NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1831 8.0976 119.6937 57.2725 30.9983 174.6598 3 H 3.9695 8.9440 117.2095 55.4171 27.8248 173.3030 4 L 4.3473 8.3651 121.5866 55.6468 42.8448 179.3939 5 K 3.9988 8.0238 117.2266 59.1655 32.2463 176.7157 6 S 4.6019 7.5089 113.0688 56.8569 65.3274 172.8507 7 G 3.7920 8.5687 109.3862 45.8283 0.0000 175.0390 8 R 3.5692 8.6098 120.7680 56.6511 30.0781 174.8642 9 K 4.7375 8.0770 113.2374 56.0932 35.4061 175.0839 10 L 4.4947 8.0898 118.0592 53.9703 45.4531 174.5515 11 N 4.6308 8.3355 119.9710 52.4974 41.0687 174.7901 12 R 3.9621 9.0503 121.8842 55.2820 30.7298 177.3572 13 H 5.0648 7.8602 121.8781 55.6474 26.9654 175.8917 14 S 4.6457 8.7053 110.6875 59.6336 64.5811 175.0407 15 S 4.2274 8.0965 118.1271 60.9553 62.4988 175.9208 16 H 4.0444 8.1321 121.6092 59.0261 29.8215 177.1070 17 R 3.7290 7.8496 117.4079 59.2096 29.1321 178.1339 18 L 4.0617 8.6768 120.9953 58.1141 42.1637 178.8850 19 A 4.0570 8.1020 120.5477 54.6590 18.1255 179.4252 20 L 3.7306 8.0008 119.6002 58.5152 42.1273 178.6036 21 Y 3.8142 7.4557 116.4884 61.1433 37.6381 178.9572 22 R 4.0091 7.7753 118.7547 59.4247 30.2562 178.9285 23 N 4.3245 8.3924 116.5639 56.5098 38.5760 177.5857 24 Q 4.0342 8.3731 119.4802 58.6634 28.7014 178.5248 25 A 4.1109 8.4858 122.4400 54.9296 18.2711 179.6012 26 K 3.8933 8.3209 117.2001 60.1261 32.2815 179.8543 27 S 4.2062 8.0251 114.4469 61.2140 62.6154 176.5825 28 L 4.0658 8.0239 123.5261 57.8843 41.6638 178.4649 29 L 4.1643 8.1393 117.3431 56.6674 41.7336 178.7169 30 T 4.1782 7.3591 115.4937 65.6662 68.9639 175.7545 31 H 4.7976 8.2530 115.1310 54.6028 30.4336 175.2744 32 G 4.3224 8.4585 114.0954 45.1928 0.0000 173.2827 33 R 4.9078 7.7828 119.4558 54.1869 31.9190 175.8446 34 I 4.6782 8.2560 125.5411 59.5320 40.6080 175.0416 35 T 4.7712 8.5097 117.6174 61.5341 70.4817 173.7641 36 T 4.3956 8.2666 117.6265 61.6357 72.0279 172.2115 37 T 4.3497 8.2628 112.5986 61.6222 69.2644 174.9697 38 V 3.5467 8.0199 124.1893 65.9600 31.8916 176.5566 39 P 4.3837 0.0000 0.0000 65.6792 31.2505 178.4374 40 K 3.8213 7.9206 116.6336 59.6268 31.9114 179.0662 41 A 4.0052 7.9740 120.5887 55.2680 18.0263 179.7601 42 K 3.9143 7.9428 116.6134 59.8100 31.6035 179.4675 43 E 4.0599 8.1945 118.3036 59.1777 29.6977 178.8142 44 L 4.2953 8.5834 120.6589 57.6300 41.8966 178.9954 45 R 3.9869 8.2146 119.3897 59.6460 30.2926 178.8115 46 G 3.6453 7.7300 105.0902 47.2561 0.0000 175.5982 47 F 4.0536 7.9162 122.0432 61.1670 39.4033 177.4449 48 V 3.6200 7.9017 117.7020 66.3196 31.3336 177.4545 49 D 4.3821 7.8651 118.5951 57.8612 40.6429 178.6706 50 H 4.0452 7.7584 117.4266 59.2260 29.7993 177.3651 51 L 3.7877 7.2496 120.1396 57.6050 41.2629 179.5810 52 I 3.3078 7.6541 119.8982 64.6180 36.8516 178.1020 53 H 3.6718 7.6239 117.6015 58.6528 29.8025 176.7379 54 L 4.0005 7.6543 122.3344 57.8586 41.7163 178.5660 55 A 3.5736 7.7199 119.8781 54.1359 18.2633 179.0812 56 K 3.9088 7.6879 117.7311 57.6880 32.5396 177.5659 57 R 4.6595 8.0448 122.9535 55.2349 28.9766 175.7172 58 G 4.0254 9.0187 108.5460 46.0126 0.0000 173.0098 59 D 4.4325 7.7290 121.2449 52.8825 39.7441 177.7442 60 L 3.8783 8.4248 121.4070 58.8851 40.2481 179.0736 61 H 4.0487 8.1972 118.9326 59.3159 29.6809 176.8578 62 A 4.0404 7.8612 120.6955 55.2044 18.4260 179.1670 63 R 4.0900 7.7624 117.0143 59.7332 30.1057 178.6849 64 R 3.9731 8.6172 118.2869 59.1257 30.2405 178.9571 65 L 3.9086 7.9022 120.3820 58.0222 42.1898 178.8990 66 V 3.8546 7.9104 117.4720 64.9775 31.3185 177.7899 67 L 4.5810 7.3132 119.2131 56.8916 41.3892 179.2225 68 R 4.0990 7.3484 116.8733 59.3888 30.0948 178.3454 69 D 4.6672 7.9581 116.8326 55.9733 41.5425 176.4351 70 L 4.3160 7.6652 119.6618 54.3540 42.2926 177.7696 71 Q 4.0807 8.6554 124.8928 57.9531 30.1114 176.0048 72 D 4.4169 7.9384 118.0243 54.1943 42.1896 176.9257 73 V 3.7025 8.4483 126.6857 65.8378 31.6213 178.0276 74 K 4.0732 8.4389 118.6396 59.0107 31.9179 179.1035 75 L 3.9709 7.6671 120.7816 58.0996 42.0805 179.4470 76 V 3.7074 7.7895 118.8392 64.7430 31.3514 178.2570 77 R 4.0092 8.1269 119.4350 59.2155 29.8880 178.3881 78 K 4.0265 8.3228 119.4064 58.8340 32.1048 