NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4938 8.1933 115.4156 57.8346 64.5044 174.6818 4 L 3.8566 8.3257 122.1577 56.9687 41.4172 177.7180 5 C 4.3518 8.8400 121.1030 62.2070 31.9789 175.3196 6 L 4.0695 7.9687 119.8688 57.5984 41.3080 179.4855 7 Q 3.9609 7.9287 119.7790 59.2040 28.9648 178.2412 8 R 4.2647 8.2772 121.4623 58.9872 30.1351 178.5118 9 L 3.9631 8.2150 118.8537 57.7708 41.5397 179.4940 10 Q 4.1324 8.2654 118.2456 58.8558 28.3292 178.5968 11 E 4.0446 8.1131 119.3699 59.4233 29.6826 179.0574 12 E 4.0793 8.6209 119.0572 59.4464 29.4466 179.5307 13 R 4.4804 8.4139 118.7795 59.3920 30.0134 178.3485 14 K 3.9720 7.9592 118.3783 59.4287 31.9593 178.3940 15 K 4.1524 8.4003 119.8605 59.2771 32.0826 178.6101 16 W 4.3238 8.6709 129.1179 60.5584 30.5048 178.1223 17 R 4.1520 8.4542 114.0650 58.5504 28.9925 177.5603 18 K 4.2000 7.5809 116.1735 57.5703 32.7837 176.4620 19 D 4.3017 7.7023 118.1251 53.6022 43.4690 173.8147 20 H 4.3520 7.9134 120.8103 52.9424 31.1246 171.4616 21 P 4.1355 0.0000 0.0000 62.8074 31.5980 175.8082 22 F 4.2500 8.7242 124.7834 59.6521 39.8225 175.3979 23 G 3.6759 8.1935 116.1055 44.8161 0.0000 172.9893 24 F 5.1512 7.7544 118.0373 56.4784 41.0787 174.8373 25 Y 5.4004 8.1760 117.5111 56.1308 41.7334 173.7972 26 A 5.1228 8.8825 119.5218 51.3495 22.0604 175.6625 27 K 3.8926 8.5685 118.7714 55.0368 36.1697 173.3969 28 P 4.1110 0.0000 0.0000 62.4789 32.1697 176.3908 29 V 4.0106 8.2560 115.5185 60.7650 33.1411 175.7849 30 K 4.5381 8.4615 123.8190 56.3124 33.0844 177.2238 31 K 4.3920 9.0271 124.6342 54.8416 33.9630 177.5810 32 A 3.9650 8.7270 123.6498 55.3044 18.1551 178.1155 33 D 4.6220 8.0875 112.4236 53.1916 39.7785 177.3030 34 G 3.9431 8.2429 109.8667 45.3235 0.0000 174.2497 35 S 4.5038 8.0237 114.6350 58.1706 64.8770 173.1604 36 M 4.6572 8.3285 119.9028 54.5436 33.5467 176.2679 37 D 4.6498 8.8284 123.5452 52.7463 40.9047 176.9186 38 L 4.1506 8.5473 125.9930 57.0828 42.0631 178.3669 39 Q 4.4836 8.3676 116.5163 55.9832 29.3042 174.8575 40 K 5.0860 8.4947 120.5249 54.8326 35.3489 174.8856 41 W 5.3766 9.5845 127.6880 54.9428 33.1653 174.4642 42 E 5.2147 9.1601 121.6623 54.7451 31.8676 175.1884 43 A 5.0567 9.2373 125.3776 50.1244 23.6357 174.5897 44 G 3.6116 7.8904 105.0687 44.3391 0.0000 171.8877 45 I 4.2468 8.4840 125.9276 58.4816 39.3610 173.3621 46 P 4.7647 0.0000 0.0000 62.1326 32.1850 176.6187 47 G 4.4287 8.8092 110.1084 45.6217 0.0000 173.5112 48 K 4.4290 8.7389 121.4551 55.4239 33.0055 176.7659 49 E 4.0117 8.6516 124.0996 57.6269 30.1289 176.9942 50 G 4.0265 9.2063 112.3556 45.6270 0.0000 172.6373 51 T 4.8706 7.4913 108.0598 59.3460 71.8303 174.5483 52 N 4.5458 8.8515 118.0698 54.9408 38.6595 176.2517 53 W 4.4369 8.2715 117.6726 57.0737 29.8315 176.3463 54 A 4.2229 7.7190 121.9401 53.9406 18.2398 176.7214 55 G 4.1164 9.2695 108.9857 45.0218 0.0000 174.1264 56 G 3.8071 7.7847 105.6453 45.0072 0.0000 173.4540 57 V 4.4668 8.0346 120.7809 61.0101 33.5320 174.3834 58 Y 4.3540 8.6186 127.7755 56.0630 39.1554 173.6315 59 P 4.8935 0.0000 0.0000 62.6750 32.5698 175.5874 60 I 4.8878 8.8382 115.7326 59.3588 41.7465 173.8048 61 T 4.9922 8.4685 112.8289 59.8475 71.8432 172.8852 62 V 4.4777 8.8306 124.4187 61.0629 34.2684 173.8230 63 E 4.9164 8.7399 128.0896 54.7818 31.9188 174.6262 64 Y 4.4716 8.6758 124.1591 55.8453 39.0117 174.5181 65 P 4.5503 0.0000 0.0000 62.0341 32.4757 177.0028 66 N 4.4010 8.6650 116.2366 56.3850 38.7405 176.1484 67 E 4.3004 8.1307 115.5548 56.7406 29.9004 175.8157 68 Y 4.6947 8.2087 121.2592 56.6784 38.9797 174.5316 69 P 3.9063 0.0000 0.0000 63.0134 32.0430 178.1177 