NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4307 8.3349 115.4132 57.8709 64.3537 172.9204 2 L 4.2836 8.2596 122.4363 52.5300 42.4263 176.3517 3 S 4.5680 9.8632 120.6710 57.3559 66.6039 174.7088 4 D 4.3304 8.5559 121.2582 57.3859 40.4346 178.8900 5 K 3.8450 8.0854 119.4808 59.8211 32.0972 178.3289 6 D 4.7073 8.0086 120.1617 56.8988 40.7648 178.9678 7 K 3.9248 8.4076 119.0628 59.2562 31.9716 179.3263 8 A 3.9499 8.4180 121.2612 55.1119 18.2673 179.5877 9 A 3.9253 8.0521 119.3287 55.2146 18.4400 180.0862 10 V 3.4157 7.9140 116.8631 66.0632 31.5447 178.4496 11 R 3.8607 8.0002 117.5453 59.1541 29.5628 178.7081 12 A 3.9688 8.2975 120.8916 55.2403 18.3141 179.4576 13 L 3.8794 8.1215 118.8481 58.1297 42.1351 179.0239 14 W 4.0491 8.7100 128.6726 60.2640 30.3163 177.8056 15 S 4.0096 8.0554 112.7992 61.1837 61.8282 176.0660 16 K 4.0235 7.3990 120.0657 58.5027 32.2126 178.4814 17 I 3.6072 7.3378 111.0586 60.3900 38.2197 177.5533 18 G 2.0124 7.2906 108.7961 47.3663 0.0000 175.5904 19 K 4.0567 7.6056 118.5835 58.1889 32.1532 178.1476 20 S 4.7006 7.6567 115.0479 58.1886 63.1000 175.4245 21 A 4.0946 7.7745 127.1619 55.6107 18.0222 180.3312 22 D 4.3113 8.0974 116.3328 57.6126 41.0458 178.8069 23 A 4.0267 7.9601 120.6952 55.1313 18.4292 179.5283 24 I 3.8142 8.2507 118.8467 64.4525 37.2155 178.8088 25 G 3.6949 8.5088 106.9368 47.7903 0.0000 175.1823 26 N 4.3133 8.1679 119.6209 56.4277 39.0368 176.4219 27 D 4.2884 8.2166 119.1333 57.2659 41.3498 178.0925 28 A 4.0103 8.4615 121.6144 55.3117 18.4514 179.6833 29 L 4.0307 8.0732 117.5292 57.9378 41.6588 179.9078 30 S 4.1539 8.3035 115.2742 61.7101 62.6872 177.0399 31 R 3.9786 8.1365 120.7308 59.2506 29.7410 178.5013 32 M 4.3904 8.1812 118.3694 59.0264 32.0464 178.4199 33 I 3.8735 7.8924 112.9062 63.6132 37.6419 178.4058 34 V 3.6089 7.7179 119.4975 65.9190 31.5663 177.8489 35 V 3.7832 8.5571 117.3960 64.0687 32.9335 175.5562 36 Y 4.8482 8.1532 116.1356 54.6668 38.0837 174.1936 37 P 4.6367 0.0000 0.0000 64.9830 31.6671 178.5155 38 Q 4.0959 8.2529 117.4386 59.2017 28.5222 178.0670 39 T 4.3115 8.5071 111.5133 63.7090 68.7853 176.2070 40 K 4.4733 8.2980 122.0161 58.8857 31.8046 178.7856 41 T 3.7246 7.6774 109.9487 64.5317 68.4937 174.9983 42 Y 4.2304 7.4001 116.4885 58.1432 38.2478 175.7000 43 F 4.1660 7.8995 119.1363 56.7219 39.8123 177.1363 44 S 4.0755 8.1453 117.7570 61.1951 62.4109 174.7509 45 H 4.6002 7.8097 114.2302 55.6340 29.0402 174.8465 46 W 5.0228 7.6936 121.1831 54.8531 30.4176 174.6277 47 P 4.5770 0.0000 0.0000 63.9815 32.0663 175.7853 48 D 5.0250 7.8805 117.4789 52.2878 39.2042 178.2132 49 V 4.1977 7.4767 121.2140 62.2627 30.9057 174.3860 50 T 4.7657 7.3924 112.6024 58.1209 72.3115 172.5450 51 P 4.4063 0.0000 0.0000 64.2070 31.5795 176.7417 52 G 3.8802 8.8662 110.6581 45.9128 0.0000 174.2818 53 S 4.2603 7.6270 115.2406 57.5838 64.7642 173.3920 54 P 4.1263 0.0000 0.0000 66.2625 31.0747 178.7175 55 H 3.6434 7.8283 114.5545 58.7248 28.3680 178.0590 56 I 3.7562 7.7000 121.6554 63.9147 36.7770 178.2537 57 K 3.8255 8.4979 120.7113 59.6817 31.5362 178.7507 58 A 3.9836 7.9770 120.8765 55.3536 18.2205 179.1026 59 H 4.4466 8.4255 117.0277 59.3124 29.9502 177.7648 60 G 3.6684 8.3833 107.9588 47.5107 0.0000 175.7456 61 K 4.1126 7.8392 120.8810 59.4409 32.0726 179.5809 62 K 4.0309 7.6699 117.5221 59.3264 32.0186 179.4997 63 V 3.5850 8.0585 118.9519 66.5514 31.4667 178.0504 64 M 4.3203 8.3250 118.0406 57.8835 31.7422 178.9410 65 G 3.9179 8.3321 106.5424 47.5039 0.0000 176.0648 66 G 3.5716 8.2050 108.0650 47.9099 0.0000 176.0054 67 I 3.6597 7.8279 122.3222 63.5507 37.0471 178.4462 68 A 3.4337 8.2355 122.1985 54.8030 18.2765 179.1946 69 L 3.8238 8.0276 118.7316 58.4420 41.9040 179.1035 70 A 3.9845 7.7140 119.1110 55.1870 18.2891 179.4086 71 V 3.5142 7.8050 117.0072 66.0467 31.2982 178.4081 72 S 4.2384 7.8088 112.7173 60.1764 63.1107 175.5649 73 K 4.5274 7.7126 121.3145 56.0529 32.2986 177.7356 74 I 3.9786 7.3469 122.4454 64.2573 37.9058 176.8916 75 D 4.5641 8.0072 118.1034 56.3224 