NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3934 8.4045 120.3503 54.7851 32.3692 174.8755 2 E 3.9852 8.4866 124.0172 56.2657 30.7522 172.4919 3 L 5.1083 8.7071 124.0023 52.8171 45.3337 175.4907 4 T 4.8030 8.8690 115.4056 61.2394 71.1028 172.1528 5 T 5.2669 8.5030 109.3033 60.3619 72.2255 173.0195 6 R 4.7509 9.0024 121.3967 55.2299 34.3229 173.4783 7 T 4.9872 8.3644 120.0940 61.7455 70.6857 174.0236 8 L 4.4031 9.0799 127.9196 53.3142 42.7877 175.5042 9 P 4.5864 0.0000 0.0000 62.2556 32.1850 176.3826 10 A 4.2096 8.4678 121.5538 54.5043 18.3748 178.0511 11 R 4.1370 7.6683 117.2007 55.1741 29.8696 175.7242 12 K 4.4131 8.4977 125.2203 56.2761 34.2415 176.1605 13 H 5.2009 9.5455 121.1294 54.8888 30.1548 173.9823 14 I 4.9977 9.3037 125.5047 59.5142 39.4918 174.7606 15 A 5.1194 9.0319 129.4759 50.4949 21.1161 175.5600 16 L 4.9991 9.1866 123.1883 52.9273 44.4448 175.9078 17 V 4.7350 8.9392 123.7725 61.0468 35.0211 174.0893 18 A 5.3531 8.3860 126.8330 50.8456 22.3525 175.7774 19 H 4.6960 9.3646 119.2538 55.6275 30.0161 176.3584 20 D 4.4381 9.2124 121.0387 58.3277 40.6672 179.0770 21 H 4.4888 8.2585 112.2983 57.5107 29.1784 176.1072 22 C 4.8055 8.4193 117.1452 59.2829 28.5883 175.6483 23 K 4.1549 8.1066 124.8126 60.2997 31.6766 179.8084 24 Q 4.0810 8.1446 120.5066 60.3113 28.0338 179.9796 25 M 4.3272 8.0934 119.4475 58.6623 32.3940 178.0021 26 L 4.1969 8.1907 120.3176 58.3039 42.1520 178.6564 27 M 4.1099 8.5077 119.0437 58.7181 31.9011 178.8853 28 S 4.1673 8.3066 115.0492 61.3884 62.9005 176.5929 29 W 4.1930 8.4713 131.0326 60.5316 30.2647 178.1909 30 V 3.4897 8.3749 117.4512 66.0707 31.3461 177.5487 31 E 4.0650 8.4749 118.5997 59.4123 29.0739 179.3057 32 R 3.8662 8.0675 117.9944 58.6514 30.2169 176.7930 33 H 4.6525 7.2872 114.1694 55.3223 29.5378 175.6444 34 Q 3.8877 7.7629 122.8785 59.2250 28.4324 176.7868 35 P 4.3635 0.0000 0.0000 65.7320 31.6599 177.8956 36 L 4.2056 7.7480 118.2482 58.0276 42.2286 178.7208 37 L 4.1987 8.1418 119.0113 57.7276 41.3135 179.1341 38 E 4.0495 8.4589 117.9919 58.7826 29.4281 178.4425 39 Q 4.2526 7.8959 116.3180 56.6790 29.3363 174.4271 40 H 4.9288 7.9750 116.5927 53.8472 32.4925 173.1976 41 V 4.1939 8.5170 119.3173 61.8727 32.8166 174.6532 42 L 5.2590 8.3605 127.7968 53.6150 43.9875 175.1603 43 Y 5.2541 9.3775 119.8315 56.6701 42.4649 174.1635 44 A 5.3278 8.7480 121.4739 52.0549 23.5748 175.9301 45 T 4.1199 8.5785 109.6557 61.2702 70.4416 175.4486 46 G 3.8924 8.8906 107.2794 48.8263 0.0000 176.2371 47 T 3.8880 7.7355 116.9458 66.0633 68.8630 176.7740 48 T 3.9934 8.0751 117.2881 66.8182 68.5250 176.3280 49 G 3.7563 8.4750 107.6198 48.2322 0.0000 175.3539 50 N 4.4169 8.0260 118.6815 55.8570 38.5650 177.6315 51 L 4.0414 8.0866 120.5075 57.7062 41.7195 179.4604 52 I 3.7063 7.9442 120.0133 64.5375 37.0816 178.6445 53 S 4.5127 8.2063 118.7711 61.7213 62.5145 177.3451 54 R 3.9208 8.0199 123.1143 60.6091 29.1690 180.4858 55 A 4.5843 7.7690 119.0158 53.7186 19.4781 178.5203 56 T 4.3963 8.4230 106.1877 60.7960 70.0622 175.9534 57 G 3.9148 8.1565 109.3029 45.8763 0.0000 173.8980 58 M 4.1889 7.7860 119.7950 54.8887 32.6172 174.9743 59 N 4.6317 8.4631 119.9558 52.6361 39.5042 174.3499 60 V 4.4194 8.0786 125.4157 61.1131 34.5084 175.0681 61 N 4.6120 8.9596 126.0051 52.4781 38.4663 173.5370 62 A 4.6810 8.3441 125.6785 52.0235 19.3939 176.7175 63 M 4.6846 8.7855 123.3716 53.8934 35.6148 175.7028 64 L 4.2630 8.9385 119.4578 54.9963 43.2983 177.0288 65 S 4.3934 8.6611 115.3155 58.5666 63.4398 175.0828 66 G 3.7754 9.0652 112.1363 47.9082 0.0000 174.2784 67 P 4.1886 0.0000 0.0000 