NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4686 8.2893 120.3515 55.4141 33.3864 174.3344 2 E 4.8229 8.4529 122.6506 54.1492 33.3063 172.8205 3 A 4.7918 8.9377 122.8520 49.9360 22.6814 176.5367 4 K 4.8756 8.5820 118.7673 55.4427 35.6445 174.3334 5 A 4.3520 8.5292 119.7324 52.9835 20.6934 174.9448 6 I 3.0271 7.7286 125.5549 61.2232 34.7607 173.2628 7 A 4.4764 9.1607 130.1464 50.5652 19.3920 176.1594 8 R 4.4381 8.4019 122.1972 56.6139 31.4674 176.1947 9 Y 3.6536 8.3483 118.1827 58.9691 35.1212 170.8515 10 V 3.3635 7.7765 120.9111 66.5499 31.7683 177.3408 11 R 4.0357 8.5037 114.9876 56.3304 28.1461 174.3865 12 I 4.6319 6.7448 115.2501 59.1897 41.9785 173.4778 13 S 4.3367 8.6420 118.5795 57.5076 62.9870 172.6961 14 P 4.1149 0.0000 0.0000 65.9433 30.9505 178.0375 15 R 4.0012 8.1468 116.7918 59.7750 29.5959 178.6568 16 K 3.9408 8.4053 117.5997 59.3700 32.4899 179.2514 17 V 3.8050 7.7379 118.0563 65.7039 31.4731 177.7738 18 R 3.9220 8.4641 118.4797 59.6443 29.7505 178.4546 19 L 3.9588 7.1990 116.6676 58.0846 41.9398 179.6072 20 V 3.9582 8.3323 111.7754 63.6972 31.9811 178.3710 21 V 3.5983 7.8978 117.5065 66.4072 30.6629 177.4666 22 D 4.3837 8.5022 118.6931 57.5611 40.4712 178.5940 23 L 4.0464 7.6738 118.3957 57.0011 41.7302 178.1575 24 I 4.3381 7.3123 108.5182 60.0678 38.2665 175.5995 25 R 3.8418 7.5831 122.5259 57.8370 30.0924 176.1924 26 G 3.9883 8.6814 114.5849 46.9634 0.0000 173.2505 27 K 4.7369 7.7889 117.1525 53.0573 35.8086 176.0572 28 S 4.4453 8.7902 116.1133 59.3453 63.8087 175.3817 29 L 3.8167 8.6935 127.3907 58.4213 41.7247 179.0210 30 E 3.8995 8.1413 118.5853 59.2883 29.7469 178.1515 31 E 3.9236 8.6455 119.4762 59.2434 29.6873 178.5962 32 A 3.9995 8.2877 120.9693 55.1691 18.4239 179.7095 33 R 3.8538 8.1349 116.4925 59.5254 29.9898 178.8705 34 N 4.3993 7.8405 114.5034 56.7235 38.9139 176.8962 35 I 3.8447 8.3565 121.0934 64.7638 37.1675 178.0748 36 L 3.9384 8.2328 119.1303 58.1309 41.3811 179.5795 37 R 3.7552 7.5348 117.0539 59.0190 29.9746 176.9857 38 Y 4.6711 7.7191 113.8538 57.8617 38.6095 175.3162 39 T 4.4474 7.8736 117.3747 62.5198 69.6615 175.7599 40 N 4.7061 8.4713 126.4203 51.3108 37.7657 173.1390 41 K 4.5449 7.6264 118.7696 54.5452 36.3963 176.7849 42 R 3.8711 8.9476 123.7565 59.5054 30.5245 178.4544 43 G 4.0009 8.5591 104.0228 48.0295 0.0000 174.6853 44 A 4.0016 7.8190 122.6170 55.8536 18.3146 178.4511 45 Y 3.9365 7.6417 115.4854 61.2970 38.6572 178.3023 46 F 4.2022 7.6769 117.2684 61.1424 39.2556 178.1644 47 V 3.6239 8.2122 117.1754 65.7152 31.2580 177.9247 48 A 3.8907 8.5886 121.0064 54.9683 18.2535 179.2696 49 K 3.6427 7.8453 118.3992 59.7422 32.0919 179.3086 50 V 3.5706 7.8021 119.2567 64.4438 31.4894 177.6802 51 L 3.8174 8.4339 121.6885 58.0577 41.8196 178.7016 52 E 3.8417 8.7085 118.9488 59.4931 29.7798 178.6059 53 S 4.0621 8.0355 112.8789 61.2469 62.3148 175.9678 54 A 3.9162 8.2272 123.3917 55.0139 18.0119 179.2553 55 A 3.8573 7.9047 118.7282 56.0620 18.5621 178.8721 56 A 3.6307 8.6739 115.4469 56.1052 18.2344 180.4470 57 N 3.9645 8.2039 111.0377 54.4935 39.2541 176.7825 58 A 3.6696 9.4504 118.0911 56.2037 17.9784 179.8811 59 V 3.3668 6.7324 115.4952 65.1771 32.3880 177.3543 60 N 4.2871 8.8035 117.4138 56.7573 39.2293 175.9211 61 N 4.6266 8.4037 115.3271 54.3465 39.2919 175.4509 62 H 4.6527 8.3917 115.4828 57.2068 29.7074 175.0634 63 D 4.4238 7.5176 112.6961 55.0064 37.1339 172.9383 64 M 4.4219 8.2975 127.8683 55.2052 35.1992 175.2236 65 L 3.8919 8.3219 118.2595 55.2603 38.3439 174.5951 66 E 3.7595 8.2142 122.7693 59.2068 30.3874 178.9548 67 D 4.4569 8.1212 118.1074 57.2267 41.1605 178.2631 68 R 4.3311 8.5153 116.8935 56.9309 31.2326 176.3668 69 L 5.0008 7.8243 118.9215 54.8120 43.2114 175.6730 70 Y 5.1497 9.2408 119.9017 55.4330 42.5563 174.8142 71 V 3.7918 8.4629 119.6043 61.5736 30.4905 176.2142 72 K 3.4553 7.9892 126.7294 58.3986 32.1804 175.8111 73 A 4.8901 8.0530 119.2816 50.7309 23.2368 173.7744 74 A 4.6765 7.9408 118.6064 51.4424 22.2267 175.3598 75 Y 4.6909 7.7246 