178.7514 79 L 3.8936 7.6470 120.6404 58.0344 41.8909 178.4515 80 F 4.3476 8.1964 115.0568 58.9632 38.9759 176.2799 81 D 4.7350 7.5480 116.9999 55.7300 41.9890 177.2773 82 E 4.3547 8.0154 118.4205 58.3411 30.2113 177.9536 83 I 3.8253 7.6754 117.4686 64.3882 37.7058 177.8313 84 A 4.1022 8.3078 121.7320 54.8560 18.1900 177.8799 85 P 4.2413 0.0000 0.0000 65.8456 31.2178 178.8916 86 R 3.8541 7.5861 115.9907 58.6906 29.8658 177.0276 87 Y 4.6744 7.4449 114.0001 57.4703 38.4785 175.7340 88 R 3.9552 8.0435 121.4579 57.9092 30.5001 177.9148 89 D 4.6353 8.8295 121.8663 55.2208 40.2183 174.5237 90 R 4.2242 7.7521 121.2630 54.4610 28.6476 176.5058 91 Q 4.0263 7.2463 116.5425 56.6278 29.4429 178.0233 92 G 3.6836 8.4734 111.0278 45.4816 0.0000 172.0951 93 G 3.7641 8.0287 104.0370 46.8124 0.0000 174.8280 94 Y 4.2710 7.5039 114.6336 58.7812 38.1075 175.0233 95 T 4.8875 7.3023 112.9515 60.9186 71.2524 172.5195 96 R 4.7781 9.2531 124.1431 54.5174 33.9166 173.9718 97 V 4.9845 8.4596 117.5512 59.5893 34.4822 175.0071 98 L 4.8217 8.8973 124.7114 52.6004 45.4571 176.1646 99 K 4.4167 8.8617 123.6229 56.5177 32.6562 176.3890 100 L 4.7430 8.5725 124.6079 53.1871 43.0622 176.9529 101 A 4.1212 8.6381 124.4960 54.6234 18.9385 177.7896 102 E 4.3074 7.8870 114.3520 57.0014 30.6823 177.1565 103 R 4.6782 8.1356 119.1349 54.6640 34.0747 175.3766 104 R 3.9172 8.7318 125.6090 56.4144 30.9193 176.2150 105 R 4.1230 8.5860 126.6705 57.7445 30.9016 175.3766 106 G 4.3479 9.0755 118.0545 45.5725 0.0000 174.2927 107 D 4.5313 7.8182 116.8493 51.8108 40.4314 176.9328 108 G 3.8852 8.3616 107.2414 46.1409 0.0000 173.4045 109 A 4.2401 8.0312 122.3749 50.9095 19.4915 176.1170 110 P 4.6404 0.0000 0.0000 62.8396 32.7740 175.8845 111 L 4.7628 8.4511 122.8719 53.9455 44.8970 174.8625 112 A 5.1133 8.2742 120.8925 51.5084 23.2953 174.6021 113 L 4.9753 9.0130 119.1600 53.7206 45.7881 176.0383 114 V 4.6281 8.8103 126.5787 61.3756 32.2824 172.6839 115 E 4.6766 9.0166 128.5081 54.2003 31.5576 174.7196 116 L 4.6581 8.3752 127.6300 54.3491 41.5810 177.1267 117 V 3.7541 8.4268 123.7171 62.5158 31.9081 176.0590 118 E 4.3054 8.5049 121.7964 57.0790 29.3851 175.1276 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 R 8.10 4.18 0.00 1.72 1.81 0.00 3.43 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 H 8.94 3.97 0.00 3.45 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.37 4.35 0.00 1.74 1.64 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.02 4.00 0.00 1.77 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.51 7.81 6 S 7.51 4.60 0.00 4.02 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 7 G 8.57 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 0.00 0.00 0.00 8 R 8.61 3.57 0.00 2.06 2.03 0.00 3.01 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 9 K 8.08 4.74 0.00 1.84 1.78 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.41 7.81 10 L 8.09 4.49 0.00 1.64 1.64 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.34 4.63 0.00 2.62 2.65 0.00 0.00 7.07 7.65 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 12 R 9.05 3.96 0.00 1.71 1.65 0.00 2.98 0.00 0.00 2.86 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.34 0.00 13 H 7.86 5.06 0.00 3.25 2.40 0.00 5.67 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 14 S 8.71 4.65 0.00 4.08 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.10 4.23 0.00 4.10 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 16 H 8.13 4.04 0.00 2.83 2.98 0.00 5.68 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 17 R 7.85 3.73 0.00 1.99 2.30 0.00 3.12 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 18 L 8.68 4.06 0.00 1.83 1.94 0.