NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3875 0.0000 0.0000 62.2277 32.8184 175.7895 5 T 3.6438 8.5594 112.9283 61.5967 69.0292 173.2240 6 I 3.6886 8.6668 126.3918 64.5619 40.2434 178.8086 7 N 4.3622 9.3228 116.0604 56.0391 38.3755 178.4355 8 Q 2.8635 6.8060 117.2890 56.1304 31.5042 176.3302 9 L 3.3831 8.5959 115.1361 56.9941 42.8440 177.5023 10 V 4.0716 7.4461 120.4979 62.0331 33.6964 178.1387 11 R 4.0594 8.5253 119.4221 59.5664 30.0445 177.0334 12 K 4.2049 9.5621 117.5976 58.4622 33.2170 174.8368 13 G 3.1131 7.6404 108.8036 46.2076 0.0000 174.6808 14 R 3.0258 6.4196 121.2254 55.8805 33.1998 178.3960 15 E 3.8817 9.5576 118.8034 55.9188 29.0291 172.9590 16 K 4.5108 7.8304 115.3543 56.2030 36.0555 174.9119 17 V 4.5731 7.9226 112.4423 59.6892 35.1979 177.7607 18 R 4.3880 8.3170 126.7794 56.2801 30.0709 175.0471 19 K 4.7209 8.4031 122.2236 55.6661 36.0665 176.2147 20 K 4.4174 7.7306 120.5704 53.9906 31.8994 173.6646 21 S 3.9046 7.7622 115.2937 55.9948 63.9894 174.5092 22 K 4.0370 8.7131 127.3655 59.3679 32.0357 177.1969 23 V 4.3119 7.7595 117.9631 62.0408 32.2311 173.9894 24 P 3.7660 0.0000 0.0000 64.7766 30.5184 178.4047 25 A 4.2188 9.1806 131.5718 53.7346 20.5284 181.0155 26 L 3.6602 8.3518 117.9368 54.4032 39.4769 174.8740 27 K 3.4474 8.3329 125.5078 59.5959 29.7063 176.1850 28 G 3.7800 7.0408 106.6650 45.8951 0.0000 172.6839 29 A 3.6072 12.0000 118.9238 50.4292 21.2137 177.2136 30 P 4.5028 0.0000 0.0000 61.8649 30.5193 177.5227 31 F 4.6656 6.8591 109.4353 56.5695 40.3840 172.8279 32 R 4.3354 7.5720 126.5511 56.2533 35.5680 172.8493 33 R 4.5350 7.9810 115.7261 54.5946 32.6039 176.9387 34 G 4.2029 8.4784 109.3541 44.1579 0.0000 172.1405 35 V 3.6437 8.5262 126.0079 62.9837 32.1002 175.7639 36 C 3.9605 8.9703 128.5014 61.4454 29.8387 174.0976 37 T 3.9817 8.6331 120.8432 64.2237 68.1501 174.4878 38 V 4.4014 6.0290 125.6905 60.4573 35.2843 175.9995 39 V 4.0759 8.5049 128.1618 62.1550 33.1401 174.1326 40 R 4.2941 7.5072 118.3041 56.3156 32.5686 172.2832 41 T 5.0191 7.7100 109.5189 61.2604 70.0486 174.6806 42 V 4.4620 8.2375 128.5079 61.0186 35.0857 175.5074 43 T 4.9787 8.2831 114.5663 60.1752 70.0708 170.7648 44 P 5.1078 0.0000 0.0000 61.1866 30.4705 179.1450 45 K 4.1636 8.5489 129.2494 57.6175 37.3527 174.5976 46 K 3.9229 9.3873 120.9948 57.1274 31.6893 174.8625 47 P 4.3317 0.0000 0.0000 64.6023 32.6260 176.5795 48 N 4.6990 7.6388 116.0168 51.6761 40.1782 174.4469 49 S 4.4054 8.3704 123.5801 57.0485 60.5026 171.3469 50 A 4.7164 7.2735 124.5803 50.9365 23.4684 175.7347 51 L 5.3169 8.1715 117.4129 53.7121 44.0036 176.7791 52 R 4.7248 8.2022 116.7876 54.7998 34.5222 174.6821 53 K 4.2507 8.9738 121.6673 57.7574 33.0960 176.3270 54 V 4.8225 9.0727 117.8875 59.4685 35.5156 174.5251 55 A 4.6738 7.9720 122.2609 52.3055 21.7857 175.4872 56 K 4.4189 9.6188 121.3073 55.1826 34.5513 175.7403 57 V 4.5746 8.7931 126.4851 60.9259 33.4830 175.0501 58 R 4.2330 10.6400 130.0982 55.3051 31.1333 175.6669 59 L 4.2724 8.2722 129.6402 55.0665 42.7628 177.7057 60 T 3.8900 8.5364 122.2904 66.8281 68.4398 174.9398 61 S 4.2661 7.5158 114.0827 58.2143 63.3065 174.2753 62 G 4.0123 8.2969 108.4835 46.8554 0.0000 172.6336 63 Y 5.2171 7.2594 119.6849 57.4957 39.7952 177.8303 64 E 4.7435 8.9653 123.7818 57.2890 31.5159 175.0852 65 V 3.7427 7.5879 113.8508 60.2495 33.7580 174.4990 66 T 5.0028 8.3372 110.2860 60.2905 71.1958 173.0333 67 A 5.1440 8.5420 125.3463 50.2883 22.7275 174.0474 68 Y 4.9736 8.4689 118.9663 56.1987 42.1373 174.9187 69 I 4.0441 7.3950 124.8723 58.9310 37.3908 