NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4566 8.3044 118.1956 55.1471 32.5594 174.2982 1 V 4.2440 7.9247 118.5989 60.7766 34.3732 173.5113 2 L 4.3932 8.3210 127.3255 53.8347 43.8288 176.6631 3 S 4.5986 8.5707 117.0851 57.4030 65.5657 175.0911 4 E 4.2751 8.7907 122.2644 59.5321 29.2485 178.8929 5 G 3.6557 8.1288 105.2407 47.9011 0.0000 175.3819 6 E 3.9123 7.9611 120.9105 58.9582 29.4223 179.3920 7 W 4.3460 8.0412 118.9963 59.9418 29.0878 178.5782 8 Q 4.1602 8.5985 118.2829 59.0180 28.0086 178.8686 9 L 4.0992 7.8799 119.8116 57.5691 41.6341 179.7824 10 V 3.7041 7.9083 118.2506 66.2451 31.6836 178.2580 11 L 4.3045 8.5957 118.7808 57.4963 40.9744 179.1181 12 H 4.2411 8.4485 119.1339 59.3035 29.9285 177.7153 13 V 3.4874 7.8204 120.9165 64.4045 31.2371 178.1320 14 W 3.9642 8.5486 128.9320 60.0681 30.2711 177.8008 15 A 3.9615 7.8676 120.1705 54.8368 18.0155 179.5509 16 K 3.9398 7.4002 116.9243 59.4916 32.1820 179.5597 17 V 2.8196 7.1131 118.3941 65.8666 31.0096 177.7885 18 E 3.8278 7.6351 116.3305 58.4421 29.2666 178.7042 19 A 4.1897 7.5019 120.4031 53.8788 19.8072 177.5977 20 D 4.6537 7.9145 116.6706 51.9932 42.4907 175.4918 21 V 3.4407 7.9124 122.9998 65.5325 32.0402 176.7419 22 A 4.0488 7.9901 120.1593 55.1067 18.2717 179.7296 23 G 3.6845 8.1547 105.5355 47.7740 0.0000 175.7336 24 H 4.1550 8.2332 119.0385 58.3755 28.6960 178.1302 25 G 3.5821 8.3489 107.8962 47.6697 0.0000 175.4270 26 Q 3.8481 7.9800 121.9029 59.0945 29.1325 177.9507 27 D 4.3210 7.9071 119.7556 57.5502 40.8197 179.1852 28 I 3.6371 7.7672 119.9506 64.4197 37.0568 178.5928 29 L 3.4456 7.7507 119.7623 57.5566 41.2438 179.6954 30 I 3.6608 7.6302 119.8219 64.1445 36.9219 178.3959 31 R 3.7679 7.8246 119.6272 59.1873 29.8127 178.2207 32 L 3.8862 7.7976 120.0925 58.4298 41.7833 179.1102 33 F 4.5561 7.9271 117.7633 60.4271 38.5310 177.9059 34 K 4.0524 8.1841 117.8798 59.4255 32.0624 179.2898 35 S 4.2799 8.1148 114.7182 60.3816 64.2197 174.5143 36 H 4.7047 8.3142 118.5490 51.8491 29.4443 171.7437 37 P 4.5144 0.0000 0.0000 64.5933 31.3150 177.5333 38 E 4.4504 8.4947 117.5403 58.9957 29.4425 179.1565 39 T 3.7860 8.1403 110.9981 64.4656 68.8024 176.3002 40 L 3.7514 7.9947 122.6862 57.8239 41.8212 178.6947 41 E 4.1381 8.1533 118.4017 58.8363 29.1160 178.8840 42 K 4.3664 8.1709 117.3653 56.9956 32.5792 176.8046 43 F 4.5497 8.1152 118.9703 55.5721 38.6760 176.0877 44 D 4.3790 8.5638 126.8615 57.3025 40.8425 178.8161 45 R 3.9316 7.6535 116.6322 57.9428 30.3773 176.9731 46 F 5.0316 7.4620 113.8443 56.5802 40.7730 176.5826 47 K 3.7957 8.1873 122.4127 59.5644 31.8989 177.0386 48 H 4.4925 8.1806 112.0927 56.6719 29.1850 175.4746 49 L 4.0367 7.5321 121.4057 55.1835 41.5870 176.9497 50 K 4.3096 9.2486 123.8785 57.4333 33.3416 177.0177 51 T 4.7434 7.3034 107.6225 58.8128 73.3405 174.2428 52 E 3.9087 8.6400 120.9724 59.2587 29.7368 178.4780 53 A 3.9941 7.9635 120.3854 55.3743 18.2460 179.3388 54 E 3.9510 7.8854 115.6291 59.7100 29.6427 179.2101 55 M 4.1545 8.0215 118.8276 58.3640 31.8085 178.9918 56 K 3.9582 8.3970 117.7346 59.0717 32.2865 178.6537 57 A 4.3867 7.6928 118.9051 52.2772 19.0546 177.2695 58 S 4.1979 7.3855 113.6334 57.7364 62.7324 174.4390 59 E 4.0127 8.8781 129.3948 59.3382 29.4665 178.2351 60 D 4.4943 8.1200 118.6888 57.2517 40.9948 178.2886 61 L 3.2421 7.9574 120.8542 57.7642 41.9751 178.9121 62 K 3.8865 7.8502 119.1205 59.4770 32.1148 178.9687 63 K 4.0568 8.2590 118.8477 59.6683 31.8890 178.8857 64 H 4.4699 8.5784 118.8709 59.1298 29.7813 177.5639 65 G 3.5470 8.3032 107.7904 47.6401 0.0000 175.9082 66 V 3.6063 7.6675 120.1406 66.0827 31.5884 178.2077 67 T 3.8935 7.8792 115.4978 66.6344 68.2379 176.7433 68 V 3.5907 7.9349 120.0771 66.1893 31.5957 178.1876 69 L 4.2093 8.1645 118.7017 58.0089 41.3901 179.7219 70 T 4.0073 8.2702 115.8460 66.4856 68.2546 176.6708 71 A 3.9999 8.0418 122.7542 55.0676 18.4080 179.4737 72 L 3.7384 8.2624 119.2530 58.0362 42.1087 179.3309 73 G 3.3899 8.5828 105.9374 47.7541 0.0000 175.4753 74 A 4.0137 7.7819 122.1641 54.8053 18.6773 179.6158 75 I 3.7845 7.4040 118.3930 64.5545 37.2524 178.6091 76 L 3.9644 7.6955 119.8280 57.7316 41.1968 179.6306 77 K 4.0120 7.6545 116.7201 58.4110 32.2434 178.8345 78 K 3.9500 7.7934 118.4610 56.2162 32.4130 176.7350 79 K 