NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0508 8.0244 120.7826 60.8950 39.9464 175.7461 3 Q 3.9349 7.7370 121.8047 54.5766 29.8242 173.2796 4 S 5.0785 8.8893 120.5768 56.8485 66.9452 172.1908 5 Y 5.0033 8.7025 118.0151 55.4050 42.2348 173.6348 6 P 4.8000 0.0000 0.0000 62.7071 32.4444 177.6032 7 V 3.6836 8.2128 120.5180 66.4502 31.0805 178.2319 8 E 3.9545 8.2238 118.2721 59.0751 29.1324 178.5647 9 R 3.8923 8.0124 118.5672 59.0466 30.0784 177.9197 10 S 4.4871 8.2611 113.1692 58.8084 63.5945 174.0316 11 R 4.5754 7.0912 123.8124 56.9150 30.5447 176.0379 12 T 4.8298 9.1653 121.8718 61.9407 73.0547 172.7798 13 I 5.0644 8.4707 125.2831 59.6125 40.1501 174.6803 14 Q 4.6661 9.1321 126.3680 54.6419 32.8226 173.8804 15 T 5.1619 8.3637 119.6754 61.9130 72.3744 173.5364 16 R 4.5753 8.8815 123.7090 54.1886 34.5890 174.2118 17 L 4.4713 8.4846 124.9948 54.7167 43.2276 175.9990 18 V 4.1416 8.1737 126.2877 62.2391 32.1554 175.0311 19 L 4.8382 9.0839 127.2634 52.0080 45.3190 175.8003 20 P 4.1675 0.0000 0.0000 65.5471 31.3283 177.2984 21 P 4.4135 0.0000 0.0000 64.9562 31.4868 176.6890 22 D 4.7832 8.4134 117.5360 54.7055 41.1136 175.9018 23 T 4.2799 7.1827 109.4549 58.7248 71.5802 173.3803 24 N 4.4134 7.7359 121.0723 52.4720 38.0402 175.4667 25 H 4.3370 8.4605 112.7358 57.4026 28.8038 176.0455 26 L 4.0967 7.6797 118.8782 55.2861 42.0819 177.3907 27 G 3.8445 8.5318 108.3345 45.0277 0.0000 172.5504 28 T 4.6839 7.8837 117.1445 61.7812 69.9173 174.3694 29 I 3.9290 8.3491 127.7640 60.9752 38.8014 175.6661 30 F 4.2602 8.7893 128.5071 57.5643 39.4955 176.4495 31 G 3.4932 9.1228 110.1421 48.1804 0.0000 176.0681 32 G 3.5955 8.0494 107.2272 47.3659 0.0000 175.8331 33 K 3.6909 7.8910 120.4891 59.1336 31.9415 179.5956 34 V 3.6508 7.5929 118.0247 65.9910 31.5767 177.8268 35 L 4.0034 8.2792 118.6718 57.7075 41.4759 179.3152 36 A 3.9846 8.0748 120.7283 55.5795 18.3602 179.3950 37 Y 4.4198 7.9510 115.2160 61.1664 37.8935 178.7438 38 I 3.7154 8.2030 121.2122 64.5254 37.1701 178.0145 39 D 4.3376 8.2501 118.8485 57.0503 41.0027 177.7644 40 E 3.9323 8.3379 119.9936 59.4741 29.6408 178.7856 41 I 3.7658 7.9664 118.3329 63.7946 37.9798 177.6858 42 A 3.9591 8.2318 121.7158 54.8805 17.9637 179.4150 43 A 3.9465 8.1030 118.6535 55.3099 18.5777 179.4661 44 L 4.1000 7.6650 116.0729 58.2849 42.0150 179.4978 45 T 4.3874 8.3674 116.7449 65.8936 68.4981 177.4580 46 A 4.0849 8.0656 121.8078 52.3980 18.3965 179.5193 *48 K 4.1856 8.0344 122.3528 58.3846 34.2628 177.3249 49 H 4.2485 8.4516 117.4183 58.5827 29.8121 175.7452 50 A 4.4041 8.1116 119.3939 51.4151 20.0706 176.0484 51 N 4.1883 8.1588 112.3865 53.5153 36.1273 173.5639 52 S 4.6027 7.4327 110.0739 56.7417 67.6811 174.6677 53 A 4.2926 8.4556 123.8633 52.7994 19.2992 176.8835 54 V 5.0318 8.1715 111.4107 59.9045 36.0380 175.2107 55 V 4.5762 8.5356 114.5851 59.9040 35.6477 175.9211 56 T 4.2068 8.4875 119.7953 62.7556 68.6304 174.9503 57 A 4.1768 8.9789 131.7184 54.9285 18.9125 177.0860 58 S 4.6792 7.3506 107.3689 57.7014 66.1189 174.0312 59 I 4.9501 8.1444 120.3224 59.3087 40.6282 174.8451 60 D 4.8967 8.9797 129.5838 53.2008 42.1468 176.1734 61 S 4.1590 8.6097 113.9050 58.7763 63.2664 174.0461 62 V 4.0396 8.0202 120.8471 61.1896 33.2064 174.3328 63 D 4.6312 8.3105 127.3301 52.3935 42.2094 176.1058 64 F 4.5775 8.5001 123.7878 56.5627 38.8566 175.8751 65 K 4.2024 8.9577 127.3389 58.6147 32.3122 177.0624 66 S 4.5372 7.7330 111.7892 57.6010 65.4232 173.0631 67 S 4.8227 8.3340 115.2950 56.5650 65.2209 172.5684 68 A 5.1232 7.9949 120.4281 50.6245 22.8431 174.8185 69 T 5.5902 8.8626 108.6707 58.0869 73.1628 173.1944 70 V 3.8008 