70 S 4.2553 7.9462 115.9544 61.0076 62.9987 174.7229 71 K 4.5497 7.7610 118.8004 53.4703 34.1307 174.1026 72 P 2.9700 0.0000 0.0000 61.1117 31.8189 174.1586 73 P 4.2340 0.0000 0.0000 62.3756 32.6815 174.8537 74 K 4.3402 8.3865 121.8697 54.6233 34.3713 174.9191 75 V 4.6967 8.0179 126.2017 60.9965 34.6102 174.1852 76 K 5.0081 8.4904 125.6408 54.8718 36.9528 176.2815 77 F 4.8741 9.0179 123.3416 55.5849 41.4382 173.3150 78 P 4.8294 0.0000 0.0000 62.2429 32.4614 176.5461 79 A 4.4036 8.6326 125.8500 54.0713 18.7218 178.1771 80 G 4.1239 8.7432 111.6796 44.8860 0.0000 173.9477 81 F 4.0275 7.9601 121.9328 58.8282 39.6847 173.7671 82 Y 4.6021 8.1157 129.5075 57.0822 38.9342 174.1665 83 H 4.5260 7.9952 123.4243 54.7691 32.8819 172.8560 84 P 4.2580 0.0000 0.0000 65.4731 31.4561 177.4523 85 N 4.6699 8.2534 112.6604 51.9089 38.6955 173.8623 86 V 4.7048 7.3945 118.8794 60.9111 32.9657 175.2935 87 Y 4.4912 8.6164 125.3291 57.2983 38.5027 175.6267 88 P 4.3785 0.0000 0.0000 65.7525 31.5335 178.9538 89 S 4.2142 8.0688 111.2159 59.2721 63.5700 174.9170 90 G 4.5710 8.5350 109.2496 46.1914 0.0000 173.6328 91 T 4.3340 7.9544 117.4432 64.1621 69.4640 173.2631 92 I 4.4029 8.2481 127.6725 60.5416 38.4170 175.5409 93 C 4.4526 8.8099 126.0870 58.3855 28.3251 172.9061 94 L 4.6899 8.0400 125.4162 52.7383 44.9408 177.0824 95 S 4.1246 9.0097 122.3166 61.9265 62.7732 176.3751 96 I 3.9558 7.8361 111.2817 62.3319 37.5602 176.6030 97 L 4.5489 8.0289 120.6898 54.3961 41.9946 175.2264 98 N 4.8741 7.8242 119.1234 51.2712 40.1366 175.1151 99 E 4.1124 8.9040 124.3507 59.0343 29.6834 177.3364 100 D 4.8005 8.0364 116.7595 54.2481 42.8920 176.1691 101 Q 4.2286 8.7408 117.3393 55.9252 29.2422 175.8339 102 D 4.8901 6.0500 120.8666 54.1534 42.4151 176.3730 103 W 4.4654 8.3284 129.1039 56.8577 31.5638 175.4494 104 R 4.1995 6.3795 119.2593 53.6824 31.7671 173.9406 105 P 4.1848 0.0000 0.0000 64.9450 31.3704 177.4894 106 A 4.0036 7.4392 118.6073 53.7239 18.6094 177.7030 107 I 3.8223 6.9051 117.8046 61.7961 37.6462 176.5667 108 T 4.9296 8.5446 117.0241 59.3768 71.9126 175.7285 109 L 3.8699 8.9081 123.2483 58.1145 41.9757 178.9446 110 K 4.1540 8.2727 119.0838 59.8492 32.1964 178.5757 111 Q 4.0301 7.9339 118.2226 58.9069 28.5509 178.9189 112 I 3.7115 7.7960 120.7713 64.6391 37.1469 179.0105 113 V 3.6933 8.0750 113.4749 64.4073 31.2879 178.7187 114 L 4.2240 8.2400 118.9469 57.4306 41.2866 179.7606 115 G 3.5611 8.1042 106.1266 47.6166 0.0000 176.0788 116 V 3.5144 7.7545 119.8359 65.7215 31.7368 177.4788 117 Q 4.1156 8.4114 119.5256 59.5214 28.6901 178.1412 118 D 4.3699 8.1620 118.7676 57.2827 41.0484 178.2934 119 L 4.1963 7.6918 120.6620 57.6642 41.7596 178.5298 120 L 3.0534 6.9553 118.6094 57.3966 41.6054 177.8134 121 D 4.9612 7.5104 114.0527 54.7559 41.7730 176.9690 122 S 4.7305 7.4784 113.1424 56.6096 63.7201 171.7880 123 P 4.3494 0.0000 0.0000 62.1951 32.2305 175.9738 124 N 4.5901 9.6047 121.0267 51.6630 38.6442 174.2950 125 P 3.5405 0.0000 0.0000 65.3818 31.4208 176.8097 126 N 4.5273 8.4578 115.1409 53.5581 38.6606 175.6769 127 S 4.4429 7.5380 114.4654 56.6709 63.5974 173.9806 128 P 4.3311 0.0000 0.0000 62.3456 29.6782 176.4211 129 A 3.7216 8.2163 129.4383 53.6857 19.1918 178.0327 130 Q 4.4310 7.6056 115.8586 53.4884 30.8453 174.7917 131 E 3.9976 8.8540 127.6576 59.4009 29.5662 176.7995 132 P 4.3095 0.0000 0.0000 65.4545 31.4407 178.5174 133 A 3.9240 7.9923 119.0928 54.9735 18.3580 179.3620 134 W 4.0721 8.4432 127.0828 60.4361 30.6750 178.1394 135 R 3.7033 8.3122 118.8593 59.5341 29.5478 178.7855 136 S 4.0599 8.3178 115.0416 61.5288 62.6625 176.2506 137 