2.0000 8.2749 117.9714 56.4737 29.8302 175.4956 80 G 3.9787 7.9792 106.2028 45.8540 0.0000 174.2589 81 H 4.5387 7.3466 119.0300 55.2227 27.5525 174.9067 82 H 5.4241 7.5221 111.3007 54.4432 29.4042 176.4121 83 E 3.9733 8.6032 120.9683 60.3823 28.6706 178.9017 84 A 4.0134 7.8966 119.8526 54.8792 18.3254 179.0858 85 E 4.0841 8.1572 116.5701 59.2888 29.4862 179.1586 86 L 4.1298 8.2113 120.6713 57.6786 42.1080 178.7927 87 K 3.9237 7.8125 118.6381 59.2254 32.0918 177.4587 88 P 4.3294 0.0000 0.0000 65.6020 31.2649 178.2087 89 L 4.0109 7.5081 116.9126 58.0323 42.0750 178.7913 90 A 4.1849 8.3896 121.1557 55.0866 18.2717 179.3907 91 Q 3.9111 8.2838 118.3685 59.4121 29.1202 178.7284 92 S 4.0018 8.1060 115.3389 61.8136 63.1116 176.0795 93 H 4.1827 8.5960 119.3570 57.6751 28.6933 177.5590 94 A 2.8016 7.9379 122.7687 54.4893 18.4917 179.4591 95 T 3.7095 7.4572 112.4591 65.5291 68.9950 176.3756 96 K 4.0286 7.4699 120.0544 59.0766 32.7580 177.3958 97 H 4.2502 8.0131 115.2477 56.3095 29.4254 175.5334 98 K 3.2125 6.7739 115.6549 56.9269 28.9451 175.2621 99 I 4.3214 8.1201 119.0691 58.5746 38.5637 174.9044 100 P 4.5930 0.0000 0.0000 62.2589 32.1429 177.3540 101 I 3.6694 8.4504 120.8018 64.5699 36.9199 178.2663 102 K 3.6050 7.9960 119.8662 60.0081 31.8548 178.2251 103 Y 4.1011 7.9266 116.5480 60.8620 37.8660 178.3215 104 L 4.2438 7.8513 119.6378 57.5362 41.7737 179.1308 105 E 4.0664 8.0590 118.9732 59.3083 29.4756 179.1704 106 F 4.4975 7.8780 117.8366 60.8468 38.9715 177.6152 107 I 3.8900 8.0951 118.0913 63.8871 37.7661 178.1259 108 S 4.2000 8.1442 116.1002 61.5367 62.6748 176.1625 109 E 4.0352 8.4591 121.8610 59.2573 29.3936 178.7700 110 A 4.0530 8.0287 120.7501 55.0299 18.4141 179.7555 111 I 3.6992 8.0350 118.4632 64.6602 37.2346 178.7119 112 I 3.8331 7.9417 120.6660 64.5645 36.9187 177.9608 113 H 4.1197 8.4238 119.0945 59.3591 29.6472 177.5606 114 V 3.5619 7.8703 120.0044 65.9495 31.2652 178.0108 115 L 3.7785 7.8390 118.8121 57.7904 41.0382 178.9392 116 H 4.3247 7.8403 117.3788 59.3903 29.8921 177.3208 117 S 4.1715 7.7598 115.9163 61.6149 62.8191 176.4481 118 R 4.0735 7.9712 119.2537 57.5314 31.2143 176.4460 119 H 5.0147 8.2996 115.8203 53.6483 29.6017 172.8137 120 P 4.2976 0.0000 0.0000 65.9816 31.5018 179.3062 121 G 3.6881 8.1533 106.2417 47.3774 0.0000 173.6384 122 N 5.0416 8.2325 115.4009 52.9513 39.5509 174.7321 123 F 4.9355 7.8845 119.0715 56.4542 39.6284 174.3497 124 G 3.8990 7.6920 108.8575 43.8358 0.0000 172.0040 125 A 3.8951 8.4563 120.7127 55.4962 18.2594 179.6769 126 D 4.1978 7.9671 116.4284 57.4483 40.9451 178.7475 127 A 3.9221 7.7487 120.7794 55.1237 18.3630 179.3300 128 Q 3.1287 7.7627 118.3037 58.7301 29.0170 178.5900 129 G 3.4994 8.0422 106.6777 47.7023 0.0000 175.5473 130 A 3.8654 7.9475 123.3909 54.9598 18.3504 179.4424 131 M 3.9975 8.1702 116.8198 58.7394 32.2854 177.9222 132 N 4.3148 8.5387 117.7098 56.6033 39.1247 176.7697 133 K 3.8507 8.1551 120.8241 59.2953 32.2639 178.6984 134 A 3.8398 7.8871 121.1328 55.1802 18.2379 179.6709 135 L 4.1419 8.1669 117.4946 57.7359 41.5900 179.5740 136 E 3.9836 8.5208 119.1060 59.0782 29.3160 178.9993 137 L 3.9382 8.0808 120.4334 58.0816 42.2269 178.5530 138 F 4.1593 8.3017 120.5239 61.6942 39.2092 177.3469 139 R 3.5234 8.2580 117.5705 58.8862 29.8017 179.0213 140 K 3.8376 8.2460 119.6970 59.6877 32.3434 178.7163 141 D 4.3547 8.2240 119.2338 57.1757 40.6223 178.9012 142 I 3.4245 7.4961 120.3115 64.0301 37.0193 178.1831 143 A 3.8067 7.9060 121.6932 55.0942 18.2640 179.5872 144 A 3.9607 7.9059 119.2480 55.1799 18.3900 180.0915 145 K 4.0138 7.9027 116.8609 59.6196 32.0249 179.0396 146 Y 4.4169 8.4425 117.5981 61.1571 37.8463 178.7357 147 K 3.9327 8.1301 120.2299 59.7766 32.1155 178.6806 148 E 4.0405 7.9019 116.9073 59.1533 29.4610 178.6355 149 L 4.3544 7.9673 116.8669 55.1899 41.9443 177.7388 150 G 3.9364 8.0198 107.3761 45.6562 0.0000 172.7992 151 Y 4.3728 8.4006 118.8597 58.8156 40.3922 177.1832 152 Q 3.6110 8.1970 116.6084 56.4713 27.9194 173.7821 153 G 2.7114 5.5339 109.8771 44.8495 0.0000 174.2178 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.92 4.24 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 0.89 0.00 0.00 0.96 0.00 0.00 2 L 8.32 4.39 0.00 0.93 0.79 0.62 -0.28 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 3 S 8.57 4.60 0.00 4.