64.6365 31.3806 177.5854 68 M 4.4127 7.9358 114.7711 54.7831 32.6474 175.6714 69 G 3.7222 8.1234 108.3811 45.3612 0.0000 176.4674 70 G 3.6922 8.7016 108.6442 48.1790 0.0000 175.5730 71 D 4.3042 8.0303 120.4961 57.1835 40.8091 178.6156 72 Q 4.0091 7.9774 117.9466 58.4594 28.8334 178.4289 73 Q 3.9234 7.8710 119.4859 58.8561 28.7029 178.7707 74 V 3.5729 7.8353 119.4107 65.8594 31.5628 178.1964 75 G 3.5773 8.2596 105.4481 47.7586 0.0000 175.4493 76 A 3.9229 8.2352 123.4639 54.8301 18.3193 179.6726 77 L 3.7629 7.7680 117.4435 57.8973 41.6480 179.7661 78 I 3.5043 7.7348 120.0080 64.4058 36.8822 178.6488 79 S 2.7900 7.6036 113.0586 60.0049 62.9216 175.1954 80 E 4.0649 7.2438 119.9698 55.4624 29.4813 176.6480 81 G 3.6408 7.1134 107.0767 46.0730 0.0000 174.6747 82 K 4.1610 7.8520 117.3530 55.9004 32.6285 176.6583 83 I 4.4044 7.1965 119.5750 59.5090 39.9528 174.6523 84 D 4.8819 9.0260 124.2286 54.7014 42.8243 176.9739 85 V 4.7215 7.6168 117.5817 61.0319 35.5349 173.3478 86 L 5.0489 8.9611 129.0302 53.4373 44.9157 174.9974 87 I 4.5587 8.8338 128.2332 59.8447 38.9904 174.4513 88 F 5.3564 9.3815 131.5221 56.6279 41.0184 173.4416 89 F 5.4808 9.4255 126.7054 56.0884 38.0121 174.8759 90 W 4.4997 7.8997 119.4742 55.0150 29.9946 176.1536 91 D 4.3876 9.0859 121.8970 53.2173 40.3494 174.0808 92 P 4.5288 0.0000 0.0000 63.0696 31.6339 176.2310 93 L 4.8020 8.3544 118.2651 54.2376 42.5480 175.8118 94 N 4.8910 7.9214 114.2318 51.8909 42.5243 173.9319 95 A 4.3626 8.5654 125.7581 51.5953 19.6584 177.0599 96 V 4.5212 8.0608 116.0726 58.4896 34.1553 175.2723 97 P 4.2992 0.0000 0.0000 65.7831 31.5932 176.8224 98 H 4.8810 8.1243 114.7420 55.4287 29.9256 176.7478 99 D 4.2898 7.7827 123.5735 58.1767 41.0593 175.1897 100 P 4.2311 0.0000 0.0000 65.9926 31.1588 178.1192 101 D 4.3376 8.0681 118.1579 56.9889 40.8715 178.6655 102 V 3.7747 7.6861 118.3328 66.2091 31.6078 178.3380 103 K 3.8457 8.1215 117.9411 59.2237 31.8297 179.3166 104 A 3.9974 8.3462 121.5735 54.8703 18.3059 179.4417 105 L 3.8974 8.1705 119.0250 58.4579 42.3477 179.3255 106 L 4.1114 7.9281 118.7011 57.6151 41.4339 179.5526 107 R 3.9007 7.9996 118.9327 59.3435 29.9459 178.6156 108 L 4.0540 8.1074 118.6639 57.7895 41.2571 179.3389 109 A 4.0876 8.2430 120.6886 55.2958 18.1282 179.9606 110 T 3.8966 7.7599 114.0491 66.6901 68.3958 177.2507 111 V 3.3507 7.6377 119.3789 65.6665 31.5190 176.6603 112 W 4.4217 8.3203 116.6239 55.8613 29.2673 175.5981 113 N 4.1652 7.6475 116.3343 54.8234 37.1999 173.3391 114 I 4.6788 7.1932 109.1142 58.2282 40.9504 174.9735 115 P 4.4578 0.0000 0.0000 63.1964 32.2878 175.4119 116 V 5.1177 8.5028 123.0957 61.0288 34.6417 174.1562 117 A 4.9477 9.2605 129.4504 50.4239 21.4539 176.4655 118 T 5.3625 9.0764 110.6877 60.7218 70.0829 173.8609 119 N 4.2275 7.4586 119.2983 50.3200 41.5037 175.1410 120 V 3.3809 7.5781 119.7866 66.0202 31.5413 177.7289 121 A 4.1118 7.8722 119.8982 55.7999 18.2278 179.6713 122 T 3.8780 8.5815 114.2401 66.4880 68.4560 177.0018 123 A 3.9741 8.0012 122.8939 55.2356 18.2035 179.4445 124 D 4.5573 8.8147 117.8959 57.7139 40.7202 179.0461 125 F 3.9176 8.3277 117.2645 60.4148 39.2278 177.6585 126 I 3.9760 7.9744 119.5132 64.4952 36.8683 178.2860 127 I 2.6161 7.6997 117.1757 62.6049 37.8211 176.7121 128 Q 4.2958 7.3990 116.6751 55.2888 29.7600 175.7114 129 S 4.3220 7.4410 116.4280 56.9034 63.2214 172.1245 130 P 4.1330 0.0000 0.0000 67.1902 31.2815 177.4783 131 H 4.5227 8.0657 113.0943 56.1036 28.6812 177.2339 132 F 4.2977 8.3432 123.4895 60.4909 39.2864 175.5906 133 N 4.7804 8.1486 114.8776 53.0170 39.0211 173.4943 134 D 