174.1010 70 P 4.1717 0.0000 0.0000 64.7796 33.2679 178.6871 71 G 4.0050 8.4404 102.1816 46.4883 0.0000 174.2056 72 E 4.9612 9.3582 127.0880 57.9412 34.8750 179.9699 73 G 4.0621 8.1519 112.9787 46.7062 0.0000 173.0283 74 H 4.0575 9.5811 116.3833 57.1437 28.2541 176.7743 75 N 4.0370 8.5467 121.1890 53.3254 39.3403 178.9474 76 L 4.3911 7.2763 124.8424 54.4492 42.8309 176.8279 77 Q 4.5160 7.5269 114.3690 55.6967 32.5109 177.7455 78 E 2.8734 8.1251 113.0163 56.2665 32.8549 176.0231 79 H 5.8990 5.2900 127.6101 53.9372 30.8559 174.2331 80 S 4.9467 7.5470 124.6283 58.0036 65.3677 177.3832 81 V 4.6989 8.1184 120.2290 61.7061 35.4119 171.2980 82 V 4.3678 7.6692 121.6111 61.7521 35.6833 170.1010 83 L 4.2299 7.6655 122.2322 53.0159 43.5755 174.9487 84 I 4.0212 7.7664 119.7498 61.2103 39.4775 174.0046 85 R 4.0927 9.5753 124.6973 54.6130 30.1265 175.7304 86 G 3.3102 9.3685 98.8963 42.3447 0.0000 173.1513 87 G 4.4554 8.3583 120.9624 44.7706 0.0000 172.6291 88 R 4.6105 8.1697 125.3041 56.1017 30.8562 176.4401 89 V 4.4914 7.9083 119.6647 61.5151 35.1125 175.3019 90 K 4.2570 8.4123 124.8736 56.7729 33.7394 177.4508 91 D 4.5146 9.6348 117.4948 55.8100 41.6502 174.3813 92 L 4.7694 7.7204 117.9594 54.0250 41.4126 174.2026 93 P 4.6072 0.0000 0.0000 63.0217 31.8706 177.6460 94 G 3.9151 10.1791 105.7846 47.0981 0.0000 173.8144 95 V 3.7539 7.6604 119.8722 63.4039 32.2605 176.3157 96 R 4.4089 8.1938 121.6719 56.2698 31.6094 174.8537 97 Y 5.7771 7.4591 115.3201 58.1018 42.4528 175.5425 98 H 5.2240 8.1550 115.6806 56.0005 30.9341 176.7748 99 I 4.7154 8.4399 117.7767 60.4779 40.6258 171.2695 100 V 4.6183 7.5366 120.4555 59.4164 33.7439 175.5148 101 R 3.6145 7.8399 125.5909 55.2229 30.3458 174.9397 102 G 3.6872 8.6497 110.1535 45.0459 0.0000 170.8384 103 V 3.9023 9.3707 124.4846 61.7227 28.6831 172.9256 104 Y 4.6163 9.5735 109.6632 58.0843 37.3927 177.7795 105 D 4.6062 8.6389 120.6674 55.1266 40.7976 177.7333 106 A 4.2472 7.5901 122.1085 50.1461 20.5799 176.3498 107 A 4.4114 8.3820 124.8869 52.7823 19.2932 177.1619 108 G 3.5304 8.3604 108.3298 45.0315 0.0000 175.1613 109 V 2.9470 7.9670 121.9015 62.0029 30.0075 174.1819 110 K 3.5822 8.9944 130.5818 59.0167 32.2383 176.5471 111 D 4.1469 8.3708 118.4587 55.9384 37.3071 171.4718 112 R 4.3862 7.9135 121.0305 54.9703 30.4812 176.5608 113 K 4.4801 8.6196 121.2492 55.7999 33.9806 175.8817 114 K 4.5309 7.5592 117.9871 55.4850 34.7850 177.2527 115 S 3.7930 7.4064 112.0897 59.2763 59.5297 174.3952 116 R 4.4440 8.2922 120.6789 56.4079 29.8030 178.3421 117 S 4.5041 8.5000 113.4814 58.3787 64.7610 175.8539 118 K 3.7016 7.4804 117.7984 58.5647 32.6253 175.9485 119 Y 5.6048 8.0523 122.3145 58.8682 41.6887 171.3405 120 G 4.0070 7.9081 112.8292 44.9291 0.0000 172.4430 121 T 4.1035 7.4172 114.8988 63.3890 71.5523 172.1045 122 K 4.6626 8.3570 121.9064 54.9141 36.3278 175.5957 123 K 4.6427 8.3395 119.2053 54.1867 34.6042 174.2725 124 P 4.7701 0.0000 0.0000 62.6744 29.9941 179.7363 125 K 4.4563 8.8672 116.3162 54.2289 32.4386 175.5488 126 E 4.4486 8.1325 123.6276 55.6372 32.0558 177.2082 127 A 4.1456 8.2829 121.1816 53.2713 19.1119 176.2754 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 4 P 0.00 4.39 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 5 T 8.56 3.64 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 1.28 0.00 0.00 6 I 8.67 3.69 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 1.30 0.40 0.91 0.00 0.00 7 N 9.32 4.36 0.00 2.75 2.45 0.00 0.00 6.89 6.71 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 8 Q 6.81 2.86 