NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5235 8.1933 116.7504 58.7599 65.1255 171.9247 13 S 5.0077 8.4097 116.4200 56.1248 64.8206 173.5275 14 C 4.1389 8.2178 122.0177 57.1976 44.3702 172.9401 15 K 4.4284 8.6671 123.5282 56.0807 36.0495 174.2385 16 R 4.6875 8.3570 121.0655 56.3585 30.9204 174.9588 17 H 5.1410 9.2532 122.2256 52.8173 33.0183 171.3125 18 P 4.4869 0.0000 0.0000 63.3385 32.2640 175.8350 19 L 4.1719 7.7873 120.7493 54.8097 45.3168 172.2646 20 Y 4.4464 8.3560 128.3049 55.7390 41.2253 174.0827 21 V 3.7422 7.4378 127.2517 61.1355 33.4084 173.7676 22 D 4.6272 8.0219 128.4583 53.1017 42.1876 177.2740 23 F 4.6276 9.0231 125.7840 59.9504 38.8346 178.1190 24 S 4.1198 8.2864 114.7209 61.6455 62.7386 176.0221 25 D 4.2984 8.2390 121.0329 56.4140 40.5484 178.2629 26 V 3.9809 6.9585 108.4151 59.9236 32.2820 176.6133 27 G 3.9475 8.0194 107.7503 46.0533 0.0000 174.8610 28 W 4.9154 7.9715 118.0624 56.9707 28.7389 177.4436 29 N 4.6277 7.9206 117.7414 55.2470 38.2539 174.7482 30 D 4.9824 8.0429 114.0951 53.0596 40.9212 175.5125 31 W 4.8590 8.0716 116.6743 56.5600 31.2031 174.8613 32 I 4.4066 7.0093 121.3017 59.7788 36.8348 176.3436 33 V 4.0185 8.5792 121.4923 63.5788 32.3600 176.7987 34 A 4.5311 7.5959 120.5982 50.4456 21.6319 174.0977 35 P 5.0490 0.0000 0.0000 61.2224 33.0688 174.6395 36 P 4.4472 0.0000 0.0000 63.7974 31.3632 176.5809 37 G 2.9232 7.5292 105.0497 45.6374 0.0000 170.6809 38 Y 4.7277 6.0861 115.4515 56.0136 41.6840 174.0279 39 H 4.4631 8.9716 117.8171 55.6287 28.5552 175.0137 40 A 4.2695 8.4735 127.3520 52.3532 19.9173 177.8246 41 F 4.2418 7.9784 115.3572 57.4114 38.5015 173.0589 42 Y 5.0638 8.6774 118.1243 56.7090 41.5636 172.6893 43 C 5.4251 8.6278 116.9997 55.8160 40.1740 173.0023 44 H 4.6893 8.8340 119.9316 56.1023 33.5471 172.3634 45 G 4.3622 8.6385 108.8815 42.7428 0.0000 173.3360 46 E 4.1351 9.2809 120.4100 56.6267 29.8556 176.2260 47 C 4.7556 8.3621 120.1149 54.5264 40.1816 171.9794 48 P 4.6118 0.0000 0.0000 61.5475 32.7533 175.6891 49 F 4.4724 8.4372 120.5556 55.8203 40.4595 173.4814 50 P 3.2881 0.0000 0.0000 60.9376 32.4793 175.3350 51 L 4.0510 7.8549 118.8071 53.6398 41.8266 177.3119 52 A 4.0711 8.2430 126.8447 51.5804 19.3284 177.0524 53 D 4.3011 8.7373 119.1070 58.0729 41.1048 178.7042 54 H 4.4050 8.0091 111.2626 57.0043 28.7228 175.5617 55 L 4.1611 7.8082 120.1782 54.6165 42.3801 175.8278 56 N 4.4116 7.7560 115.9469 54.2561 36.4048 173.9297 57 S 5.0565 7.7215 112.1340 57.2014 65.1112 175.3369 58 T 4.4214 7.9804 112.9044 60.7635 71.3812 175.4344 59 N 4.3007 8.6424 118.8137 56.9649 38.5310 176.9694 60 H 4.0645 8.2783 118.6930 59.2963 29.9572 177.0008 61 A 4.1874 7.7452 122.0498 54.9100 18.1343 179.6104 62 I 3.6741 7.8283 118.4917 64.5608 37.1515 178.8400 63 V 3.5759 8.0690 119.4048 66.0922 31.3865 177.8987 64 Q 3.9290 8.5570 119.6379 59.2931 28.8594 178.3106 65 T 3.9140 8.1168 116.9718 66.5559 68.2922 176.5506 66 L 3.8706 7.5065 119.5048 57.7871 42.0135 179.3126 67 V 3.6880 7.8794 118.2230 66.1044 31.5750 177.3168 68 N 4.5659 8.6202 117.3687 56.8886 38.5260 176.5600 69 S 4.3453 7.7545 113.1771 60.0880 63.1976 174.7527 70 V 4.1074 6.9802 119.2487 63.0765 33.2823 175.0259 71 N 4.6086 8.0368 118.3857 53.0652 39.5685 174.3012 72 S 4.5941 8.4509 119.1688 58.7555 63.6949 175.5577 73 K 4.1096 7.9575 120.1955 58.0926 32.0919 176.4910 74 I 4.3732 7.4845 121.0087 58.3388 38.2639 173.9814 75 P 4.4031 0.0000 0.0000 62.4910 31.6400 176.3166 76 K 4.1539 8.3177 118.7444 55.9695 32.6603 176.5577 77 A 4.3275 8.3216 122.4972 52.4938 19.4044 176.1998 78 C 4.8003 8.6707 118.8644 57.5661 34.8747 172.4592 79 C 5.0147 8.8340 125.7467 