NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3557 8.3349 115.4108 57.8778 65.1235 173.5729 4 I 4.1034 7.6573 122.1116 60.0496 37.8029 174.0394 5 N 4.9801 9.9093 126.4015 51.4249 42.2304 173.1261 6 L 4.8655 8.6063 123.8923 52.9653 44.0386 175.7067 7 N 4.7668 8.6622 122.4217 51.3864 39.2478 173.7574 8 P 4.6292 0.0000 0.0000 65.0015 31.6592 176.8048 9 Q 4.5431 7.8968 118.4837 55.4681 29.5369 177.4178 10 F 4.0866 8.0934 117.1046 60.2570 37.5888 176.2938 11 D 4.1223 6.2010 117.7994 56.7730 41.0598 177.8311 12 Q 3.8722 7.5911 119.6338 59.0546 29.1544 178.0469 13 I 3.6402 7.8034 121.0006 64.2438 37.0508 178.6277 14 G 3.5623 7.9809 106.3161 47.9358 0.0000 175.9069 15 K 4.0690 8.1114 121.6331 59.0167 31.9204 179.3580 16 Q 4.0261 8.1886 120.0286 58.8399 28.9080 177.9617 17 F 3.9440 8.3165 121.8706 61.1736 39.4957 177.0618 18 V 3.5449 8.2367 118.3289 66.1315 31.4031 177.5406 19 Q 4.0492 7.9754 118.5427 59.6847 28.8973 177.9430 20 H 4.0271 7.9165 118.7990 59.2411 29.7631 176.3422 21 Y 3.5811 7.9530 121.6194 61.0744 38.5963 177.9958 22 Y 3.9582 7.9225 117.1494 60.5347 38.0203 178.2003 23 Q 4.0229 7.9975 120.7000 59.4349 29.1853 178.2001 24 T 3.7495 7.8154 116.8806 66.3863 68.1689 176.3999 25 F 3.7251 7.9048 121.8894 61.4149 39.4668 176.8998 26 Q 4.5331 8.3026 116.4856 57.8625 28.7247 177.3418 27 T 4.6166 7.3809 107.8758 61.3246 72.0287 174.1984 28 N 4.7546 8.5357 117.5789 51.1795 41.3461 174.2405 29 R 3.4613 7.9634 122.5048 58.9244 30.7331 176.2869 30 P 4.2135 0.0000 0.0000 65.6987 31.4008 178.1832 31 A 4.0733 7.9252 118.7237 54.2991 18.1709 179.4465 32 L 3.8221 8.0358 118.5376 57.5728 41.0942 179.6725 33 G 3.9807 8.0688 105.4650 47.3785 0.0000 175.0885 34 G 3.9549 7.8121 104.9327 45.6086 0.0000 174.5417 35 L 4.5205 8.1452 120.9198 54.1542 42.2378 175.5916 36 Y 5.1271 7.3130 115.7461 56.1708 40.6936 174.6286 37 G 4.3492 8.8169 110.9208 42.7444 0.0000 172.5730 38 P 4.3178 0.0000 0.0000 65.1142 31.1567 177.6245 39 Q 4.5419 7.9159 115.0120 55.5026 29.6047 175.5796 40 S 4.0396 7.5974 115.0101 58.8492 64.5153 173.1171 41 M 5.3004 8.7652 120.1273 53.6732 36.6102 174.1056 42 L 5.4232 9.0584 124.3062 53.6615 45.6758 175.0237 43 T 5.1174 9.4908 123.4965 61.8698 70.8521 173.3096 44 W 4.9038 9.7884 135.0000 55.4365 32.2632 175.2448 45 E 3.9321 9.2614 129.4511 57.5589 26.5976 175.4143 46 D 4.8365 8.0780 116.0787 54.5124 40.5739 174.9230 47 T 4.4416 7.6031 116.0884 62.0252 70.1980 173.7384 48 Q 4.9548 8.3448 127.2668 54.7532 31.1421 174.5449 49 F 4.7044 9.3300 123.5745 55.8215 42.5013 173.7068 50 Q 4.6428 9.0426 123.0488 55.2991 30.4461 176.5574 51 G 4.3151 9.2555 110.7288 45.6927 0.0000 173.9850 52 Q 3.9448 8.8442 121.5607 58.9849 28.9780 178.9077 53 A 3.9415 7.9330 121.0088 55.4471 18.5688 179.1534 54 N 4.2762 8.1171 114.3408 56.5145 38.6212 177.6460 55 I 3.2177 7.6506 121.1852 64.0513 37.1242 178.5764 56 V 3.5618 7.8454 119.2976 66.2157 31.1493 177.8724 57 N 4.2122 7.8489 114.8244 55.8543 38.5927 177.1697 58 K 3.4780 7.2825 121.0611 59.1912 32.1237 178.8906 59 F 3.8162 7.1658 117.8882 60.6267 38.6292 177.4581 60 N 4.3289 7.9033 114.0418 55.5349 38.3144 176.8425 61 S 4.1511 7.3301 113.8911 60.4092 62.5481 175.3071 62 L 3.5007 6.8998 120.8849 55.5879 41.5540 176.9079 63 N 4.0422 7.7521 114.2686 54.2734 37.3388 173.9039 64 F 4.7799 7.6637 114.3676 57.2717 39.9738 176.0554 65 Q 4.2161 9.6085 126.4830 58.6183 29.5007 175.9234 66 R 4.8551 7.8528 116.1397 55.1359 33.7131 174.3215 67 V 4.5864 8.2867 124.4883 60.4667 34.1911 173.8641 68 Q 4.8789 8.7684 124.6750 53.8699 31.5802 174.5797 69 F 5.2903 9.1280 122.4067 55.7622 41.9415 175.3509 70 E 4.6206 9.3809 121.5963 54.6216 32.5664 174.8036 71 I 4.3982 8.4724 126.3257 61.1334 37.4497 176.1713 72 T 4.4948 8.3988 116.4756 61.9746 70.8905 174.6039 73 R 4.6301 7.4682 121.6458 55.0723 33.7544 173.7251 74 V 5.0099 8.2604 124.8027 61.5123 34.7082 173.7894 75 D 5.0780 9.3713 127.0767 52.8208 44.4290 174.5949 76 C 5.6878 8.9569 119.4125 58.3766 32.3232 173.2641 77 Q 4.3024 8.8060 118.6029 53.4690 33.2523 172.5892 78 P 4.7832 0.0000 0.0000 62.6034 32.4783 176.5369 79 S 4.4467 8.4539 118.4869 56.8595 64.3000 172.7230 80 P 4.6039 0.0000 0.0000 63.5007 31.1884 176.6170 81 N 5.0291 7.4285 115.3059 53.3192 39.0106 174.0370 82 N 4.3659 8.6808 113.8265 54.5797 38.9931 174.0289 83 G 4.6282 7.8241 104.9755 45.0923 