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.27 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 9 L 8.60 3.38 0.00 1.96 1.79 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.45 4.07 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 0.89 0.00 0.00 0.93 0.00 0.00 11 R 8.53 4.06 0.00 2.04 2.22 0.00 3.02 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.00 12 K 9.56 4.20 0.00 1.71 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.47 7.81 13 G 7.64 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 0.00 0.00 0.00 14 R 6.42 3.03 0.00 1.82 1.90 0.00 3.42 0.00 0.00 3.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 15 E 9.56 3.88 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 16 K 7.83 4.51 0.00 1.74 1.67 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.44 7.81 17 V 7.92 4.57 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 0.75 0.00 0.00 0.93 0.00 0.00 18 R 8.32 4.39 0.00 1.80 1.78 0.00 3.15 0.00 0.00 3.23 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 19 K 8.40 4.72 0.00 1.69 1.69 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.34 7.81 20 K 7.73 4.42 0.00 1.66 1.68 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.37 7.81 21 S 7.76 3.90 0.00 3.90 3.73 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 22 K 8.71 4.04 0.00 1.84 1.92 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.41 7.81 23 V 7.76 4.31 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 1.30 0.00 0.00 0.99 0.00 0.00 24 P 0.00 3.77 0.00 1.94 1.31 0.00 4.16 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.79 0.00 25 A 9.18 4.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.35 3.66 0.00 1.86 1.52 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.33 3.45 0.00 2.00 1.78 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 28 G 7.04 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 29 A 12.00 3.61 0.65 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 0.00 0.00 30 P 0.00 4.50 0.00 2.31 2.14 0.00 3.80 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 31 F 6.86 4.67 0.00 3.11 2.93 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 32 R 7.57 4.34 0.00 1.75 1.61 0.00 2.92 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 33 R 7.98 4.53 0.00 1.78 1.81 0.00 3.28 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 1.69 1.60 0.00 34 G 8.48 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 0.00 0.00 0.00 0.00 35 V 8.53 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 0.66 0.00 0.00 0.94 0.00 0.00 36 C 8.97 3.96 0.00 3.13 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 37 T 8.63 3.98 4.86 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 1.23 0.00 0.00 38 V 6.03 4.40 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 1.09 0.00 0.00 0.95 0.00 0.00 39 V 8.50 4.08 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 0.70 0.00 0.00 1.00 0.00 0.00 40 R 7.51 4.29 0.00 1.96 1.99 0.00 3.27 0.00 0.00 3.27 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 41 T 7.71 5.