 8.3809 124.5956 59.8706 31.0198 179.9847 85 S 4.3836 8.0184 114.2374 61.5935 62.9162 176.2338 86 D 3.9361 8.5522 121.8499 56.6639 40.9008 178.3031 87 A 4.0033 7.7507 121.6707 54.9188 18.2056 180.0815 88 V 3.8388 8.1049 116.7310 64.6946 31.5424 177.3227 89 S 4.3632 7.3810 112.1143 59.0267 63.7973 173.6477 90 H 5.0394 7.6196 117.3596 55.0075 29.1339 173.2764 91 T 4.4784 7.7766 109.3338 61.6107 70.8124 175.3406 92 G 3.9567 8.0425 108.4648 44.7605 0.0000 171.4895 93 N 5.4639 8.6444 118.5768 52.8318 39.7093 174.4870 94 Y 5.1395 9.7442 121.5102 56.6692 41.4051 174.7737 95 T 4.8714 9.1467 119.8399 62.0266 71.3650 172.3423 96 C 3.8849 8.8315 128.0649 54.7124 45.4737 171.7018 97 E 5.0682 8.8234 128.1163 54.3152 31.9404 174.5932 98 V 4.9920 9.0258 126.6597 61.4540 35.0987 174.2198 99 T 5.1610 9.0216 122.9075 61.7583 72.6858 172.6050 100 E 4.7815 8.9821 126.1586 56.2688 32.5418 177.5468 101 L 3.6288 9.1057 129.5972 56.3407 41.3474 176.1624 102 T 4.3901 8.9818 124.1712 64.7155 70.6245 175.3268 103 R 4.1768 7.7059 121.3190 55.9297 30.6432 175.4271 104 E 5.1867 8.1818 118.3351 55.1275 32.9830 174.1232 105 G 4.4802 8.4320 104.9227 45.9843 0.0000 172.0384 106 E 5.0334 8.6239 117.5038 54.9736 33.2288 174.1592 107 T 4.4440 8.2791 113.8516 60.7612 71.4332 172.1104 108 I 5.1251 8.1862 125.7027 59.5608 40.1193 175.0776 109 I 4.8261 8.9281 126.7902 59.4814 41.0842 174.0428 110 E 4.9306 8.9999 128.2653 55.2428 31.0598 174.6523 111 L 4.8967 9.5338 130.7442 54.4194 43.6158 175.3087 112 K 5.0918 9.1026 125.8128 54.7423 35.4469 174.6177 113 Y 4.2091 8.9465 128.8218 57.3196 39.1713 175.1827 114 R 4.4636 7.8278 126.9916 54.6672 33.3624 172.4734 115 V 3.6058 7.9628 119.6007 62.9017 31.5877 175.8629 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 2 L 8.18 4.39 0.00 1.63 1.39 0.95 0.57 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 3 L 8.81 4.83 0.00 1.53 1.57 0.92 0.69 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 4 F 9.06 5.23 0.00 2.87 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 5 N 9.58 4.77 0.00 2.72 2.89 0.00 0.00 7.13 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 6 K 8.57 4.56 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.67 7.81 7 T 8.27 4.66 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 1.27 0.00 0.00 8 K 8.82 4.35 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.48 7.81 9 S 7.70 5.24 0.00 4.01 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 10 V 8.62 4.66 2.12 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 0.87 0.00 0.00 1.00 0.00 0.00 11 E 8.84 5.52 0.00 1.84 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 2.21 2.30 0.00 12 F 9.22 5.15 0.00 3.26 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 13 T 8.39 4.83 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 1.01 0.00 0.00 14 F 9.06 4.52 0.00 3.22 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 15 G 6.80 3.28 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 0.00 0.00 0.00 16 N 7.70 4.44 0.00 3.07 2.86 0.00 0.00 7.03 8.85 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 17 D 8.89 4.69 0.00 2.59 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 18 T 7.79 4.89 4.15 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 1.16 0.00 0.00 19 V 8.87 4.22 1.58 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 0.05 0.00 0.00 0.50 0.00 0.00 20 V 8.16 4.49 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 0.78 0.00 0.00 0.84 0.00 0.00 21 I 8.40 4.35 1.07 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.09 0.90 0.00 0.00 22 P 0.00 4.80 0.00 2.44 2.33 0.00 3.86 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 2.15 2.09 0.00 23 C 8.38 4.85 0.00 3.26 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 24 F 9.06 5.21 0.00 3.04 2.95 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 25 V 8.67 3.89 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 0.56 0.00 0.00 0.29 0.00 0.00 26 T 9.02 4.36 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 1.25 0.00 0.00 27 N 7.58 5.01 0.00 2.76 2.83 0.00 0.00 6.01 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 28 M 8.23 4.15 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 29 E 9.28 4.61 0.00 2.07 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 0.00 2.22 2.36 0.00 30 A 8.02 4.35 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.56 4.49 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 32 N 7.65 5.07 0.00 2.67 2.60 0.00 0.00 6.98 7.22 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 33 T 8.57 4.18 4.49 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 1.27 0.00 0.00 34 T 8.05 4.19 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 1.33 0.00 0.00 35 E 8.12 4.23 0.00 2.17 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 2.26 0.00 36 V 7.80 4.78 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 1.10 0.00 0.00 0.99 0.00 0.00 37 Y 8.94 5.12 0.00 3.10 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 38 V 8.62 5.01 2.35 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 1.17 0.00 0.00 1.08 0.00 0.00 39 K 9.22 5.19 0.00 1.76 1.72 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.70 7.81 40 W 9.59 5.26 0.00 3.39 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 41 K 9.38 5.27 0.00 1.69 1.68 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.38 7.81 42 F 9.17 4.61 0.00 2.49 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 43 K 9.08 3.25 0.00 1.41 1.54 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.62 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.74 0.21 7.81 44 G 9.10 3.87 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 0.00 0.00 0.00 45 R 7.51 4.57 0.00 1.99 2.00 0.00 2.82 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 46 D 8.59 5.03 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 47 I 8.50 4.05 0.56 0.00 0.00 