F 3.2510 8.0322 122.6029 60.9698 38.9629 176.6206 138 S 3.8344 7.3145 111.2377 59.6042 62.4047 174.6612 139 R 4.4285 8.1045 116.9892 55.8475 32.0635 175.5300 140 N 4.9310 8.3906 117.2680 50.6142 39.7001 174.5778 141 K 3.7298 8.1109 123.2175 59.8751 32.5052 176.9161 142 A 3.9627 7.9955 120.2012 55.3993 18.2608 179.1467 143 E 3.8581 8.1003 117.1314 59.3005 29.8414 177.9437 144 Y 4.1648 8.2112 119.6876 61.0701 38.9014 177.8870 145 D 4.2675 8.6607 120.0197 57.2412 40.9868 178.7669 146 K 3.7870 7.7564 119.6233 59.5794 32.1016 179.0505 147 K 3.6811 7.7487 118.6624 59.1104 31.7163 179.6313 148 V 2.9113 7.3068 118.6163 65.5564 31.1520 178.1236 149 L 3.7945 7.6716 118.7772 57.5876 41.4037 179.5331 150 L 3.8896 7.5841 118.7433 57.8641 41.5283 179.3392 151 Q 4.0789 8.0822 119.4157 59.1089 28.6548 178.1951 152 A 4.4473 7.7634 122.7380 54.6002 18.8074 179.4731 153 K 4.3300 7.7264 118.6276 58.9662 31.8856 179.3090 154 Q 3.9171 7.8693 119.2047 58.4538 28.9967 177.0753 155 Y 4.7278 7.7926 116.1037 57.4243 38.5874 175.9937 156 S 4.4176 7.8712 121.2508 58.4650 63.2532 173.6805 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 3 S 8.19 4.49 0.00 4.04 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 4 L 8.33 3.86 0.00 1.79 1.74 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.84 4.35 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.07 0.00 1.79 1.73 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.93 3.96 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 8 R 8.28 4.26 0.00 1.97 2.21 0.00 3.28 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 9 L 8.22 3.96 0.00 1.89 1.73 0.77 -0.81 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 10 Q 8.27 4.13 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 11 E 8.11 4.04 0.00 2.26 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 2.36 2.67 0.00 12 E 8.62 4.08 0.00 2.14 1.95 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 2.57 2.45 0.00 13 R 8.41 4.48 0.00 2.28 2.21 0.00 2.90 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 14 K 7.96 3.97 0.00 1.88 2.06 0.00 1.90 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.50 7.81 15 K 8.40 4.15 0.00 1.95 2.14 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.50 7.81 16 W 8.67 4.32 0.00 3.68 3.34 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 17 R 8.45 4.15 0.00 2.08 2.27 0.00 3.27 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.69 0.00 18 K 7.58 4.20 0.00 1.80 1.90 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 19 D 7.70 4.30 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.91 4.35 0.00 1.40 1.58 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.14 0.00 1.08 1.67 0.00 3.02 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 22 F 8.72 4.25 0.00 3.01 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 23 G 8.19 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 24 F 7.75 5.15 0.00 3.08 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 25 Y 8.18 5.40 0.00 3.12 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 26 A 8.88 5.12 0.61 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 0.00 0.00 27 K 8.57 3.89 0.00 1.62 1.83 0.00 1.26 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.30 7.81 28 P 0.00 4.11 0.00 1.54 1.68 0.00 3.04 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 29 V 8.26 4.01 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 0.74 0.00 0.00 0.95 0.00 0.00 30 K 8.46 4.54 0.00 1.61 1.71 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 31 K 9.03 4.39 0.00 1.86 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.49 