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 42 V 8.24 4.46 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 0.71 0.00 0.00 0.94 0.00 0.00 43 T 8.28 4.98 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 1.21 0.00 0.00 44 P 0.00 5.11 0.00 2.12 1.05 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 45 K 8.55 4.16 0.00 1.91 1.78 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.21 7.81 46 K 9.39 3.92 0.00 1.86 1.66 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.46 7.81 47 P 0.00 4.33 0.00 2.21 2.15 0.00 4.21 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 48 N 7.64 4.70 0.00 2.62 2.72 0.00 0.00 7.14 7.43 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 49 S 8.37 4.41 0.00 3.87 3.79 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 50 A 7.27 4.72 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 51 L 8.17 5.32 0.00 1.54 1.63 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.20 4.72 0.00 1.87 1.91 0.00 3.18 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 53 K 8.97 4.25 0.00 1.90 1.73 0.00 1.53 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.54 7.81 54 V 9.07 4.82 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 0.77 0.00 0.00 0.94 0.00 0.00 55 A 7.97 4.67 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 56 K 9.62 4.42 0.00 1.92 1.73 0.00 1.49 0.00 0.00 1.59 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 57 V 8.79 4.57 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 0.83 0.00 0.00 0.97 0.00 0.00 58 R 10.64 4.23 0.00 2.12 1.78 0.00 3.24 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 59 L 8.27 4.27 0.00 1.70 1.53 -0.36 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.54 3.89 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 1.14 0.00 0.00 61 S 7.52 4.27 0.00 3.08 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 62 G 8.30 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 0.00 0.00 0.00 63 Y 7.26 5.22 0.00 2.97 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 64 E 8.97 4.74 0.00 2.04 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 2.19 2.28 0.00 65 V 7.59 3.74 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 1.03 0.00 0.00 66 T 8.34 5.00 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 67 A 8.54 5.14 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 68 Y 8.47 4.97 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 69 I 7.39 4.04 1.60 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.78 0.00 0.00 70 P 0.00 4.17 0.00 2.21 2.19 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 71 G 8.44 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 0.00 0.00 0.00 72 E 9.36 4.96 0.00 2.03 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 2.17 2.14 0.00 73 G 8.15 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 9.58 4.06 0.00 3.20 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.55 4.04 0.00 2.79 2.66 0.00 0.00 5.97 7.79 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 76 L 7.28 4.39 0.00 1.78 1.77 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.53 4.52 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.30 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 78 E 8.13 2.87 0.00 2.27 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 0.00 2.34 2.35 0.00 79 H 5.29 5.90 0.00 3.29 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.55 4.95 0.00 3.77 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 81 V 8.12 4.70 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 0.89 0.00 0.00 1.00 0.00 0.00 82 V 7.67 4.37 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 0.62 0.00 0.00 0.97 0.00 0.00 83 L 7.67 4.23 0.00 0.42 1.21 0.52 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.77 4.02 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.91 0.86 0.00 0.00 85 R 9.58 4.09 0.00 1.70 1.80 0.00 3.23 0.00 0.00 3.24 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 86 G 9.37 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 0.00 0.00 0.00 0.00 87 G 8.36 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.17 