0.0000 172.3750 84 S 5.1168 8.7389 115.3075 56.9240 66.6905 174.2472 85 I 4.7742 9.0532 128.2942 60.1106 38.7373 174.6599 86 V 4.8671 9.2462 128.2594 61.0161 34.0663 173.9233 87 F 5.6707 9.5025 131.0371 56.8302 41.3337 174.0892 88 V 4.9347 9.2190 126.7734 61.6116 34.7705 174.1511 89 T 4.2538 8.0345 119.2582 60.7530 71.2300 173.6851 90 G 4.0083 6.5457 112.6909 45.8782 0.0000 171.4874 91 D 5.8302 8.4273 120.1704 52.6209 44.8098 175.8642 92 V 4.6990 9.0652 120.7068 60.1132 35.3656 174.0911 93 R 4.7646 8.6926 122.6056 54.4703 33.0394 174.4959 94 I 4.2809 8.1842 124.7207 60.0557 39.4557 175.7440 95 D 4.4285 9.7384 127.4403 55.5523 38.9690 173.4104 96 D 4.3945 8.2299 112.7863 55.4111 38.4641 175.0588 97 G 3.9737 7.7282 110.0953 44.4292 0.0000 174.1773 98 Q 4.1016 8.3696 117.4034 55.0219 29.2468 173.9503 99 P 4.4688 0.0000 0.0000 63.2914 31.7853 175.5509 100 L 4.7772 9.1195 124.9206 52.9442 44.8300 175.6130 101 K 5.0541 8.4089 120.3105 55.5559 34.2204 175.7435 102 F 5.2230 8.6426 117.6491 55.6343 41.9929 173.3883 103 S 4.8719 8.8608 114.7766 57.0368 67.4432 173.0434 104 Q 5.0069 9.5307 123.7593 54.5941 33.1307 173.4090 105 V 4.9615 8.9204 125.2787 61.1228 34.5583 174.1638 106 F 5.4855 9.5062 126.0627 55.7130 42.8352 173.5778 107 N 5.3024 9.2737 122.1323 52.0426 40.7960 172.8462 108 L 4.9470 9.0653 127.7958 53.8098 43.4094 176.0043 109 M 5.1570 8.8772 123.2502 52.5316 35.5844 173.8819 110 P 3.9476 0.0000 0.0000 62.7465 31.9401 177.0820 111 S 4.2198 8.3576 117.5945 59.0448 63.5221 174.6662 112 G 4.1041 8.1469 108.8461 45.2986 0.0000 173.7349 113 N 4.8264 7.8477 117.1773 52.4178 37.6706 176.8368 114 G 3.8157 8.3361 108.0247 46.5093 0.0000 174.1009 115 G 4.1158 7.0989 106.4612 45.0035 0.0000 172.5664 116 F 5.4571 8.6335 116.7534 55.8647 43.0363 174.2605 117 M 5.0768 9.1869 118.4139 53.6131 35.2456 174.0470 118 I 4.4970 8.5553 121.1602 60.6894 37.7829 175.5124 119 F 4.5955 9.5648 130.0947 59.3410 41.3867 175.2123 120 N 5.4509 8.3265 115.4515 51.3633 42.2246 173.2920 121 D 5.2092 9.2992 122.6933 52.8321 44.9867 173.8057 122 L 5.3300 8.8939 126.2965 52.9685 44.9503 175.2896 123 F 5.2574 9.5671 126.9449 56.3510 42.2584 174.1880 124 R 4.7099 7.8649 125.3346 54.6498 33.5857 173.6938 125 L 4.4177 8.7190 127.0947 54.3948 42.6975 176.7828 126 N 4.5463 8.8330 120.3630 53.4206 38.2652 175.0897 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 8.33 4.36 0.00 3.98 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 4 I 7.66 4.10 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.89 0.00 0.00 5 N 9.91 4.98 0.00 2.66 2.69 0.00 0.00 6.47 7.36 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 6 L 8.61 4.87 0.00 1.52 1.55 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.66 4.77 0.00 2.89 2.82 0.00 0.00 6.96 7.71 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 P 0.00 4.63 0.00 2.27 2.24 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 9 Q 7.90 4.54 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 10 F 8.09 4.09 0.00 3.21 3.45 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 11 D 6.20 4.12 0.00 1.77 2.25 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 12 Q 7.59 3.87 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 I 7.80 3.64 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 -0.07 0.00 0.00 14 G 7.98 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 15 K 8.11 4.07 0.00 1.91 1.89 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.53 7.81 16 Q 8.19 4.03 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 17 F 8.32 3.94 0.00 3.25 3.10 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 18 V 8.24 3.54 2.37 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 1.32 0.00 0.00 1.14 0.00 0.00 19 Q 7.98 4.05 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 20 H 7.92 4.03 0.00 3.09 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.95 3.58 0.00 2.41 2.53 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 22 Y 7.92 3.96 0.00 3.10 2.82 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 0.00 0.00 0.00 23 Q 8.00 4.02 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 24 T 7.82 3.75 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 25 F 7.90 3.73 0.00 2.87 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 26 Q 8.30 4.53 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.90 