8.4888 121.0873 63.2692 31.6291 176.7457 71 G 4.0880 8.1935 116.9384 45.9028 0.0000 172.7411 72 D 5.4444 8.7784 119.4459 52.5229 44.4300 177.2734 73 A 4.9973 8.5300 123.0169 50.7048 21.4981 175.9335 74 L 5.0502 8.9233 121.3857 53.2079 44.2194 175.3873 75 E 5.0879 9.3525 123.3506 54.5440 32.2491 175.0512 76 L 5.3170 9.0262 124.2854 52.9468 45.7845 175.2397 77 E 5.1026 9.1748 122.4720 54.6744 33.3777 174.2888 78 G 4.5463 9.1886 113.2563 44.6655 0.0000 171.2875 79 F 5.4248 8.3488 115.6943 55.1954 41.7670 173.5086 80 V 4.4361 8.7623 121.8488 63.5393 31.2417 175.7680 81 T 4.7792 8.6255 117.5932 62.6769 70.5689 173.8954 82 H 4.5974 7.7950 118.4079 55.9068 32.5032 172.5349 83 T 4.9424 7.4732 112.5833 59.9434 72.6129 173.2609 84 G 4.3440 8.4391 112.1702 45.7509 0.0000 175.0977 85 R 4.0317 8.7947 120.2164 59.1380 30.5375 178.1525 86 T 4.8640 8.1326 104.0522 60.1234 70.3040 173.0795 87 S 5.0270 7.5278 117.8770 56.4792 65.8523 171.3805 *89 E 4.5771 8.3884 119.3245 56.6293 31.0393 175.4762 90 V 4.7892 8.8894 126.8561 61.3127 34.3615 173.4122 91 Y 4.6962 8.6652 129.6395 56.4235 40.4477 174.1945 92 V 4.5965 7.6941 125.9699 60.6883 35.0682 174.1358 93 R 4.7484 8.4161 123.6759 54.2002 32.6245 174.6470 94 V 4.9060 8.7049 121.4249 61.5419 34.7187 173.9180 95 H 5.4896 9.3741 124.4385 53.9997 32.9160 172.6364 96 S 5.1318 9.0305 116.1128 57.0297 65.7008 172.5913 97 N 5.2435 9.3952 122.2774 51.6478 40.9063 173.1135 98 N 5.5051 8.9501 126.9734 53.3128 39.3748 175.7702 99 L 4.1599 8.6080 126.5989 56.6781 42.3520 178.3336 100 L 4.2361 8.1276 118.9587 56.7307 41.8649 177.8156 101 T 4.2626 8.1625 106.1311 60.8514 70.1212 175.5952 102 G 3.8903 8.3554 109.6176 45.0704 0.0000 173.0220 103 E 4.0875 8.1565 122.3443 56.2782 30.6558 175.5907 104 R 5.1392 8.5827 125.8061 55.0745 32.1017 175.7730 105 T 4.7014 8.6459 119.7431 61.2480 72.5216 173.0737 106 L 4.0549 8.6766 128.4073 56.0472 42.2687 176.3181 107 T 4.3728 9.1139 123.8463 64.9621 69.7888 174.6112 108 T 4.5426 7.2134 112.8713 61.6126 70.8546 170.9745 109 E 5.0823 8.3845 122.3733 54.7724 33.5406 175.2932 110 S 4.5040 8.3255 115.4097 57.3436 67.0208 172.8182 111 F 5.4368 8.7100 119.1885 55.8819 41.7387 174.6026 112 L 5.2853 9.2314 122.3772 53.3734 45.6649 175.4479 113 T 4.7721 8.6644 117.0340 61.7108 72.5725 173.4971 *115 V 4.3019 8.0635 121.0518 62.7649 33.0349 174.2817 116 A 4.6735 8.6490 130.1258 52.0565 19.5094 176.5490 117 V 4.9997 8.4977 114.8832 59.4771 35.5574 175.9729 118 D 4.7161 8.8666 124.0180 52.4280 40.8499 176.8317 119 E 4.2268 8.6416 117.7464 58.7302 29.4060 178.0101 120 S 4.4159 8.2657 111.8489 57.8640 63.5593 174.8909 121 G 3.9067 8.5757 109.6145 45.7955 0.0000 173.6512 122 K 4.3347 8.1602 119.7575 54.2452 33.0715 174.7837 123 P 4.7238 0.0000 0.0000 63.3179 31.9111 175.4626 124 K 4.7082 8.7343 122.3957 53.6707 35.6512 173.6424 125 P 4.7085 0.0000 0.0000 63.2466 31.8772 175.9504 126 V 4.7114 8.4267 116.8038 58.6356 34.4456 174.0365 127 P 4.6120 0.0000 0.0000 62.7945 32.4013 175.8784 128 Q 4.6707 9.2556 120.3644 55.3475 30.2006 175.3172 129 V 4.9393 8.3905 119.8192 60.1810 34.0802 175.1214 130 E 4.4805 8.9816 125.1113 53.6954 30.8049 173.1755 131 P 4.4951 0.0000 0.0000 63.1790 31.8059 175.6862 132 Q 4.3278 9.4818 120.3465 57.3904 31.3202 177.2070 133 T 4.1328 7.7581 107.3818 61.3375 70.8771 174.9976 134 E 3.9650 8.5979 121.2387 59.3245 29.3782 179.2186 135 E 3.9107 8.1207 118.9878 59.3947 29.7219 178.5000 136 E 4.0762 8.2654 118.5417 59.5012 29.4400 179.6154 137 K 3.9993 8.2198 118.4536 59.3770 32.1527 179.4147 138 R 3.9086 8.2585 119.1292 59.4651 29.8074 178.6037 139 L 4.1340 8.0157 119.2518 