41.2462 176.5357 76 D 4.7177 8.2007 118.5644 52.3718 42.9456 175.2235 77 L 3.9936 8.1086 124.4545 56.7426 41.8081 178.0557 78 K 3.7717 8.0188 118.4967 60.0761 32.1910 178.4437 79 T 4.1440 8.0324 115.2797 66.4556 68.2278 177.0694 80 G 3.7240 7.9314 106.4468 47.3355 0.0000 174.8667 81 L 4.5897 8.0465 120.0020 54.4454 42.1286 178.2206 82 M 3.9480 7.6956 121.6351 58.9717 32.0299 178.0860 83 E 4.0577 8.0654 118.0829 59.4772 29.6315 179.2271 84 L 3.9853 7.7910 118.5442 57.5837 41.6243 179.3717 85 S 4.1083 8.0549 113.3683 61.2921 62.3580 176.0009 86 E 3.0197 8.1596 121.5730 59.1529 29.1697 179.2038 87 Q 3.8783 8.1005 119.6736 59.5379 29.2674 177.9563 88 H 4.2018 8.4336 117.0879 58.2087 27.1536 177.7785 89 A 2.8489 7.7534 123.1107 54.7864 18.0961 178.9228 90 Y 4.6865 7.7530 113.3726 59.2906 38.5155 177.0049 91 K 4.2448 7.8174 119.2629 58.2063 33.0392 177.1942 92 L 4.2334 7.7594 116.4160 54.5664 42.3034 176.8010 93 R 3.8341 7.1781 114.6862 56.9115 28.1002 176.8403 94 V 3.0751 7.6070 117.1393 61.8076 31.9301 174.9507 95 D 4.1758 8.9031 127.9244 53.9966 41.4713 175.4917 96 P 2.9700 0.0000 0.0000 64.4686 31.5779 178.1778 97 A 3.9227 8.2825 120.8220 55.2136 18.0512 179.2832 98 N 4.2347 7.9573 114.6453 55.9775 38.4053 177.4993 99 F 4.4558 7.3901 119.7767 60.5662 38.9904 177.6468 100 K 4.0184 7.8599 118.0143 59.3631 31.7568 179.5694 101 I 3.4056 7.3812 119.6927 64.1579 37.0569 178.0447 102 L 3.9607 7.8716 121.2155 58.0498 42.0243 178.5204 103 N 4.2967 8.5317 116.9612 56.7977 38.4599 176.7785 104 H 4.2514 8.1844 119.2150 59.5233 29.8547 177.1096 105 C 4.1508 8.1011 118.6089 62.8225 27.8599 176.1346 106 I 3.7225 8.0699 121.6789 64.3248 36.6280 178.5120 107 L 3.7785 7.8368 119.5004 57.5403 41.4394 179.7165 108 V 3.5050 7.8403 118.4497 65.8072 31.4985 178.1765 109 V 3.5382 7.8960 118.0998 66.2899 31.3413 178.1173 110 I 3.7979 7.9328 119.7948 64.3276 36.5811 178.4218 111 S 4.1236 7.6605 113.6896 61.4912 62.2825 176.0386 112 T 3.9935 7.8576 111.7713 64.6294 68.6111 175.8800 113 M 3.9961 7.7656 119.9907 55.7270 33.7769 176.4678 114 F 5.0637 8.3026 117.2913 55.5184 39.8388 173.9128 115 P 4.3901 0.0000 0.0000 65.8367 31.9213 178.7893 116 K 4.2087 8.1062 117.3345 59.0221 32.3054 178.0830 117 E 4.1690 8.2842 117.4207 58.9756 30.1331 177.4485 118 F 4.5893 8.3585 122.8013 57.1897 37.8291 175.0915 119 T 4.1711 7.3185 115.5725 60.4895 71.4014 173.6421 120 P 4.1376 0.0000 0.0000 65.7012 31.3991 178.9185 121 E 3.9038 8.0487 116.8122 59.2434 29.4606 178.9349 122 A 3.9608 7.9284 120.8543 55.2246 18.3000 179.0749 123 H 3.6840 8.0352 117.2616 59.3517 29.8823 177.8997 124 V 3.6421 7.8033 120.8951 65.0313 31.2732 178.4936 125 S 4.2508 8.0117 115.4535 61.1795 62.6719 176.3987 126 L 4.1798 8.5569 123.5882 58.0556 41.8151 178.5744 127 D 4.4556 8.7210 118.7346 57.1238 41.2061 178.2307 128 K 3.9738 8.3554 119.2409 59.4004 32.0141 179.0744 129 F 4.1491 8.4514 120.9021 61.4600 39.3658 177.3087 130 L 3.6452 8.5904 118.8052 57.6863 41.3181 179.7576 131 S 4.1906 8.3214 115.5621 61.3338 62.6406 176.8452 132 G 3.4943 7.9672 108.6240 47.4939 0.0000 175.9650 133 V 3.2214 7.4097 120.3344 65.6486 31.4815 178.0026 134 A 3.5770 7.8575 120.5531 55.0077 18.0011 179.4051 135 L 3.8964 7.7700 117.5759 58.1319 42.3053 178.7515 136 A 4.0755 8.1348 121.1115 55.0507 18.0789 179.6431 137 L 3.8793 7.9419 116.7855 57.4397 41.8762 179.0090 138 A 4.3956 7.9979 120.0607 53.6142 18.0921 178.7868 139 E 3.8590 7.5948 118.3283 59.4989 29.6044 178.0800 140 R 4.4141 8.0923 114.2633 56.6329 30.2544 177.1060 141 Y 4.2249 8.2311 118.1678 60.5010 38.2361 175.8857 142 R 4.2715 7.8368 119.3177 56.5656 29.2935 174.4869 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 S 8.33 4.43 0.00 4.00 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 2 L 8.26 4.28 0.00 1.78 1.69 1.08 0.71 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 3 S 9.86 4.57 0.00 4.04 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 4 D 8.56 4.33 0.00 2.71 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 5 K 