3.01 0.00 27 T 7.38 4.62 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 1.28 0.00 0.00 28 N 8.54 4.75 0.00 2.66 2.59 0.00 0.00 6.99 7.62 0.00 0.00 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 R 7.96 3.46 0.00 1.69 1.57 0.00 3.16 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 30 P 0.00 4.21 0.00 2.07 2.04 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 31 A 7.93 4.07 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 32 L 8.04 3.82 0.00 1.06 1.13 -1.04 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.07 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 34 G 7.81 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.15 4.52 0.00 1.56 1.67 0.90 0.84 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 36 Y 7.31 5.13 0.00 3.03 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 G 8.82 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 38 P 0.00 4.32 0.00 2.27 2.37 0.00 3.76 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 2.15 2.05 0.00 39 Q 7.92 4.54 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 40 S 7.60 4.04 0.00 4.06 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 41 M 8.77 5.30 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 42 L 9.06 5.42 0.00 1.69 1.44 1.44 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.49 5.12 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 44 W 9.79 4.90 0.00 3.52 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 45 E 9.26 3.93 0.00 2.28 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 2.09 2.45 0.00 46 D 8.08 4.84 0.00 2.89 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 47 T 7.60 4.44 4.36 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 0.69 0.00 0.00 48 Q 8.34 4.95 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 49 F 9.33 4.70 0.00 2.81 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 50 Q 9.04 4.64 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.46 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 51 G 9.26 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 52 Q 8.84 3.94 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 53 A 7.93 3.94 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 N 8.12 4.28 0.00 3.09 3.04 0.00 0.00 7.04 7.37 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 55 I 7.65 3.22 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.08 0.00 0.00 56 V 7.85 3.56 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 0.98 0.00 0.00 0.97 0.00 0.00 57 N 7.85 4.21 0.00 2.75 2.74 0.00 0.00 7.04 7.11 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 58 K 7.28 3.48 0.00 0.79 0.82 0.00 0.89 0.00 0.00 0.78 0.00 0.00 2.82 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.34 7.81 59 F 7.17 3.82 0.00 2.97 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 60 N 7.90 4.33 0.00 2.65 2.77 0.00 0.00 7.05 7.19 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 61 S 7.33 4.15 0.00 3.85 3.71 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 62 L 6.90 3.50 0.00 0.99 0.13 0.34 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.75 4.04 0.00 2.81 2.75 0.00 0.00 7.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.66 4.78 0.00 3.17 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 65 Q 9.61 4.22 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 66 R 7.85 4.86 0.00 1.90 1.68 0.00 3.20 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 67 V 8.29 4.59 1.91 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 1.04 0.00 0.00 0.28 0.00 0.00 68 Q 8.77 4.88 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 69 F 9.13 5.29 0.00 2.92 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 70 E 9.38 4.62 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 71 I 8.47 4.40 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.94 0.00 0.00 72 T 8.40 4.49 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 1.16 0.00 0.00 73 R 7.47 4.63 0.00 1.80 1.56 0.00 3.12 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 74 V 8.26 5.01 2.13 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 0.97 0.00 0.00 1.02 0.00 0.00 75 D 9.37 5.08 0.00 2.71 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 76 C 8.96 5.69 0.00 3.20 3.06 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 77 Q 8.81 4.30 0.00 1.