57.3319 41.7781 178.4972 140 Y 4.2897 8.4913 119.8518 60.9353 38.5558 178.0882 141 E 4.0817 8.5223 118.6600 59.0063 29.9320 178.4895 142 T 4.2744 7.6862 106.9705 61.8926 69.3239 176.6424 143 A 3.7852 7.4459 125.0341 54.8072 18.3559 177.6750 144 P 4.0088 0.0000 0.0000 65.7594 31.3534 178.5327 145 A 3.9294 7.8198 118.8391 55.2917 18.3567 179.7746 146 R 3.7819 7.4829 115.1615 59.0633 30.0560 179.2226 147 K 3.8719 8.1246 119.7069 59.3477 32.1905 178.4633 148 E 3.9095 8.2841 119.7086 59.4160 29.5241 178.5550 149 N 4.3321 8.1475 116.4976 56.3881 38.3051 177.6513 150 R 3.9452 7.9685 119.4480 58.9491 29.8942 179.1750 151 K 3.9726 7.8398 117.4804 59.4568 32.4222 179.1423 152 K 4.1116 8.1353 118.9068 59.4980 31.7822 179.6150 153 R 4.0166 7.9172 114.7822 58.4842 29.6122 177.7626 154 A 4.3190 7.4897 118.9113 51.6511 19.3521 177.2466 155 A 4.2280 6.9673 120.2852 51.3695 19.3968 177.7713 156 L 4.1936 8.2849 118.4974 55.1159 41.7912 177.3533 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 I 8.02 4.05 1.85 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 1.26 1.32 0.89 0.00 0.00 3 Q 7.74 3.93 0.00 2.21 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.32 1.79 0.00 4 S 8.89 5.08 0.00 3.79 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 5 Y 8.70 5.00 0.00 2.93 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 6 P 0.00 4.80 0.00 2.21 2.00 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 7 V 8.21 3.68 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 1.03 0.00 0.00 1.07 0.00 0.00 8 E 8.22 3.95 0.00 2.08 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 2.36 2.42 0.00 9 R 8.01 3.89 0.00 1.86 2.17 0.00 2.74 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 10 S 8.26 4.49 0.00 4.39 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 0.00 11 R 7.09 4.58 0.00 1.86 1.90 0.00 3.53 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 12 T 9.17 4.83 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 1.23 0.00 0.00 13 I 8.47 5.06 1.88 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 1.26 0.65 0.96 0.00 0.00 14 Q 9.13 4.67 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 15 T 8.36 5.16 4.20 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 1.18 0.00 0.00 16 R 8.88 4.58 0.00 1.40 1.48 0.00 3.03 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 17 L 8.48 4.47 0.00 1.63 1.56 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.17 4.14 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 0.76 0.00 0.00 1.02 0.00 0.00 19 L 9.08 4.84 0.00 1.62 1.53 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.17 0.00 2.17 2.11 0.00 3.60 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 2.11 2.12 0.00 21 P 0.00 4.41 0.00 2.09 2.16 0.00 3.69 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 2.13 0.00 22 D 8.41 4.78 0.00 2.82 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 23 T 7.18 4.28 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 1.15 0.00 0.00 24 N 7.74 4.41 0.00 2.91 2.87 0.00 0.00 7.05 7.53 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 25 H 8.46 4.34 0.00 3.26 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.68 4.10 0.00 1.67 1.67 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.53 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 0.00 0.00 0.00 28 T 7.88 4.68 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 1.08 0.00 0.00 29 I 8.35 3.93 1.80 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 1.16 0.83 0.82 0.00 0.00 30 F 8.79 4.26 0.00 2.92 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 31 G 9.12 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 