5.1152 7.4861 117.3825 52.2161 44.7637 174.6457 135 A 4.8800 8.3969 121.1947 51.4353 20.1217 177.2823 136 V 4.4262 8.4182 119.6570 60.3450 35.4450 173.3154 137 D 5.3835 8.6207 122.4328 53.1189 42.1115 175.8424 138 I 4.6922 8.7504 116.7274 58.9966 41.1312 174.4383 139 L 5.0673 8.4538 123.2637 54.0487 42.9843 176.0074 140 I 4.9159 8.8512 115.7625 58.1787 41.6152 172.6834 141 P 4.4402 0.0000 0.0000 63.0766 32.1638 176.7461 142 D 4.6754 9.0296 122.4517 53.3161 40.7196 176.4344 143 Y 4.2092 8.7249 130.2099 61.1995 39.0695 177.8801 144 Q 4.0600 8.5093 123.5846 61.2230 28.0615 181.4700 145 R 4.1414 8.1485 122.3415 61.1054 29.2728 179.8790 146 Y 4.1456 7.7497 119.2480 60.5141 39.1384 177.7332 147 L 3.6669 8.2624 121.2961 58.0052 41.7039 178.5562 148 A 3.9524 7.9583 120.7107 55.4750 18.0389 179.3382 149 D 4.0205 7.7682 116.9994 57.2687 40.6669 179.0315 150 R 3.9841 7.5323 117.7779 58.0504 30.1238 177.8263 151 L 4.5155 7.0604 118.6304 54.9471 41.9998 177.3307 152 K 4.1588 7.4422 125.1949 54.7504 31.7318 181.3754 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 8.40 4.39 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 2 E 8.49 3.99 0.00 1.78 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 2.32 1.98 0.00 3 L 8.71 5.11 0.00 1.50 1.59 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.87 4.80 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 1.34 0.00 0.00 5 T 8.50 5.27 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 1.23 0.00 0.00 6 R 9.00 4.75 0.00 1.89 1.79 0.00 3.02 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 7 T 8.36 4.99 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 1.27 0.00 0.00 8 L 9.08 4.40 0.00 1.54 1.57 0.95 0.88 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 9 P 0.00 4.59 0.00 2.27 2.06 0.00 3.88 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 2.09 2.01 0.00 10 A 8.47 4.21 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 11 R 7.67 4.14 0.00 1.72 1.80 0.00 3.18 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 12 K 8.50 4.41 0.00 1.45 1.57 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.61 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 0.70 7.81 13 H 9.55 5.20 0.00 3.17 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.30 5.00 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 1.08 0.00 0.00 15 A 9.03 5.12 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 16 L 9.19 5.00 0.00 1.56 1.56 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.94 4.74 1.70 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 0.85 0.00 0.00 0.68 0.00 0.00 18 A 8.39 5.35 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 19 H 9.36 4.70 0.00 3.26 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.21 4.44 0.00 2.69 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 21 H 8.26 4.49 0.00 3.36 3.37 0.00 5.85 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 22 C 8.42 4.81 0.00 3.24 3.05 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 0.00 0.00 0.00 23 K 8.11 4.15 0.00 1.99 1.92 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.70 7.81 24 Q 8.14 4.08 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 25 M 8.09 4.33 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 26 L 8.19 4.20 0.00 1.87 1.87 0.28 0.88 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 27 M 8.51 4.11 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.02 0.00 28 S 8.31 4.17 0.00 4.15 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 29 W 8.47 4.19 0.00 3.71 3.56 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 30 V 