8.09 3.85 0.00 1.81 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 6 D 8.01 4.71 0.00 2.98 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 7 K 8.41 3.92 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.67 7.81 8 A 8.42 3.95 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 9 A 8.05 3.93 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 10 V 7.91 3.42 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 0.14 0.00 0.00 0.81 0.00 0.00 11 R 8.00 3.86 0.00 2.07 1.96 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 12 A 8.30 3.97 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 13 L 8.12 3.88 0.00 1.80 1.93 0.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.71 4.05 0.00 3.32 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 15 S 8.06 4.01 0.00 3.90 4.05 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 16 K 7.40 4.02 0.00 1.76 1.68 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.50 7.81 17 I 7.34 3.61 0.64 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 1.32 0.09 -0.23 0.00 0.00 18 G 7.29 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 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.61 4.06 0.00 1.64 1.82 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 20 S 7.66 4.70 0.00 4.18 3.98 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 21 A 7.77 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.10 4.31 0.00 2.71 2.74 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 23 A 7.96 4.03 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 24 I 8.25 3.81 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.01 0.00 0.00 25 G 8.51 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 26 N 8.17 4.31 0.00 2.83 3.00 0.00 0.00 6.88 8.64 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 27 D 8.22 4.29 0.00 2.95 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 28 A 8.46 4.01 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 29 L 8.07 4.03 0.00 1.83 1.74 1.05 0.80 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 30 S 8.30 4.15 0.00 4.07 3.93 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 0.00 0.00 0.00 31 R 8.14 3.98 0.00 2.08 2.07 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 32 M 8.18 4.39 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 33 I 7.89 3.87 1.90 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 1.74 0.72 0.88 0.00 0.00 34 V 7.72 3.61 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 0.81 0.00 0.00 0.98 0.00 0.00 35 V 8.56 3.78 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 0.33 0.00 0.00 0.94 0.00 0.00 36 Y 8.15 4.85 0.00 3.14 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 37 P 0.00 4.64 0.00 2.29 2.35 0.00 3.92 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 38 Q 8.25 4.10 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 39 T 8.51 4.31 4.51 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 1.45 0.00 0.00 40 K 8.30 4.47 0.00 2.03 1.99 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.63 7.81 41 T 7.68 3.72 3.85 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 1.12 0.00 0.00 42 Y 7.40 4.23 0.00 2.41 2.37 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 43 F 7.90 4.17 0.00 2.85 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 0.00 0.00 0.00 0.00 44 S 8.15 4.08 0.00 3.94 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 45 H 7.81 4.60 0.00 3.32 3.40 0.00 5.51 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 46 W 7.69 5.02 0.00 3.35 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 47 P 0.00 4.58 0.00 2.24 2.24 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 48 D 7.88 5.03 0.00 2.78 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 49 V 7.48 4.20 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 0.92 0.00 0.00 1.21 0.00 0.00 50 T 7.39 4.77 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 1.24 0.00 0.00 51 P 0.00 4.41 0.00 2.20 2.12 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 52 G 8.87 