32 G 8.05 3.60 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 0.00 0.00 0.00 33 K 7.89 3.69 0.00 1.81 1.47 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.70 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.52 1.62 7.81 34 V 7.59 3.65 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 1.39 0.00 0.00 0.94 0.00 0.00 35 L 8.28 4.00 0.00 1.90 1.73 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.07 3.98 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 37 Y 7.95 4.42 0.00 3.18 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 38 I 8.20 3.72 2.05 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 1.37 0.96 0.85 0.00 0.00 39 D 8.25 4.34 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 40 E 8.34 3.93 0.00 2.32 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 0.00 2.34 2.37 0.00 41 I 7.97 3.77 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 1.46 1.41 0.98 0.00 0.00 42 A 8.23 3.96 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 43 A 8.10 3.95 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 44 L 7.67 4.10 0.00 1.82 1.77 0.93 0.98 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 45 T 8.37 4.39 4.44 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 1.35 0.00 0.00 46 A 8.07 4.08 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 *48 K 8.03 4.19 0.00 1.98 1.93 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 49 H 8.45 4.25 0.00 3.17 3.54 0.00 5.93 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 50 A 8.11 4.40 1.40 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 0.00 0.00 51 N 8.16 4.19 0.00 2.79 2.83 0.00 0.00 6.75 7.57 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 52 S 7.43 4.60 0.00 3.83 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 53 A 8.46 4.29 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 54 V 8.17 5.03 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 0.85 0.00 0.00 0.99 0.00 0.00 55 V 8.54 4.58 2.09 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 0.69 0.00 0.00 0.99 0.00 0.00 56 T 8.49 4.21 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 1.27 0.00 0.00 57 A 8.98 4.18 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 58 S 7.35 4.68 0.00 3.86 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 59 I 8.14 4.95 1.87 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 1.33 1.11 0.91 0.00 0.00 60 D 8.98 4.90 0.00 2.70 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 61 S 8.61 4.16 0.00 3.95 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 62 V 8.02 4.04 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 0.15 0.00 0.00 0.81 0.00 0.00 63 D 8.31 4.63 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 4.58 0.00 3.08 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 65 K 8.96 4.20 0.00 1.99 1.88 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.35 7.81 66 S 7.73 4.54 0.00 3.97 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 67 S 8.33 4.82 0.00 3.92 3.86 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 68 A 7.99 5.12 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 69 T 8.86 5.59 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 1.17 0.00 0.00 70 V 8.49 3.80 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 0.75 0.00 0.00 0.90 0.00 0.00 71 G 8.19 4.09 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 0.00 0.00 0.00 72 D 8.78 5.44 0.00 2.66 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 73 A 8.53 5.00 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 74 L 8.92 5.05 0.00 1.56 1.61 1.16 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.35 5.09 