7.81 32 A 8.73 3.97 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 33 D 8.09 4.62 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.24 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 0.00 0.00 0.00 35 S 8.02 4.50 0.00 3.92 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 36 M 8.33 4.66 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 37 D 8.83 4.65 0.00 2.69 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 38 L 8.55 4.15 0.00 1.72 1.82 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.37 4.48 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 40 K 8.49 5.09 0.00 1.85 1.77 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 41 W 9.58 5.38 0.00 3.09 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 42 E 9.16 5.21 0.00 1.98 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 2.26 2.26 0.00 43 A 9.24 5.06 1.05 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 0.00 0.00 44 G 7.89 3.61 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 0.00 0.00 0.00 45 I 8.48 4.25 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.89 0.00 0.00 46 P 0.00 4.76 0.00 1.97 1.96 0.00 2.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 47 G 8.81 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 0.00 0.00 0.00 0.00 48 K 8.74 4.43 0.00 1.96 1.85 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.51 7.81 49 E 8.65 4.01 0.00 2.02 1.93 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 2.36 2.38 0.00 50 G 9.21 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 51 T 7.49 4.87 4.69 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 1.36 0.00 0.00 52 N 8.85 4.55 0.00 2.60 2.68 0.00 0.00 6.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.27 4.44 0.00 3.51 3.48 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 54 A 7.72 4.22 1.46 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 55 G 9.27 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.03 4.47 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 0.89 0.00 0.00 58 Y 8.62 4.35 0.00 3.08 2.58 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 59 P 0.00 4.89 0.00 2.18 2.20 0.00 3.38 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 60 I 8.84 4.89 1.44 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.08 0.03 0.00 0.00 61 T 8.47 4.99 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 1.20 0.00 0.00 62 V 8.83 4.48 1.75 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 0.10 0.00 0.00 0.63 0.00 0.00 63 E 8.74 4.92 0.00 1.73 1.72 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 2.16 2.14 0.00 64 Y 8.68 4.47 0.00 2.62 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 65 P 0.00 4.55 0.00 2.37 2.13 0.00 3.67 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 2.21 2.03 0.00 66 N 8.66 4.40 0.00 2.75 2.96 0.00 0.00 6.95 7.66 0.00 0.00 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 E 8.13 4.30 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 68 Y 8.21 4.69 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 3.91 0.00 2.00 1.31 0.00 3.61 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 70 S 7.95 4.26 0.00 4.