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.10 4.06 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 20 L 8.00 3.73 0.00 1.69 1.52 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.46 3.81 0.00 2.59 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 22 R 7.78 4.01 0.00 2.04 2.04 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 23 N 8.39 4.32 0.00 2.86 2.83 0.00 0.00 7.05 6.84 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 24 Q 8.37 4.03 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 25 A 8.49 4.11 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 3.89 0.00 2.05 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.75 7.81 27 S 8.03 4.21 0.00 3.92 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 28 L 8.02 4.07 0.00 1.94 1.88 0.95 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 29 L 8.14 4.16 0.00 1.77 1.70 0.89 1.14 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 30 T 7.36 4.18 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 31 H 8.25 4.80 0.00 3.13 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.46 4.32 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 0.00 33 R 7.78 4.91 0.00 1.69 1.89 0.00 3.24 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 34 I 8.26 4.68 1.89 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 1.32 1.02 0.92 0.00 0.00 35 T 8.51 4.77 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 1.21 0.00 0.00 36 T 8.27 4.40 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 1.21 0.00 0.00 37 T 8.26 4.35 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 1.19 0.00 0.00 38 V 8.02 3.55 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 0.86 0.00 0.00 0.96 0.00 0.00 39 P 0.00 4.38 0.00 2.19 2.08 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 2.10 2.17 0.00 40 K 7.92 3.82 0.00 1.95 2.00 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81 41 A 7.97 4.01 1.43 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 0.00 0.00 0.00 42 K 7.94 3.91 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.76 7.81 43 E 8.19 4.06 0.00 2.26 2.44 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 2.67 2.51 0.00 44 L 8.58 4.30 0.00 1.87 1.99 0.99 0.83 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 45 R 8.21 3.99 0.00 2.04 2.19 0.00 3.16 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 46 G 7.73 3.65 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 0.00 47 F 7.92 4.05 0.00 3.00 3.17 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 0.00 0.00 0.00 48 V 7.90 3.62 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 1.03 0.00 0.00 1.12 0.00 0.00 49 D 7.87 4.38 0.00 2.80 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 50 H 7.76 4.05 0.00 3.22 3.26 0.00 5.78 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 51 L 7.25 3.79 0.00 1.73 1.53 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.65 3.31 1.45 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.06 0.00 0.00 53 H 7.62 3.67 0.00 3.05 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.65 4.00 0.00 1.79 1.59 0.79 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.72 3.57 0.51 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 0.00 0.00 0.00 56 K 7.69 3.91 0.00 1.58 1.77 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.59 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 57 R 8.04 4.66 0.00 1.86 1.10 0.00 3.57 0.00 0.00 3.25 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 58 G 9.02 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 0.00 0.00 0.00 59 D 7.73 4.43 0.00 2.85 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 60 L 8.42 3.88 0.00 1.80 1.89 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.20 4.05 0.00 3.19 3.51 0.00 5.68 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 62 A 7.86 4.04 1.49 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 63 R 7.76 4.09 0.00 1.44 1.94 0.00 2.83 0.00 0.00 3.18 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 64 R 8.62 3.97 0.00 1.80 1.96 0.00 3.17 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 65 L 7.90 3.91 0.00 1.87 1.79 0.89 0.68 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 66 V 7.91 3.85 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 0.94 0.00 0.00 0.98 0.00 0.00 67 L 7.31 4.58 0.00 1.76 1.74 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.35 4.10 0.00 2.01 2.02 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 69 D 7.96 4.67 0.00 2.75 2.96 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 70 L 7.67 4.32 0.00 1.78 1.63 0.92 0.75 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 71 Q 8.66 4.08 