8.37 3.49 2.38 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 0.92 0.00 0.00 1.21 0.00 0.00 31 E 8.47 4.06 0.00 2.18 1.96 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 2.33 2.41 0.00 32 R 8.07 3.87 0.00 1.78 1.82 0.00 2.85 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 33 H 7.29 4.65 0.00 2.44 2.84 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.76 3.89 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 35 P 0.00 4.36 0.00 2.03 2.10 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 36 L 7.75 4.21 0.00 1.77 1.78 1.19 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.14 4.20 0.00 1.72 1.75 0.75 0.92 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 38 E 8.46 4.05 0.00 2.10 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 2.34 2.49 0.00 39 Q 7.90 4.25 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 40 H 7.97 4.93 0.00 3.05 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.52 4.19 2.22 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 0.89 0.00 0.00 0.89 0.00 0.00 42 L 8.36 5.26 0.00 1.61 1.59 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.38 5.25 0.00 2.81 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 44 A 8.75 5.33 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 45 T 8.58 4.12 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 1.15 0.00 0.00 46 G 8.89 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 0.00 0.00 0.00 47 T 7.74 3.89 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 1.23 0.00 0.00 48 T 8.08 3.99 4.39 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 1.30 0.00 0.00 49 G 8.48 3.76 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 0.00 50 N 8.03 4.42 0.00 2.95 2.89 0.00 0.00 7.09 8.00 0.00 0.00 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 L 8.09 4.04 0.00 1.88 1.74 0.95 0.59 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 52 I 7.94 3.71 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 0.94 0.00 0.00 53 S 8.21 4.51 0.00 4.14 4.12 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 54 R 8.02 3.92 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 55 A 7.77 4.58 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 T 8.42 4.40 4.39 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 1.22 0.00 0.00 57 G 8.16 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 58 M 7.79 4.19 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 59 N 8.46 4.63 0.00 2.64 2.69 0.00 0.00 6.73 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 60 V 8.08 4.42 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 0.87 0.00 0.00 0.93 0.00 0.00 61 N 8.96 4.61 0.00 2.12 2.62 0.00 0.00 6.54 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 62 A 8.34 4.68 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 63 M 8.79 4.68 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00 64 L 8.94 4.26 0.00 1.71 1.58 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.66 4.39 0.00 3.91 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 66 G 9.07 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 0.00 0.00 0.00 67 P 0.00 4.19 0.00 1.96 2.00 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 68 M 7.94 4.41 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 69 G 8.12 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 0.00 0.00 0.00 70 G 8.70 3.69 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 0.00 0.00 0.00 71 D 8.03 4.30 0.00 2.74 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 72 Q 7.98 4.01 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 73 Q 7.87 3.92 