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.76 4.55 0.00 1.73 1.57 0.00 1.85 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.31 7.81 72 P 0.00 2.97 0.00 1.41 0.49 0.00 3.43 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 73 P 0.00 4.23 0.00 1.17 0.88 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 74 K 8.39 4.34 0.00 1.65 1.49 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.23 7.81 75 V 8.02 4.70 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 0.57 0.00 0.00 0.63 0.00 0.00 76 K 8.49 5.01 0.00 1.61 1.57 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.28 7.81 77 F 9.02 4.87 0.00 2.75 2.39 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 78 P 0.00 4.83 0.00 2.39 2.16 0.00 3.77 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 79 A 8.63 4.40 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 80 G 8.74 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.96 4.03 0.00 3.31 3.08 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 82 Y 8.12 4.60 0.00 2.76 2.72 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 83 H 8.00 4.53 0.00 3.30 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.26 0.00 2.08 2.31 0.00 2.98 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 1.56 2.01 0.00 85 N 8.25 4.67 0.00 2.79 2.87 0.00 0.00 7.07 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.39 4.70 2.29 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 1.13 0.00 0.00 1.15 0.00 0.00 87 Y 8.62 4.49 0.00 3.20 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 88 P 0.00 4.38 0.00 2.26 2.20 0.00 3.86 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 89 S 8.07 4.21 0.00 3.98 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 90 G 8.54 4.57 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 91 T 7.95 4.33 4.45 0.00 0.00 0.00 0.00 0.00 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 92 I 8.25 4.40 1.70 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.39 0.84 0.00 0.00 93 C 8.81 4.45 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.04 4.69 0.00 1.59 1.40 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.01 4.12 0.00 3.92 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 96 I 7.84 3.96 1.98 0.00 0.00 0.90 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 0.90 0.93 0.00 0.00 97 L 8.03 4.55 0.00 1.73 1.59 0.79 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.82 4.87 0.00 2.72 2.78 0.00 0.00 6.88 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 99 E 8.90 4.11 0.00 2.17 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 2.26 2.35 0.00 100 D 8.04 4.80 0.00 2.69 2.75 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 0.00 0.00 0.00 0.00 101 Q 8.74 4.23 0.00 2.28 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 102 D 6.05 4.89 0.00 2.78 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 0.00 103 W 8.33 4.47 0.00 3.50 3.09 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 0.00 104 R 6.38 4.20 0.00 1.67 1.69 0.00 2.88 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.22 0.00 105 P 0.00 4.18 0.00 1.91 2.10 0.00 3.50 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 106 A 7.44 4.00 1.14 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 0.00 0.00 107 I 6.91 3.82 1.18 0.00 0.00 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 1.15 0.20 1.01 0.00 0.00 108 T 8.54 4.93 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 1.26 0.00 0.00 109 L 8.91 3.87 0.00 1.65 1.73 0.50 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.27 4.15 0.00 2.01 1.87 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.48 7.81 111 Q 7.93 4.03 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 112 I 7.80 3.71 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.83 0.80 0.00 0.00 113 V 8.07 3.69 2.43 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 0.77 0.00 0.00 1.06 0.00 0.00 114 L 8.24 4.22 0.00 1.75 1.73 0.87 0.52 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 0.00 115 G 8.10 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.75 3.51 