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 0.00 0.00 0.00 53 S 7.63 4.26 0.00 4.18 4.14 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 0.00 0.00 0.00 0.00 54 P 0.00 4.13 0.00 1.99 2.03 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 55 H 7.83 3.64 0.00 2.86 1.55 0.00 5.63 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 56 I 7.70 3.76 1.85 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 1.47 1.14 0.92 0.00 0.00 57 K 8.50 3.83 0.00 1.97 1.76 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 58 A 7.98 3.98 1.33 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 0.00 0.00 0.00 59 H 8.43 4.45 0.00 3.55 3.66 0.00 5.79 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 60 G 8.38 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 61 K 7.84 4.11 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 1.69 7.81 62 K 7.67 4.03 0.00 2.03 1.91 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 63 V 8.06 3.59 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 1.06 0.00 0.00 0.89 0.00 0.00 64 M 8.32 4.32 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.88 0.00 65 G 8.33 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 66 G 8.21 3.57 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 0.00 0.00 0.00 67 I 7.83 3.66 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.55 0.00 0.00 68 A 8.24 3.43 1.55 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 0.00 0.00 0.00 69 L 8.03 3.82 0.00 1.75 1.85 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.71 3.98 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 71 V 7.81 3.51 1.78 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 0.84 0.00 0.00 0.12 0.00 0.00 72 S 7.81 4.24 0.00 4.10 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 73 K 7.71 4.53 0.00 1.76 1.80 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.53 7.81 74 I 7.35 3.98 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.95 0.00 0.00 75 D 8.01 4.56 0.00 2.71 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 76 D 8.20 4.72 0.00 2.58 2.48 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 77 L 8.11 3.99 0.00 1.66 1.58 0.78 0.82 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 78 K 8.02 3.77 0.00 1.71 1.98 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.54 7.81 79 T 8.03 4.14 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 1.20 0.00 0.00 80 G 7.93 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 81 L 8.05 4.59 0.00 1.53 1.54 0.73 0.74 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 82 M 7.70 3.95 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 83 E 8.07 4.06 0.00 2.07 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 2.39 2.44 0.00 84 L 7.79 3.99 0.00 1.76 1.67 0.88 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 85 S 8.05 4.11 0.00 3.95 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 86 E 8.16 3.02 0.00 2.02 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 2.25 1.93 0.00 87 Q 8.10 3.88 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 88 H 8.43 4.20 0.00 3.36 3.60 0.00 5.86 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 89 A 7.75 2.85 0.31 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 90 Y 7.75 4.69 0.00 2.86 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 91 K 7.82 4.24 0.00 1.69 2.02 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.46 7.81 92 L 7.76 4.23 0.00 1.74 1.57 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.18 3.83 0.00 2.02 2.08 0.00 3.38 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 94 V 7.61 3.08 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 0.04 0.00 0.00 0.47 0.00 0.00 95 D 8.90 4.18 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 2.97 0.00 1.92 1.86 0.00 3.30 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.00 97 A 8.28 3.92 1.28 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 98 N 7.96 4.23 0.00 2.52 2.80 0.00 0.00 6.91 7.75 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 99 F 7.39 4.46 0.00 3.05 