0.00 1.87 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 2.21 2.25 0.00 76 L 9.03 5.32 0.00 1.54 1.49 0.85 0.51 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 77 E 9.17 5.10 0.00 2.05 1.81 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 2.47 2.39 0.00 78 G 9.19 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 0.00 0.00 0.00 0.00 79 F 8.35 5.42 0.00 3.12 3.14 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 80 V 8.76 4.44 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 0.79 0.00 0.00 0.97 0.00 0.00 81 T 8.63 4.78 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 82 H 7.80 4.60 0.00 2.94 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.47 4.94 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 1.31 0.00 0.00 84 G 8.44 4.34 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 0.00 85 R 8.79 4.03 0.00 1.86 1.93 0.00 3.12 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 86 T 8.13 4.86 4.34 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 1.24 0.00 0.00 87 S 7.53 5.03 0.00 4.00 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 *89 E 8.39 4.58 0.00 2.10 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 2.47 2.36 0.00 90 V 8.89 4.79 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 0.91 0.00 0.00 0.97 0.00 0.00 91 Y 8.67 4.70 0.00 2.98 2.26 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 92 V 7.69 4.60 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 0.89 0.00 0.00 0.77 0.00 0.00 93 R 8.42 4.75 0.00 1.85 1.85 0.00 2.95 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 94 V 8.70 4.91 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 0.84 0.00 0.00 0.90 0.00 0.00 95 H 9.37 5.49 0.00 3.13 3.17 0.00 5.85 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 96 S 9.03 5.13 0.00 3.88 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 97 N 9.40 5.24 0.00 2.87 2.72 0.00 0.00 6.77 5.53 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 98 N 8.95 5.51 0.00 2.81 2.70 0.00 0.00 7.07 7.52 0.00 0.00 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 L 8.61 4.16 0.00 1.78 1.70 0.92 1.05 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 0.00 100 L 8.13 4.24 0.00 1.79 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.16 4.26 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 1.21 0.00 0.00 102 G 8.36 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 0.00 103 E 8.16 4.09 0.00 2.09 1.85 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 2.32 2.30 0.00 104 R 8.58 5.14 0.00 1.73 1.86 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 105 T 8.65 4.70 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 0.00 106 L 8.68 4.05 0.00 1.59 1.56 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 T 9.11 4.37 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 1.44 0.00 0.00 108 T 7.21 4.54 4.07 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 1.10 0.00 0.00 109 E 8.38 5.08 0.00 1.73 1.63 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 2.15 2.22 0.00 110 S 8.33 4.50 0.00 3.70 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 0.00 111 F 8.71 5.44 0.00 3.14 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 0.00 112 L 9.23 5.29 0.00 1.58 1.62 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.66 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 1.22 0.00 0.00 *115 V 8.06 4.30 2.09 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 1.08 0.00 0.00 0.94 0.00 0.00 116 A 8.65 4.67 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 0.00 117 V 8.50 5.00 1.98 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 0.80 0.00 0.00 