56.5314 41.6127 172.5925 80 V 4.7648 8.9091 119.4598 58.6452 36.3819 173.3330 81 P 4.9346 0.0000 0.0000 63.1793 31.2495 176.6871 82 T 4.5650 8.9982 114.0891 61.6428 70.3563 174.0470 83 E 4.7820 7.8897 123.1649 54.9340 33.2377 173.5587 84 L 5.5645 8.5578 124.9645 53.3343 46.3882 174.9991 85 S 4.8417 9.0699 114.0608 57.0108 67.1258 172.8358 86 A 5.2064 8.5437 122.0035 50.9606 20.8006 176.3530 87 I 4.7331 8.3947 111.3601 59.5133 41.3643 174.6540 88 S 5.1470 8.6827 119.7138 58.4614 64.1914 173.5216 89 M 5.0426 9.3419 122.1712 53.6331 36.6107 173.8044 90 L 5.2511 8.7857 124.7366 53.9856 44.4211 174.7201 91 Y 5.2800 8.3581 121.9899 56.2046 41.6629 173.3159 92 L 5.0168 9.6839 121.4685 53.5586 43.4058 176.1514 93 D 5.2422 8.3669 122.1152 51.6376 42.5381 175.9676 94 E 3.8978 9.1570 115.6670 60.3590 29.1478 178.6488 95 N 4.5829 8.0978 113.5726 52.3425 37.9735 174.6895 96 E 3.8694 7.8225 115.5996 57.1278 27.5609 174.1317 97 K 4.2493 10.7800 119.6915 55.4124 33.6765 176.6552 98 V 4.2319 8.3980 121.6006 60.9157 29.9270 174.8165 99 V 4.2265 8.3419 124.8812 60.6266 34.2717 173.7763 100 L 4.8967 8.2813 128.6921 54.2927 42.9844 175.6574 101 K 4.6844 9.2513 126.8462 54.8581 36.0919 174.0312 102 N 5.2601 8.7533 125.4076 52.6108 40.6531 173.3828 103 Y 4.5691 9.1023 123.8704 56.1522 40.4761 175.6107 104 Q 4.4040 8.8495 123.3540 55.7310 30.1237 175.1833 105 D 4.4771 8.4987 117.4775 56.0854 38.4589 174.8900 106 M 4.5115 8.5876 119.5731 56.2584 33.6767 177.6802 107 V 4.8582 7.7577 117.9561 60.9013 34.9770 174.7958 108 V 4.1517 8.7665 128.2801 62.8417 31.1646 175.3514 109 E 4.2232 9.5187 128.9989 58.3659 30.5564 176.8667 110 G 4.1748 7.6812 103.6716 45.4865 0.0000 173.0437 111 C 5.6000 8.6606 118.0782 55.3857 42.4930 173.0602 112 G 4.1026 9.0516 107.4395 46.0543 0.0000 170.7572 113 C 5.4561 8.8851 117.2788 55.2265 42.5062 175.0467 114 R 4.3087 8.9148 122.5348 56.3000 30.6434 175.4780 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 12 S 8.19 4.52 0.00 3.83 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 13 S 8.41 5.01 0.00 3.84 3.78 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 14 C 8.22 4.14 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.67 4.43 0.00 1.73 1.80 0.00 1.26 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.03 7.81 16 R 8.36 4.69 0.00 1.75 1.74 0.00 2.88 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 17 H 9.25 5.14 0.00 2.07 2.94 0.00 5.87 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.49 0.00 2.07 2.08 0.00 3.87 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 2.05 2.01 0.00 19 L 7.79 4.17 0.00 1.98 1.57 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.36 4.45 0.00 2.78 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 21 V 7.44 3.74 1.38 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 0.67 0.00 0.00 0.51 0.00 0.00 22 D 8.02 4.63 0.00 2.86 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 23 F 9.02 4.63 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 24 S 8.29 4.12 0.00 4.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.24 4.30 0.00 2.71 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 26 V 6.96 3.98 0.67 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 0.18 0.00 0.00 0.09 0.00 0.00 27 G 8.02 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 0.00 0.00 0.00 28 W 7.97 4.92 0.00 3.22 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 0.00 0.00 0.00 29 N 7.92 4.63 0.00 2.68 2.89 0.00 0.00 6.85 8.34 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 30 D 8.04 4.98 0.00 2.85 2.76 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 31 W 8.07 4.86 0.00 3.42 3.29 