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 72 D 7.94 4.42 0.00 2.80 2.56 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 73 V 8.45 3.70 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 1.03 0.00 0.00 0.94 0.00 0.00 74 K 8.44 4.07 0.00 2.15 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 75 L 7.67 3.97 0.00 1.83 1.81 0.93 0.88 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 76 V 7.79 3.71 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 0.90 0.00 0.00 1.21 0.00 0.00 77 R 8.13 4.01 0.00 2.15 2.15 0.00 3.11 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 78 K 8.32 4.03 0.00 1.94 2.02 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.45 7.81 79 L 7.65 3.89 0.00 1.85 1.42 0.70 0.84 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 80 F 8.20 4.35 0.00 3.08 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 81 D 7.55 4.74 0.00 2.87 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 82 E 8.02 4.35 0.00 2.05 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 2.25 2.33 0.00 83 I 7.68 3.83 1.98 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 1.82 0.91 0.94 0.00 0.00 84 A 8.31 4.10 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 85 P 0.00 4.24 0.00 2.18 2.13 0.00 3.73 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 2.37 2.21 0.00 86 R 7.59 3.85 0.00 1.73 1.60 0.00 3.11 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 87 Y 7.44 4.67 0.00 3.07 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 88 R 8.04 3.96 0.00 2.08 1.83 0.00 3.27 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 89 D 8.83 4.64 0.00 2.91 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 90 R 7.75 4.22 0.00 1.88 2.24 0.00 3.61 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 91 Q 7.25 4.03 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 92 G 8.47 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.03 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 94 Y 7.50 4.27 0.00 2.84 2.27 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 0.00 95 T 7.30 4.89 4.31 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 1.32 0.00 0.00 96 R 9.25 4.78 0.00 1.88 1.88 0.00 3.29 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 97 V 8.46 4.98 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 0.81 0.00 0.00 0.94 0.00 0.00 98 L 8.90 4.82 0.00 1.54 1.52 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.86 4.42 0.00 1.64 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.42 7.81 100 L 8.57 4.74 0.00 1.70 1.57 0.92 1.03 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 0.00 101 A 8.64 4.12 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 0.00 102 E 7.89 4.31 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 103 R 8.14 4.68 0.00 1.63 1.79 0.00 3.22 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 104 R 8.73 3.92 0.00 1.90 2.08 0.00 3.09 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 105 R 8.59 4.12 0.00 1.80 1.81 0.00 3.30 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 106 G 9.08 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 0.00 0.00 0.00 0.00 107 D 7.82 4.53 0.00 2.78 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 0.00 108 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 0.00 109 A 8.03 4.24 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 0.00 110 P 0.00 4.64 0.00 2.12 2.19 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 111 L 8.45 4.76 0.00 1.61 1.61 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.27 5.11 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 0.00 113 L 9.01 4.98 0.00 1.71 1.46 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.81 4.63 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 0.96 0.00 0.00 115 E 9.02 4.68 0.00 2.11 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 2.29 2.31 0.00 116 L 8.38 4.66 0.00 1.64 1.91 1.00 1.06 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 0.00 117 V 8.43 3.75 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 1.05 0.00 0.00 1.00 0.00 0.00 118 E 8.50 4.31 0.00 1.86 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 0.00 2.08 2.24 0.00