NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4058 8.3644 120.4897 53.2370 43.1235 174.6607 2 V 3.8789 6.9016 119.5657 59.9698 33.2341 172.9256 3 Q 4.7205 9.1087 129.4678 54.2673 33.1136 173.4996 4 L 5.2287 8.4773 124.0524 52.9794 46.7087 174.9716 5 Q 4.9796 8.8558 120.2215 54.4607 32.0317 173.6910 6 A 5.3234 8.3206 126.4879 50.7917 23.2001 175.0057 7 S 4.4803 9.0342 114.5271 58.1161 68.4505 177.0257 8 G 4.0482 9.2759 108.1779 45.2340 0.0000 174.1214 9 G 3.7483 7.1843 106.6615 45.9371 0.0000 173.6522 10 G 4.2944 8.3064 108.6345 44.8169 0.0000 170.3315 11 L 5.0612 8.5144 119.6907 53.3998 43.2816 176.5644 12 V 4.5622 8.3169 117.3837 59.5870 35.6694 174.5060 13 Q 5.6461 8.1590 118.3347 52.8321 32.2374 172.8486 14 P 4.3794 0.0000 0.0000 64.0011 30.6812 175.2296 15 G 4.0386 8.5419 111.3472 45.2626 0.0000 172.7839 16 G 4.1377 8.2672 115.0137 44.7000 0.0000 174.5748 17 S 5.3231 8.0932 116.9267 58.1129 65.6870 174.2883 18 L 4.6556 8.4345 125.2496 53.1275 45.3890 174.7477 19 R 4.8199 8.7001 126.6356 55.1956 30.8698 175.2547 20 V 4.5695 8.0806 120.1515 59.7130 34.8238 175.2337 21 S 5.2540 8.6040 116.1861 57.3270 67.3188 172.2971 22 C 5.1386 8.9244 119.9013 55.1739 43.0280 172.8181 23 A 4.7875 8.8635 130.0081 51.2806 18.9817 176.6507 24 A 4.6693 8.1451 123.3132 52.1485 20.9422 177.2710 25 S 4.1309 7.3204 115.1985 59.8512 65.4521 175.6191 26 G 4.7690 7.8805 127.0700 46.6462 0.0000 170.5654 27 F 4.7109 6.5135 112.5642 56.2834 40.1442 172.8879 28 T 4.9981 8.7667 115.6376 62.2669 71.2682 175.4493 29 F 4.3168 9.3942 124.0981 60.8244 39.4771 177.2321 30 S 4.8342 8.2774 114.2047 58.3164 62.9912 175.1508 31 S 4.5690 8.4407 114.6370 59.8070 67.9156 173.4839 32 Y 4.3018 7.8520 116.1024 56.0352 40.1903 174.5755 33 H 4.7360 8.3143 119.0009 55.6887 30.6231 174.4101 34 M 5.4931 8.3751 120.7940 54.0752 37.0339 173.7078 35 A 5.1467 8.8107 120.2498 51.2004 23.8262 175.3112 36 W 4.9498 9.5822 119.6462 55.4265 31.4397 176.2797 37 V 4.9859 9.1391 118.8410 60.1216 34.3387 174.9232 38 R 4.5539 8.7639 121.0681 54.9488 34.1445 174.0247 39 Q 4.5905 8.9637 125.1861 54.4948 31.7922 174.2129 40 A 4.4969 8.8094 128.3919 50.8274 19.9668 174.2142 41 P 4.0361 0.0000 0.0000 63.7155 30.7963 176.2614 42 G 3.8273 8.6222 117.9522 41.9748 0.0000 175.0481 43 K 3.5109 8.7139 123.6867 57.5650 33.2537 175.2253 44 G 4.0637 8.2531 106.1663 45.0727 0.0000 169.1884 45 L 4.0126 8.3824 126.8780 53.9717 43.2115 173.0103 46 E 4.7297 8.8440 124.6319 54.2053 33.4686 173.9257 47 W 4.6160 9.0518 135.0000 57.6050 30.7770 175.8462 48 V 3.6171 