4.61 0.00 1.70 1.96 0.00 3.18 0.00 0.00 3.78 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 89 V 7.91 4.49 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 0.71 0.00 0.00 1.07 0.00 0.00 90 K 8.41 4.26 0.00 1.74 1.74 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.43 7.81 91 D 9.63 4.51 0.00 2.80 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 92 L 7.72 4.77 0.00 1.80 1.68 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.61 0.00 2.04 2.11 0.00 3.60 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 94 G 10.18 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 95 V 7.66 3.75 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 1.05 0.00 0.00 0.91 0.00 0.00 96 R 8.19 4.41 0.00 1.59 1.28 0.00 3.28 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 97 Y 7.46 5.78 0.00 2.85 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 98 H 8.16 5.22 0.00 3.37 3.02 0.00 5.69 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 99 I 8.44 4.72 2.01 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 1.33 0.47 0.87 0.00 0.00 100 V 7.54 4.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 101 R 7.84 3.61 0.00 0.67 1.18 0.00 3.09 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.22 0.00 102 G 8.65 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 0.00 103 V 9.37 3.90 2.34 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 0.93 0.00 0.00 0.99 0.00 0.00 104 Y 9.57 4.62 0.00 2.88 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 0.00 105 D 8.64 4.61 0.00 2.99 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 0.00 106 A 7.59 4.25 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.38 4.41 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 0.00 108 G 8.36 3.53 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 0.00 0.00 0.00 109 V 7.97 2.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.24 0.00 0.00 110 K 8.99 3.58 0.00 1.73 1.77 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 111 D 8.37 4.15 0.00 2.77 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 0.00 112 R 7.91 4.39 0.00 1.81 1.91 0.00 3.35 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 113 K 8.62 4.48 0.00 1.70 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.41 7.81 114 K 7.56 4.53 0.00 1.72 1.75 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.33 7.81 115 S 7.41 3.79 0.00 3.86 3.77 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 0.00 116 R 8.29 4.44 0.00 1.92 1.93 0.00 3.03 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 117 S 8.50 4.50 0.00 3.76 3.73 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 0.00 118 K 7.48 3.70 0.00 1.68 1.83 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.70 1.37 7.81 119 Y 8.05 5.60 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.91 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 0.00 0.00 0.00 121 T 7.42 4.10 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 1.32 0.00 0.00 122 K 8.36 4.66 0.00 1.66 1.68 0.00 1.61 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 1.33 1.49 7.81 123 K 8.34 4.64 0.00 1.72 2.29 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.34 7.81 124 P 0.00 4.77 0.00 2.17 1.33 0.00 3.84 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 1.98 1.98 0.00 125 K 8.87 4.46 0.00 1.70 1.77 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.44 7.81 126 E 8.13 4.45 0.00 2.07 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 0.00 2.25 2.24 0.00 127 A 8.28 4.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00