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 0.00 100 K 7.86 4.02 0.00 1.74 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.62 7.81 101 I 7.38 3.41 1.80 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 1.09 0.39 -0.16 0.00 0.00 102 L 7.87 3.96 0.00 1.82 1.72 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.53 4.30 0.00 3.00 2.90 0.00 0.00 6.65 7.75 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 0.00 104 H 8.18 4.25 0.00 3.31 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.10 4.15 0.00 3.23 3.11 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 0.00 0.00 0.00 0.00 106 I 8.07 3.72 2.04 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 1.57 0.85 0.96 0.00 0.00 107 L 7.84 3.78 0.00 1.86 1.73 1.14 0.79 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 0.00 108 V 7.84 3.51 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 0.98 0.00 0.00 0.85 0.00 0.00 109 V 7.90 3.54 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 1.08 0.00 0.00 0.98 0.00 0.00 110 I 7.93 3.80 1.38 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 1.47 0.66 0.59 0.00 0.00 111 S 7.66 4.12 0.00 3.94 4.03 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 0.00 112 T 7.86 3.99 4.19 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 1.22 0.00 0.00 113 M 7.77 4.00 0.00 1.06 1.91 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 114 F 8.30 5.06 0.00 3.21 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 0.00 115 P 0.00 4.39 0.00 2.22 2.22 0.00 3.84 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 2.02 1.99 0.00 116 K 8.11 4.21 0.00 1.84 1.96 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.50 7.81 117 E 8.28 4.17 0.00 2.07 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 0.00 2.31 2.39 0.00 118 F 8.36 4.59 0.00 3.07 3.11 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 0.00 0.00 0.00 0.00 119 T 7.32 4.17 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 1.25 0.00 0.00 120 P 0.00 4.14 0.00 2.13 2.08 0.00 3.55 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 2.08 2.15 0.00 121 E 8.05 3.90 0.00 2.01 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 2.37 2.40 0.00 122 A 7.93 3.96 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 0.00 123 H 8.04 3.68 0.00 2.50 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.80 3.64 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 0.79 0.00 0.00 0.93 0.00 0.00 125 S 8.01 4.25 0.00 3.93 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 0.00 126 L 8.56 4.18 0.00 2.01 1.94 1.02 1.37 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 0.00 127 D 8.72 4.46 0.00 3.06 2.74 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 0.00 128 K 8.36 3.97 0.00 2.06 1.89 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.65 7.81 129 F 8.45 4.15 0.00 3.12 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 0.00 130 L 8.59 3.65 0.00 1.71 1.83 1.01 0.93 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 0.00 131 S 8.32 4.19 0.00 3.98 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 0.00 132 G 7.97 3.49 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 0.00 0.00 0.00 133 V 7.41 3.22 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 0.70 0.00 0.00 -0.03 0.00 0.00 134 A 7.86 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.77 3.90 0.00 1.60 1.79 0.91 0.96 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 0.00 136 A 8.13 4.08 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 0.00 137 L 7.94 3.88 0.00 0.99 1.35 -0.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.00 4.40 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 0.00 139 E 7.59 3.86 0.00 1.90 2.07 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 2.32 2.36 0.00 140 R 8.09 4.41 0.00 1.48 1.59 0.00 3.47 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 141 Y 8.23 4.22 0.00 3.13 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 0.00 142 R 7.84 4.27 0.00 1.92 1.93 0.00 3.09 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00