115.2869 56.6098 41.5165 173.3408 76 V 5.1437 8.7124 113.5455 59.9428 35.1941 174.7460 77 D 4.8953 8.3719 120.4287 52.3710 45.4183 174.5189 78 E 4.3176 8.8551 123.6666 56.3716 30.3288 176.8528 79 G 3.9238 8.1509 115.4870 44.1264 0.0000 171.1302 80 P 4.4655 0.0000 0.0000 62.5033 31.9457 176.0117 81 A 4.3420 8.3547 123.0621 51.7963 19.9933 176.5109 82 L 4.5252 9.1509 120.7677 53.2822 43.4707 175.9518 83 K 4.9315 8.6178 124.1245 55.3466 33.3676 176.5027 84 R 4.7195 9.1503 123.8937 54.1892 34.1941 174.9262 85 V 4.2895 8.4075 122.6392 62.5218 32.9090 174.9183 86 L 4.7278 9.2701 129.1978 52.6326 44.6841 173.7509 87 P 4.7466 0.0000 0.0000 62.7091 32.3796 175.7574 88 R 4.8402 8.3318 120.6978 53.9048 34.6264 174.5921 89 A 4.0984 8.5629 121.6780 53.2755 18.8035 177.1460 90 R 4.2055 9.4276 115.2660 57.0910 28.3638 176.7663 91 G 3.8088 7.3496 99.9580 46.8928 0.0000 174.1357 92 R 4.0008 7.8451 119.2658 57.1989 31.6306 173.4881 93 A 3.7699 8.0471 131.4510 52.1761 15.3402 176.6893 94 D 5.0185 9.1204 121.3381 53.6845 43.8156 175.7009 95 I 4.7183 8.0948 114.2233 59.6172 39.1322 175.2189 96 I 4.1710 9.0883 128.7965 60.4454 38.9056 175.4227 97 K 4.8844 8.4340 125.4233 54.3809 33.2654 175.8785 98 K 4.0991 8.7942 125.9298 56.6192 32.7226 177.4954 99 R 4.6540 8.4753 124.4241 55.5515 32.0616 175.4345 100 T 4.8346 8.1648 113.3320 60.7146 71.5317 172.2808 101 S 5.0894 8.5106 119.4731 57.0742 66.8949 173.0689 102 H 5.1338 9.0044 120.1128 54.1224 30.0847 172.1113 103 I 4.3577 8.7057 124.6267 60.8096 38.6570 174.9711 104 T 4.8229 8.6026 123.3294 61.5289 71.8903 173.1664 105 V 4.5674 8.1524 125.1321 60.7891 35.2207 173.8851 106 I 4.9874 8.7315 121.0034 59.1150 40.4420 174.1330 107 L 5.2361 8.5795 126.9304 52.4692 43.9420 176.0030 108 G 4.3714 7.8351 108.8820 44.4991 0.0000 171.2000 109 E 4.8429 8.6538 118.6272 56.2129 30.9908 175.3235 110 K 3.6080 9.1300 125.4509 57.2048 31.1830 178.8131 111 H 4.8950 9.0258 118.0110 55.9964 29.9553 175.2351 112 G 3.2784 8.6797 100.8206 45.5609 0.0000 173.9998 113 K 4.2100 8.0925 126.4653 54.8053 32.1525 176.4822 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 8.29 4.47 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 2 E 8.45 4.82 0.00 2.04 1.79 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 2.13 2.34 0.00 3 A 8.94 4.79 1.10 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 4 K 8.58 4.88 0.00 1.64 1.68 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.36 7.81 5 A 8.53 4.35 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.73 3.03 1.83 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 1.30 0.42 0.85 0.00 0.00 7 A 9.16 4.48 1.22 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 8 R 8.40 4.44 0.00 1.84 1.42 0.00 3.24 0.00 0.00 2.79 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.53 0.00 9 Y 8.35 3.65 0.00 3.19 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 10 V 7.78 3.36 1.80 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 -0.41 0.00 0.00 0.79 0.00 0.00 11 R 8.50 4.04 0.00 1.87 2.22 0.00 3.45 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 12 I 6.74 4.63 1.84 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 0.78 0.00 0.00 13 S 8.64 4.34 0.00 3.90 3.72 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 14 P 0.00 4.11 0.00 2.19 2.06 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 15 R 8.15 4.00 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 16 K 8.41 3.94 0.00 1.93 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.46 7.81 17 V 7.74 3.80 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 1.16 0.00 0.00 1.03 0.00 0.00 18 R 8.46 3.92 0.00 2.03 2.02 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 19 L 7.20 3.96 0.00 1.93 1.79 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.33 3.96 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 0.94 0.00 0.00 1.00 0.00 0.00 21 V 7.90 3.60 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 1.07 0.00 0.00 0.98 0.00 0.00 22 D 8.50 4.38 0.00 2.94 