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.79 4.28 0.00 2.19 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 2.43 2.52 0.00 5 G 8.13 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.96 3.91 0.00 1.85 1.70 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 2.20 2.25 0.00 7 W 8.04 4.35 0.00 3.60 3.20 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 8 Q 8.60 4.16 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 9 L 7.88 4.10 0.00 1.83 1.74 0.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.91 3.70 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 1.17 0.00 0.00 0.92 0.00 0.00 11 L 8.60 4.30 0.00 1.83 1.82 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.45 4.24 0.00 3.43 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.49 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 1.06 0.00 0.00 0.89 0.00 0.00 14 W 8.55 3.96 0.00 3.64 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 15 A 7.87 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 16 K 7.40 3.94 0.00 1.36 1.68 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.46 7.81 17 V 7.11 2.82 0.98 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 -0.08 0.00 0.00 0.44 0.00 0.00 18 E 7.64 3.83 0.00 1.97 1.90 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 2.16 2.03 0.00 19 A 7.50 4.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.91 4.65 0.00 2.70 2.51 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 21 V 7.91 3.44 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 1.06 0.00 0.00 0.82 0.00 0.00 22 A 7.99 4.05 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 23 G 8.15 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 H 8.23 4.16 0.00 3.24 3.23 0.00 5.82 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 25 G 8.35 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 0.00 0.00 0.00 26 Q 7.98 3.85 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 7.91 4.32 0.00 2.81 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 28 I 7.77 3.64 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 1.51 0.63 0.88 0.00 0.00 29 L 7.75 3.45 0.00 1.40 1.04 0.78 0.36 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 30 I 7.63 3.66 1.87 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 1.39 0.71 0.88 0.00 0.00 31 R 7.82 3.77 0.00 1.94 2.10 0.00 3.01 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 32 L 7.80 3.89 0.00 1.71 1.37 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.93 4.56 0.00 3.03 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 34 K 8.18 4.05 0.00 1.73 1.83 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.64 7.81 35 S 8.11 4.28 0.00 3.77 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 36 H 8.31 4.70 0.00 2.93 2.84 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.51 0.00 2.16 2.12 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 38 E 8.49 4.45 0.00 2.30 2.30 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 2.32 2.41 0.00 39 T 8.14 3.79 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 0.89 0.00 0.00 40 L 7.99 3.75 0.00 1.48 1.78 -0.04 0.70 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 41 E 8.15 4.14 0.00 2.31 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 2.37 2.40 0.00 42 K 8.17 4.37 0.00 1.89 1.68 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.74 1.93 7.81 43 F 8.12 4.55 0.00 3.28 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 44 D 8.56 4.38 0.00 2.59 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 45 R 7.65 3.93 0.00 0.89 1.27 0.00 3.01 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 46 F 7.46 5.03 0.00 2.85 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 47 K 8.19 3.80 0.00 2.01 1.91 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.44 7.81 48 H 8.18 4.49 0.00 3.33 3.41 0.00 5.59 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 49 L 7.53 4.04 0.00 1.53 1.58 0.82 0.65 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 50 K 9.25 4.31 0.00 1.70 1.84 0.00 1.65 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 1.40 1.53 7.81 51 T 7.30 4.74 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 1.20 0.00 0.00 52 E 8.64 3.91 0.00 2.04 1.97 