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 0.62 0.52 0.62 0.00 0.00 48 Y 7.60 5.09 0.00 3.07 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 49 T 8.07 5.06 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 1.25 0.00 0.00 50 F 8.82 4.85 0.00 3.23 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 51 D 7.88 3.90 0.00 2.47 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 0.00 0.00 0.00 0.00 52 G 8.31 3.30 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 0.00 53 A 7.91 3.94 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 L 7.85 4.22 0.00 1.52 1.66 0.89 0.96 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 55 N 7.63 3.96 0.00 2.82 2.85 0.00 0.00 6.73 6.68 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 56 K 7.54 4.55 0.00 1.78 1.46 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 1.33 7.81 57 S 8.78 5.04 0.00 3.92 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 58 T 8.19 4.65 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 1.19 0.00 0.00 59 V 8.37 5.00 2.36 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 1.07 0.00 0.00 1.03 0.00 0.00 60 P 0.00 4.64 0.00 2.53 2.26 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.04 0.00 61 T 8.46 3.99 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 62 D 8.13 4.72 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.16 4.83 0.00 3.05 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 64 S 8.33 4.30 0.00 4.01 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 0.00 65 S 8.05 4.43 0.00 3.99 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 66 A 7.80 4.48 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.35 4.12 0.00 1.70 1.81 0.00 1.19 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.16 1.19 7.81 68 I 7.57 4.45 1.72 0.00 0.00 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 1.07 0.51 0.78 0.00 0.00 69 E 8.31 4.18 0.00 1.97 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 2.28 2.28 0.00 70 V 8.02 3.37 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 0.84 0.00 0.00 0.26 0.00 0.00 71 S 8.00 4.24 0.00 4.04 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 72 Q 7.94 4.44 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 73 L 7.45 4.29 0.00 1.72 1.69 0.97 0.71 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 74 L 7.78 4.09 0.00 1.68 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.96 4.10 0.00 1.92 1.90 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 76 G 8.53 3.81 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 0.00 0.00 0.00 77 D 7.93 4.52 0.00 2.86 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 78 A 8.39 4.87 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 79 S 7.97 4.37 0.00 3.65 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 80 L 8.19 4.17 0.00 0.27 0.13 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.49 4.98 0.00 1.50 1.50 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.17 7.81 82 M 8.50 5.00 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 83 D 8.92 4.90 0.00 2.89 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 84 K 8.38 4.04 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.32 7.81 85 S 8.02 4.38 0.00 4.00 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 86 D 8.55 3.94 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.75 4.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.10 3.84 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 0.76 0.00 0.00 0.53 0.00 0.00 89 S 7.38 4.36 0.00 3.67 3.88 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 90 H 7.62 5.04 0.00 3.02 2.68 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.78 4.48 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 1.59 0.00 0.00 92 G 8.04 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 93 N 8.64 5.46 0.00 2.66 2.86 0.00 0.00 6.62 7.46 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 94 Y 9.74 5.14 0.00 3.11 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 95 T 9.15 4.87 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 1.11 0.00 0.00 96 C 8.83 3.88 0.00 1.23 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 0.00 0.00 0.00 0.00 97 E 8.82 5.07 0.00 1.94 1.72 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 2.20 2.19 0.00 98 V 9.03 4.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.06 0.00 0.00 99 T 9.02 5.16 4.33 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 1.27 0.00 0.00 100 E 8.98 4.78 0.00 1.99 1.77 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 2.20 2.28 0.00 101 L 9.11 3.63 0.00 1.80 1.29 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.98 4.39 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 1.20 0.00 0.00 103 R 7.71 4.18 0.00 2.03 1.84 0.00 3.07 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 104 E 8.18 5.19 0.00 2.03 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 2.17 2.31 0.00 105 G 8.43 4.48 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 0.00 106 E 8.62 5.03 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 107 T 8.28 4.44 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 0.82 0.00 0.00 108 I 8.19 5.13 1.88 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 0.74 0.98 0.00 0.00 109 I 8.93 4.83 2.11 0.00 0.00 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 1.37 0.83 1.03 0.00 0.00 110 E 9.00 4.93 0.00 2.33 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 2.40 2.41 0.00 111 L 9.53 4.90 0.00 1.82 1.96 0.78 0.15 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 0.00 112 K 9.10 5.09 0.00 1.82 1.72 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 113 Y 8.95 4.21 0.00 2.73 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 0.00 114 R 7.83 4.46 0.00 1.59 1.63 0.00 3.31 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 115 V 7.96 3.61 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 0.92 0.00 0.00 0.87 0.00 0.00