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 23 L 7.67 4.05 0.00 1.89 1.78 0.94 0.62 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 24 I 7.31 4.34 1.87 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 1.18 0.81 0.92 0.00 0.00 25 R 7.58 3.84 0.00 1.82 1.91 0.00 3.36 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 26 G 8.68 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 0.00 0.00 0.00 27 K 7.79 4.74 0.00 1.82 1.88 0.00 1.95 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.53 7.81 28 S 8.79 4.45 0.00 4.08 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 29 L 8.69 3.82 0.00 1.81 1.78 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.14 3.90 0.00 2.09 1.95 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 2.40 2.38 0.00 31 E 8.65 3.92 0.00 2.07 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 0.00 2.33 2.35 0.00 32 A 8.29 4.00 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 33 R 8.13 3.85 0.00 2.18 2.01 0.00 3.39 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 34 N 7.84 4.40 0.00 2.92 2.97 0.00 0.00 7.14 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 35 I 8.36 3.84 2.04 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 1.56 0.93 0.95 0.00 0.00 36 L 8.23 3.94 0.00 1.68 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.53 3.76 0.00 1.88 2.26 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.09 0.00 38 Y 7.72 4.67 0.00 3.01 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 39 T 7.87 4.45 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 40 N 8.47 4.71 0.00 2.69 2.76 0.00 0.00 6.99 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 41 K 7.63 4.54 0.00 1.81 1.67 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.38 7.81 42 R 8.95 3.87 0.00 1.86 2.00 0.00 3.27 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 43 G 8.56 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 0.00 0.00 0.00 44 A 7.82 4.00 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 45 Y 7.64 3.94 0.00 2.84 2.64 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 0.00 0.00 0.00 46 F 7.68 4.20 0.00 3.33 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 47 V 8.21 3.62 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 1.00 0.00 0.00 1.02 0.00 0.00 48 A 8.59 3.89 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 49 K 7.85 3.64 0.00 1.51 1.81 0.00 1.39 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.35 1.31 7.81 50 V 7.80 3.57 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 0.77 0.00 0.00 0.86 0.00 0.00 51 L 8.43 3.82 0.00 1.82 1.88 0.90 1.02 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 52 E 8.71 3.84 0.00 2.16 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 0.00 2.27 2.34 0.00 53 S 8.04 4.06 0.00 3.92 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 54 A 8.23 3.92 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 55 A 7.90 3.86 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 56 A 8.67 3.63 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 57 N 8.20 3.96 0.00 3.13 2.81 0.00 0.00 7.06 6.74 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 58 A 9.45 3.67 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 59 V 6.73 3.37 2.33 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 0.98 0.00 0.00 0.96 0.00 0.00 60 N 8.80 4.29 0.00 2.81 2.82 0.00 0.00 7.36 7.72 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 61 N 8.40 4.63 0.00 2.65 2.65 0.00 0.00 6.91 8.14 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 62 H 8.39 4.65 0.00 3.14 3.26 0.00 5.86 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.52 4.42 0.00 2.87 3.08 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 64 M 8.30 4.42 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 65 L 8.32 3.89 0.00 1.79 2.04 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.21 3.76 0.00 2.01 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 0.00 2.39 2.40 0.00 67 D 8.12 4.46 0.00 2.70 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 68 R 8.52 