1.00 0.00 0.00 118 D 8.87 4.72 0.00 2.89 2.84 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 0.00 119 E 8.64 4.23 0.00 2.24 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 1.87 0.00 120 S 8.27 4.42 0.00 3.97 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 0.00 121 G 8.58 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 0.00 122 K 8.16 4.33 0.00 2.28 1.73 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.27 7.81 123 P 0.00 4.72 0.00 2.04 2.02 0.00 3.62 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 2.04 2.10 0.00 124 K 8.73 4.71 0.00 1.80 1.76 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 125 P 0.00 4.71 0.00 1.99 1.99 0.00 3.69 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 2.04 2.14 0.00 126 V 8.43 4.71 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 0.85 0.00 0.00 1.10 0.00 0.00 127 P 0.00 4.61 0.00 2.09 2.08 0.00 3.83 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 2.24 0.00 128 Q 9.26 4.67 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.16 0.00 129 V 8.39 4.94 2.14 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 0.92 0.00 0.00 1.13 0.00 0.00 130 E 8.98 4.48 0.00 1.99 1.86 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 2.13 2.13 0.00 131 P 0.00 4.50 0.00 2.09 2.11 0.00 3.34 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 132 Q 9.48 4.33 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 133 T 7.76 4.13 4.20 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 1.13 0.00 0.00 134 E 8.60 3.96 0.00 1.99 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 0.00 2.39 2.30 0.00 135 E 8.12 3.91 0.00 2.03 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 2.41 2.39 0.00 136 E 8.27 4.08 0.00 2.19 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 2.23 2.20 0.00 137 K 8.22 4.00 0.00 1.96 1.87 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.59 7.81 138 R 8.26 3.91 0.00 1.89 2.18 0.00 3.11 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 1.65 1.69 0.00 139 L 8.02 4.13 0.00 1.78 1.85 0.64 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.49 4.29 0.00 3.20 3.14 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 0.00 141 E 8.52 4.08 0.00 2.45 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 2.35 2.19 0.00 142 T 7.69 4.27 4.18 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 1.24 0.00 0.00 143 A 7.45 3.79 1.04 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 0.00 0.00 144 P 0.00 4.01 0.00 2.06 2.03 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 145 A 7.82 3.93 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 0.00 146 R 7.48 3.78 0.00 1.78 1.72 0.00 2.40 0.00 0.00 2.66 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 147 K 8.12 3.87 0.00 1.73 1.86 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 148 E 8.28 3.91 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 2.28 2.37 0.00 149 N 8.15 4.33 0.00 2.91 2.82 0.00 0.00 7.05 7.81 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 0.00 150 R 7.97 3.95 0.00 2.00 1.96 0.00 3.09 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 1.63 1.85 0.00 151 K 7.84 3.97 0.00 2.16 1.86 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.36 7.81 152 K 8.14 4.11 0.00 2.03 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.32 7.81 153 R 7.92 4.02 0.00 1.98 2.16 0.00 3.05 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 154 A 7.49 4.32 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 0.00 155 A 6.97 4.23 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 0.00 156 L 8.28 4.19 0.00 1.65 1.59 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.