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 78 P 0.00 4.78 0.00 1.90 1.85 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.00 79 S 8.45 4.45 0.00 4.05 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 80 P 0.00 4.60 0.00 2.21 2.28 0.00 3.61 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 2.03 1.95 0.00 81 N 7.43 5.03 0.00 2.76 2.79 0.00 0.00 6.84 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.68 4.37 0.00 2.83 2.92 0.00 0.00 6.78 7.59 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 83 G 7.82 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.74 5.12 0.00 3.75 3.47 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 0.00 85 I 9.05 4.77 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.91 0.00 0.00 86 V 9.25 4.87 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.94 0.00 0.00 87 F 9.50 5.67 0.00 3.03 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 88 V 9.22 4.93 2.47 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 1.13 0.00 0.00 1.36 0.00 0.00 89 T 8.03 4.25 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 0.92 0.00 0.00 90 G 6.55 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 91 D 8.43 5.83 0.00 2.58 2.55 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 92 V 9.07 4.70 1.69 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 0.83 0.00 0.00 -0.10 0.00 0.00 93 R 8.69 4.76 0.00 1.61 1.75 0.00 3.06 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 94 I 8.18 4.28 1.69 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.32 0.50 0.00 0.00 95 D 9.74 4.43 0.00 2.73 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 96 D 8.23 4.39 0.00 2.82 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 97 G 7.73 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 0.00 0.00 0.00 98 Q 8.37 4.10 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 99 P 0.00 4.47 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 100 L 9.12 4.78 0.00 1.59 1.62 0.93 0.82 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 0.00 101 K 8.41 5.05 0.00 1.63 1.62 0.00 1.56 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.32 7.81 102 F 8.64 5.22 0.00 2.75 3.06 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 0.00 103 S 8.86 4.87 0.00 3.65 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 0.00 104 Q 9.53 5.01 0.00 2.54 2.24 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 1.32 2.50 0.00 105 V 8.92 4.96 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 0.87 0.00 0.00 0.86 0.00 0.00 106 F 9.51 5.49 0.00 2.93 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 0.00 107 N 9.27 5.30 0.00 2.93 2.94 0.00 0.00 6.90 6.24 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 0.00 108 L 9.07 4.95 0.00 1.33 1.27 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 109 M 8.88 5.16 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 110 P 0.00 3.95 0.00 1.93 1.70 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.37 0.00 111 S 8.36 4.22 0.00 3.90 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 0.00 112 G 8.15 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 0.00 0.00 0.00 113 N 7.85 4.83 0.00 2.87 2.97 0.00 0.00 6.82 7.11 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 0.00 114 G 8.34 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.10 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 0.00 116 F 8.63 5.46 0.00 2.92 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 0.00 117 M 9.19 5.08 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 118 I 8.56 4.50 1.38 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 1.27 0.00 0.00 119 F 9.56 4.60 0.00 3.22 3.15 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 0.00 120 N 8.33 5.45 0.00 2.78 2.76 0.00 0.00 6.49 8.08 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 0.00 121 D 9.30 5.21 0.00 3.17 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 0.00 122 L 8.89 5.33 0.00 1.65 1.55 0.94 0.60 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 0.00 123 F 9.57 5.26 0.00 3.24 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 0.00 124 R 7.86 4.71 0.00 1.73 1.52 0.00 3.08 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 125 L 8.72 4.42 0.00 1.68 1.57 1.04 1.47 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 0.00 126 N 8.83 4.55 0.00 2.49 2.66 0.00 0.00 6.87 7.50 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