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 0.71 0.00 0.00 0.83 0.00 0.00 117 Q 8.41 4.12 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 118 D 8.16 4.37 0.00 2.90 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 0.00 119 L 7.69 4.20 0.00 1.83 1.69 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 L 6.96 3.05 0.00 1.10 0.13 0.73 0.18 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 0.00 121 D 7.51 4.96 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 0.00 122 S 7.48 4.73 0.00 3.97 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 0.00 123 P 0.00 4.35 0.00 1.43 1.64 0.00 3.53 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 1.02 1.84 0.00 124 N 9.60 4.59 0.00 2.60 2.58 0.00 0.00 7.10 8.34 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 0.00 125 P 0.00 3.54 0.00 2.22 2.43 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 126 N 8.46 4.53 0.00 2.72 2.78 0.00 0.00 6.75 7.17 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 0.00 127 S 7.54 4.44 0.00 3.65 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 1.79 0.85 0.00 3.43 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.46 0.00 129 A 8.22 3.72 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.61 4.43 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 131 E 8.85 4.00 0.00 2.14 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 2.47 2.53 0.00 132 P 0.00 4.31 0.00 2.35 2.20 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 133 A 7.99 3.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.44 4.07 0.00 3.36 3.09 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 0.00 135 R 8.31 3.70 0.00 2.05 2.10 0.00 3.17 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 1.60 1.67 0.00 136 S 8.32 4.06 0.00 4.20 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 0.00 137 F 8.03 3.25 0.00 1.81 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 0.00 138 S 7.31 3.83 0.00 2.72 3.22 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 0.00 139 R 8.10 4.43 0.00 1.73 1.82 0.00 3.29 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 140 N 8.39 4.93 0.00 2.62 2.64 0.00 0.00 6.74 6.74 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 0.00 141 K 8.11 3.73 0.00 1.65 1.72 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.45 7.81 142 A 8.00 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 0.00 143 E 8.10 3.86 0.00 2.11 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 0.00 2.38 2.33 0.00 144 Y 8.21 4.16 0.00 3.21 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 0.00 145 D 8.66 4.27 0.00 2.67 2.68 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 0.00 146 K 7.76 3.79 0.00 1.72 1.92 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.39 7.81 147 K 7.75 3.68 0.00 1.37 0.83 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.06 1.26 7.81 148 V 7.31 2.91 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 -0.60 0.00 0.00 0.10 0.00 0.00 149 L 7.67 3.79 0.00 1.75 1.59 0.85 0.53 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 0.00 150 L 7.58 3.89 0.00 1.69 1.57 0.79 0.62 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 0.00 151 Q 8.08 4.08 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 152 A 7.76 4.45 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 0.00 153 K 7.73 4.33 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 154 Q 7.87 3.92 0.00 1.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.32 0.00 0.00 0.00 0.00 0.00 1.17 1.91 0.00 155 Y 7.79 4.73 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.42 0.00 4.06 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