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 74 V 7.84 3.57 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 0.95 0.00 0.00 0.92 0.00 0.00 75 G 8.26 3.58 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 0.00 0.00 0.00 76 A 8.24 3.92 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 77 L 7.77 3.76 0.00 1.70 1.46 0.70 0.63 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 78 I 7.73 3.50 1.96 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 1.50 0.58 0.92 0.00 0.00 79 S 7.60 2.79 0.00 3.85 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 80 E 7.24 4.06 0.00 1.90 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 2.11 2.17 0.00 81 G 7.11 3.64 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 0.00 0.00 0.00 82 K 7.85 4.16 0.00 1.59 1.60 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.21 7.81 83 I 7.20 4.40 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.86 0.00 0.00 84 D 9.03 4.88 0.00 2.50 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 85 V 7.62 4.72 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 1.24 0.00 0.00 1.02 0.00 0.00 86 L 8.96 5.05 0.00 1.80 1.52 0.83 0.71 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 87 I 8.83 4.56 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.03 0.00 0.00 88 F 9.38 5.36 0.00 3.00 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 89 F 9.43 5.48 0.00 2.95 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 90 W 7.90 4.50 0.00 2.99 1.74 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 91 D 9.09 4.39 0.00 2.80 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 92 P 0.00 4.53 0.00 1.88 1.09 0.00 3.48 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 93 L 8.35 4.80 0.00 1.62 1.60 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.92 4.89 0.00 2.86 2.70 0.00 0.00 7.06 7.35 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 95 A 8.57 4.36 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 96 V 8.06 4.52 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 0.73 0.00 0.00 0.87 0.00 0.00 97 P 0.00 4.30 0.00 2.22 2.22 0.00 3.83 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 2.08 2.00 0.00 98 H 8.12 4.88 0.00 3.55 3.54 0.00 5.47 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.78 4.29 0.00 2.86 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 0.00 100 P 0.00 4.23 0.00 2.30 2.29 0.00 3.63 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 2.09 2.06 0.00 101 D 8.07 4.34 0.00 3.03 2.81 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 0.00 102 V 7.69 3.77 2.15 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 0.64 0.00 0.00 1.12 0.00 0.00 103 K 8.12 3.85 0.00 1.91 1.77 0.00 1.28 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.34 1.33 7.81 104 A 8.35 4.00 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 0.00 105 L 8.17 3.90 0.00 1.84 1.93 0.85 0.22 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 0.00 106 L 7.93 4.11 0.00 1.70 1.68 0.38 0.94 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 0.00 107 R 8.00 3.90 0.00 2.02 2.08 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 L 8.11 4.05 0.00 1.95 1.84 1.01 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 0.00 109 A 8.24 4.09 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 0.00 110 T 7.76 3.90 4.39 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 1.19 0.00 0.00 111 V 7.64 3.35 1.99 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 -0.02 0.00 0.00 0.82 0.00 0.00 112 W 8.32 4.42 0.00 3.43 3.19 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 0.00 