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 2.35 2.36 0.00 53 A 7.96 3.99 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 54 E 7.89 3.95 0.00 2.13 2.00 0.00 0.00 0.00 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 2.34 0.00 55 M 8.02 4.15 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 56 K 8.40 3.96 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.53 7.81 57 A 7.69 4.39 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 58 S 7.39 4.20 0.00 3.81 3.83 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 0.00 0.00 0.00 59 E 8.88 4.01 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 60 D 8.12 4.49 0.00 3.06 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 61 L 7.96 3.24 0.00 1.13 1.56 0.79 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.85 3.89 0.00 1.85 1.93 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.26 4.06 0.00 2.08 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.78 7.81 64 H 8.58 4.47 0.00 3.67 3.58 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.30 3.55 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 66 V 7.67 3.61 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.88 3.89 4.47 0.00 0.00 0.00 0.00 0.00 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 68 V 7.93 3.59 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 1.16 0.00 0.00 0.94 0.00 0.00 69 L 8.16 4.21 0.00 1.79 1.87 0.91 0.83 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 70 T 8.27 4.01 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 1.26 0.00 0.00 71 A 8.04 4.00 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 72 L 8.26 3.74 0.00 1.61 1.62 0.27 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.58 3.39 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 0.00 74 A 7.78 4.01 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 75 I 7.40 3.78 1.85 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 1.54 0.93 0.89 0.00 0.00 76 L 7.70 3.96 0.00 1.22 1.55 -0.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 4.01 0.00 1.67 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.53 7.81 78 K 7.79 3.95 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.76 7.81 79 K 8.27 2.00 0.00 1.26 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.37 0.82 7.81 80 G 7.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.35 4.54 0.00 3.16 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.52 5.42 0.00 3.31 3.46 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 3.97 0.00 2.20 2.30 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 2.39 2.36 0.00 84 A 7.90 4.01 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 85 E 8.16 4.08 0.00 2.24 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 2.40 2.44 0.00 86 L 8.21 4.13 0.00 2.03 1.67 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.81 3.92 0.00 2.00 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.66 7.81 88 P 0.00 4.33 0.00 2.30 2.34 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.51 4.01 0.00 1.90 1.93 1.00 1.20 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 90 A 8.39 4.18 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 91 Q 8.28 3.91 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.11 4.00 0.00 3.99 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 93 H 8.60 4.18 0.00 3.57 3.60 0.00 5.80 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 94 A 7.94 2.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.46 3.71 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 1.12 0.00 0.00 96 K 7.47 4.03 0.00 1.53 1.60 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.35 7.81 97 H 8.01 4.25 0.00 3.01 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.77 3.21 0.00 1.83 1.76 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.14 7.81 99 I 8.12 4.32 2.10 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 1.54 0.98 1.15 0.00 0.00 100 P 0.00 4.59 0.00 1.97 2.00 0.00 3.25 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.21 0.00 101 I 8.45 3.67 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.72 0.83 0.00 0.00 102 K 8.00 3.61 0.00 1.72 1.63 0.00 1.39 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.47 0.81 7.81 103 Y 7.93 4.10 0.00 3.23 3.07 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 