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 32 I 7.01 4.41 1.33 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 -0.30 -0.36 0.59 0.00 0.00 33 V 8.58 4.02 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 0.65 0.00 0.00 0.95 0.00 0.00 34 A 7.60 4.53 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 35 P 0.00 5.05 0.00 2.44 2.19 0.00 3.91 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 2.30 2.09 0.00 36 P 0.00 4.45 0.00 2.25 2.18 0.00 3.77 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 2.13 0.00 37 G 7.53 2.92 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 38 Y 6.09 4.73 0.00 3.01 2.89 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 0.00 0.00 0.00 39 H 8.97 4.46 0.00 3.08 2.80 0.00 5.89 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 40 A 8.47 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.98 4.24 0.00 3.26 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.68 5.06 0.00 3.09 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 43 C 8.63 5.43 0.00 2.94 3.06 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 0.00 0.00 0.00 44 H 8.83 4.69 0.00 3.42 3.00 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.64 4.36 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 0.00 46 E 9.28 4.14 0.00 2.16 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 2.33 2.44 0.00 47 C 8.36 4.76 0.00 3.02 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 48 P 0.00 4.61 0.00 2.18 2.09 0.00 3.72 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 1.93 1.94 0.00 49 F 8.44 4.47 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.29 0.00 1.71 0.84 0.00 3.62 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 51 L 7.85 4.05 0.00 1.58 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.24 4.07 1.13 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 0.00 0.00 53 D 8.74 4.30 0.00 2.66 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 54 H 8.01 4.40 0.00 3.25 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.81 4.16 0.00 1.77 1.67 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.76 4.41 0.00 2.79 2.81 0.00 0.00 6.92 7.02 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 57 S 7.72 5.06 0.00 3.84 3.78 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 58 T 7.98 4.42 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 1.22 0.00 0.00 59 N 8.64 4.30 0.00 2.77 2.94 0.00 0.00 6.43 8.16 0.00 0.00 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 H 8.28 4.06 0.00 3.21 3.32 0.00 5.67 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 61 A 7.75 4.19 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.83 3.67 2.03 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 1.40 1.22 0.96 0.00 0.00 63 V 8.07 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 64 Q 8.56 3.93 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 65 T 8.12 3.91 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 66 L 7.51 3.87 0.00 1.71 1.67 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.88 3.69 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 0.98 0.00 0.00 0.99 0.00 0.00 68 N 8.62 4.57 0.00 3.00 3.05 0.00 0.00 7.01 7.40 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 69 S 7.75 4.35 0.00 3.99 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 70 V 6.98 4.11 2.03 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 0.76 0.00 0.00 0.88 0.00 0.00 71 N 8.04 4.61 0.00 2.75 2.76 0.00 0.00 6.77 7.09 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 72 S 8.45 4.59 0.00 4.02 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 73 K 7.96 4.11 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 