0.00 0.00 0.00 113 N 7.65 4.17 0.00 2.76 2.95 0.00 0.00 6.95 9.28 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 0.00 114 I 7.19 4.68 2.14 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 1.31 0.88 0.97 0.00 0.00 115 P 0.00 4.46 0.00 2.22 2.14 0.00 3.90 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 2.22 2.18 0.00 116 V 8.50 5.12 2.16 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 0.97 0.00 0.00 1.04 0.00 0.00 117 A 9.26 4.95 1.23 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 0.00 0.00 0.00 118 T 9.08 5.36 4.38 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 0.00 0.00 0.00 1.45 0.00 0.00 119 N 7.46 4.23 0.00 2.62 2.58 0.00 0.00 5.84 7.68 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 0.00 120 V 7.58 3.38 1.96 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 1.22 0.00 0.00 0.69 0.00 0.00 121 A 7.87 4.11 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 0.00 122 T 8.58 3.88 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 0.00 123 A 8.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.81 4.56 0.00 3.11 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 0.00 125 F 8.33 3.92 0.00 3.22 3.19 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 0.00 0.00 0.00 0.00 126 I 7.97 3.98 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 1.05 0.00 0.00 127 I 7.70 2.62 1.85 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.74 0.00 0.00 128 Q 7.40 4.30 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 129 S 7.44 4.32 0.00 4.19 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 0.00 130 P 0.00 4.13 0.00 2.13 2.26 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 131 H 8.07 4.52 0.00 3.28 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.34 4.30 0.00 3.23 3.23 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 0.00 133 N 8.15 4.78 0.00 2.88 2.88 0.00 0.00 6.85 7.36 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 0.00 134 D 7.49 5.12 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.88 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.42 4.43 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 0.73 0.00 0.00 0.83 0.00 0.00 137 D 8.62 5.38 0.00 2.56 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 0.00 138 I 8.75 4.69 1.91 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 1.43 0.77 0.94 0.00 0.00 139 L 8.45 5.07 0.00 1.57 1.64 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.85 4.92 2.20 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 1.13 0.00 0.00 141 P 0.00 4.44 0.00 1.77 1.79 0.00 3.48 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.07 0.00 142 D 9.03 4.68 0.00 2.78 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 0.00 143 Y 8.72 4.21 0.00 3.39 3.16 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 0.00 0.00 0.00 0.00 144 Q 8.51 4.06 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 8.15 4.14 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 146 Y 7.75 4.15 0.00 2.92 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 0.00 147 L 8.26 3.67 0.00 1.05 1.33 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.96 3.95 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 0.00 149 D 7.77 4.02 0.00 2.78 2.57 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 0.00 150 R 7.53 3.98 0.00 1.67 1.81 0.00 3.04 0.00 0.00 2.59 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.00 151 L 7.06 4.52 0.00 1.41 1.65 0.89 0.80 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 0.00 152 K 7.44 4.16 0.00 1.82 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.25 7.81