0.00 104 L 7.85 4.24 0.00 1.86 1.79 0.73 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.06 4.07 0.00 2.12 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 2.34 2.45 0.00 106 F 7.88 4.50 0.00 3.22 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 0.00 107 I 8.10 3.89 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 1.09 0.00 0.00 108 S 8.14 4.20 0.00 4.24 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 0.00 109 E 8.46 4.04 0.00 2.18 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 0.00 2.38 2.41 0.00 110 A 8.03 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.04 3.70 2.10 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 1.61 0.94 1.04 0.00 0.00 112 I 7.94 3.83 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.00 1.15 0.00 0.00 113 H 8.42 4.12 0.00 3.37 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.87 3.56 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 1.00 0.00 0.00 0.96 0.00 0.00 115 L 7.84 3.78 0.00 0.39 0.62 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.84 4.32 0.00 3.44 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.76 4.17 0.00 3.92 3.83 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 0.00 0.00 0.00 118 R 7.97 4.07 0.00 1.61 1.62 0.00 3.12 0.00 0.00 2.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 119 H 8.30 5.01 0.00 3.18 3.20 0.00 5.64 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 0.00 120 P 0.00 4.30 0.00 2.20 2.27 0.00 3.74 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 2.07 1.95 0.00 121 G 8.15 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 0.00 122 N 8.23 5.04 0.00 2.80 2.92 0.00 0.00 6.66 7.48 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 0.00 123 F 7.88 4.94 0.00 2.94 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 0.00 124 G 7.69 3.90 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 0.00 125 A 8.46 3.90 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 0.00 126 D 7.97 4.20 0.00 2.64 2.67 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 0.00 127 A 7.75 3.92 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 0.00 128 Q 7.76 3.13 0.00 1.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 129 G 8.04 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.87 1.27 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 0.00 0.00 131 M 8.17 4.00 0.00 2.48 2.37 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.54 4.31 0.00 2.91 2.93 0.00 0.00 6.87 6.73 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 0.00 133 K 8.16 3.85 0.00 1.92 1.73 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.89 3.84 1.27 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 0.00 0.00 135 L 8.17 4.14 0.00 1.77 1.82 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.52 3.98 0.00 2.15 2.00 0.00 0.00 0.00 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 2.63 0.00 137 L 8.08 3.94 0.00 1.88 1.97 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.30 4.16 0.00 3.12 3.27 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 0.00 139 R 8.26 3.52 0.00 1.97 1.86 0.00 3.18 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 140 K 8.25 3.84 0.00 1.86 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.22 4.35 0.00 2.68 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 0.00 142 I 7.50 3.42 1.19 0.00 0.00 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 0.80 -0.33 0.02 0.00 0.00 143 A 7.91 3.81 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 0.00 144 A 7.91 3.96 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 0.00 145 K 7.90 4.01 0.00 2.11 1.93 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.44 4.42 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.13 3.93 0.00 1.87 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.90 4.04 0.00 2.20 2.02 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 2.36 2.53 0.00 149 L 7.97 4.35 0.00 1.80 1.72 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.02 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 0.00 151 Y 8.40 4.37 0.00 2.75 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 0.00 152 Q 8.20 3.61 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 153 G 5.53 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00