74 I 7.48 4.37 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.92 0.00 0.00 75 P 0.00 4.40 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 76 K 8.32 4.15 0.00 1.79 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.53 1.49 7.81 77 A 8.32 4.33 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 78 C 8.67 4.80 0.00 3.02 2.76 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 79 C 8.83 5.01 0.00 3.16 3.03 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 80 V 8.91 4.76 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 0.73 0.00 0.00 1.01 0.00 0.00 81 P 0.00 4.93 0.00 1.99 2.05 0.00 3.69 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 2.10 2.17 0.00 82 T 9.00 4.57 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 1.30 0.00 0.00 83 E 7.89 4.78 0.00 2.02 1.75 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 2.28 2.35 0.00 84 L 8.56 5.56 0.00 1.55 1.57 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.07 4.84 0.00 3.87 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 86 A 8.54 5.21 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 87 I 8.39 4.73 1.82 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.96 0.88 0.00 0.00 88 S 8.68 5.15 0.00 3.83 3.89 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 0.00 0.00 0.00 89 M 9.34 5.04 0.00 1.74 1.88 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 90 L 8.79 5.25 0.00 1.79 1.54 0.95 1.07 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 91 Y 8.36 5.28 0.00 3.43 3.03 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 92 L 9.68 5.02 0.00 1.71 1.74 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.37 5.24 0.00 2.81 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 94 E 9.16 3.90 0.00 2.07 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 0.00 2.28 2.29 0.00 95 N 8.10 4.58 0.00 2.88 2.87 0.00 0.00 7.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.82 3.87 0.00 2.10 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 2.28 2.24 0.00 97 K 10.78 4.25 0.00 1.85 1.60 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 98 V 8.40 4.23 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 0.69 0.00 0.00 0.90 0.00 0.00 99 V 8.34 4.23 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 0.84 0.00 0.00 0.82 0.00 0.00 100 L 8.28 4.90 0.00 1.68 1.55 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.25 4.68 0.00 2.10 1.94 0.00 1.66 0.00 0.00 0.61 0.00 0.00 2.23 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.83 1.23 7.81 102 N 8.75 5.26 0.00 2.77 2.68 0.00 0.00 6.90 7.54 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 0.00 103 Y 9.10 4.57 0.00 2.91 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 0.00 104 Q 8.85 4.40 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 105 D 8.50 4.48 0.00 2.87 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 0.00 106 M 8.59 4.51 0.00 1.73 2.11 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.96 0.00 107 V 7.76 4.86 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 1.38 0.00 0.00 1.30 0.00 0.00 108 V 8.77 4.15 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 0.84 0.00 0.00 1.14 0.00 0.00 109 E 9.52 4.22 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 110 G 7.68 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.66 5.60 0.00 2.81 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 0.00 112 G 9.05 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 0.00 0.00 0.00 113 C 8.89 5.46 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 0.00 114 R 8.91 4.31 0.00 1.69 1.77 0.00 3.33 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00