4.33 0.00 1.93 1.96 0.00 3.09 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 69 L 7.82 5.00 0.00 1.71 1.72 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.24 5.15 0.00 3.02 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 71 V 8.46 3.79 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 0.81 0.00 0.00 0.98 0.00 0.00 72 K 7.99 3.46 0.00 1.34 1.76 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.45 7.81 73 A 8.05 4.89 1.24 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 0.00 0.00 74 A 7.94 4.68 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 75 Y 7.72 4.69 0.00 2.91 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 76 V 8.71 5.14 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 0.77 0.00 0.00 0.95 0.00 0.00 77 D 8.37 4.90 0.00 2.64 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 78 E 8.86 4.32 0.00 1.93 1.83 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 2.26 2.33 0.00 79 G 8.15 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 80 P 0.00 4.47 0.00 2.24 2.13 0.00 3.91 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 2.15 2.15 0.00 81 A 8.35 4.34 1.24 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 0.00 0.00 82 L 9.15 4.53 0.00 1.79 1.61 0.93 0.43 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 83 K 8.62 4.93 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 R 9.15 4.72 0.00 1.63 1.76 0.00 3.28 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 85 V 8.41 4.29 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 0.73 0.00 0.00 0.93 0.00 0.00 86 L 9.27 4.73 0.00 1.72 1.59 0.92 1.14 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 87 P 0.00 4.75 0.00 1.98 1.96 0.00 3.67 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 2.11 0.00 88 R 8.33 4.84 0.00 1.68 1.81 0.00 3.30 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 89 A 8.56 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 90 R 9.43 4.21 0.00 1.92 1.98 0.00 3.35 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 G 7.35 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 92 R 7.85 4.00 0.00 1.96 1.92 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 93 A 8.05 3.77 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 94 D 9.12 5.02 0.00 2.59 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 95 I 8.09 4.72 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 1.34 0.61 0.91 0.00 0.00 96 I 9.09 4.17 1.99 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 1.23 0.51 0.91 0.00 0.00 97 K 8.43 4.88 0.00 1.61 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.43 7.81 98 K 8.79 4.10 0.00 1.70 1.78 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 99 R 8.48 4.65 0.00 1.68 1.98 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 100 T 8.16 4.83 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 1.28 0.00 0.00 101 S 8.51 5.09 0.00 3.65 3.63 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 0.00 102 H 9.00 5.13 0.00 3.09 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.71 4.36 1.84 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 1.20 0.88 0.87 0.00 0.00 104 T 8.60 4.82 3.31 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 0.64 0.00 0.00 105 V 8.15 4.57 1.97 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 0.94 0.00 0.00 0.83 0.00 0.00 106 I 8.73 4.99 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.80 0.00 0.00 107 L 8.58 5.24 0.00 1.52 1.52 0.85 0.66 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 0.00 108 G 7.84 4.37 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 0.00 109 E 8.65 4.84 0.00 1.91 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 0.00 2.28 2.32 0.00 110 K 9.13 3.61 0.00 1.77 1.51 0.00 1.01 0.00 0.00 0.87 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.35 7.81 111 H 9.03 4.89 0.00 3.21 3.02 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.68 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 0.00 113 K 8.09 4.21 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81