8.9389 128.8789 65.4113 31.9170 175.8870 49 S 4.3499 7.4277 114.5337 56.8750 67.7681 172.5775 50 T 5.2738 9.0430 116.4964 60.6197 70.6341 172.2698 51 I 4.8379 8.6132 128.1830 59.2359 41.0177 173.2879 52 N 5.3008 8.2141 126.3528 51.0970 40.5956 172.5965 53 P 4.5287 0.0000 0.0000 63.5424 33.9952 173.1315 54 G 4.1174 9.5638 110.9292 44.8785 0.0000 174.4439 55 D 4.3303 9.2218 119.3223 57.6406 41.7821 176.0880 56 G 3.3232 7.7902 106.9682 44.8044 0.0000 173.2679 57 S 4.0712 8.2193 118.2040 59.4396 63.6554 173.3788 58 T 4.8648 8.1650 114.8871 60.0946 71.0609 173.5202 59 Y 5.1975 8.7765 120.3904 56.8440 42.7413 173.9380 60 Y 4.6292 8.8971 118.7464 55.4008 42.8949 175.4430 61 A 4.0199 8.0143 118.9696 52.7599 18.1333 177.8291 62 D 4.8939 8.5614 123.0517 56.2803 41.3101 175.8985 63 S 4.7077 7.8710 109.2508 58.5850 62.2131 174.6748 64 V 4.5082 7.7683 108.3881 60.6494 34.9562 176.7031 65 K 2.9591 8.3967 122.0350 58.7161 31.9630 177.5612 66 G 3.9223 7.7810 104.3898 45.2269 0.0000 172.8446 67 R 4.1799 7.7355 118.4292 56.8330 31.7498 175.5672 68 F 5.8510 7.8495 116.3227 55.4820 41.9895 174.7779 69 T 4.7871 8.5402 116.9896 62.0156 71.4073 172.7130 70 I 4.9975 8.7398 128.0075 59.8238 39.0884 174.8388 71 S 5.0711 9.2630 124.7005 57.6465 68.0225 172.7520 72 R 4.9959 8.3911 116.3280 55.9449 31.9929 173.1615 73 D 4.8898 7.7932 119.2582 52.7526 42.3923 176.0787 74 N 4.6465 9.1940 120.2616 53.6047 39.2158 175.9336 75 A 4.7395 7.3967 118.7873 50.2534 20.8986 175.3101 76 K 4.2417 8.1822 120.5669 55.0238 38.5744 174.2733 77 N 4.3609 8.0086 116.2128 53.5307 35.1227 172.6190 78 T 4.7537 5.7900 107.3558 60.2907 72.9827 173.8772 79 L 5.0434 8.6609 125.8501 53.9078 44.6568 174.8712 80 Y 5.4368 9.3927 124.4025 56.7342 41.2858 174.6910 81 L 5.6929 8.6290 122.1649 53.7323 46.3398 174.1942 82 Q 4.7360 8.7603 126.7198 55.0572 31.1345 174.1803 83 M 4.9324 9.1011 128.4764 54.0574 31.9680 174.9181 84 N 5.2569 7.8930 118.8231 49.4559 40.6381 174.4108 85 S 3.5819 8.2499 112.5744 59.6673 60.1100 172.5250 86 L 4.2004 7.3997 118.7251 55.2250 42.6629 178.2439 87 K 4.3490 8.4175 116.4679 55.9194 32.2294 176.7274 88 S 3.8228 8.2898 111.4396 60.3766 60.9084 172.5181 89 E 4.3840 7.8152 122.3965 57.9243 30.2329 177.6480 90 D 4.8342 8.1440 116.0658 56.7090 41.3690 175.7339 91 T 4.1749 7.3814 114.5002 64.4839 67.4124 172.8223 92 A 4.4094 8.3244 128.1479 51.8104 25.0223 173.7215 93 V 5.2690 7.6396 114.8918 60.9737 34.0162 175.6680 94 Y 5.0338 8.4448 124.7373 56.7006 40.8729 174.1608 95 Y 5.4134 9.2106 119.1004 56.6025 43.0981 171.4556 96 C 5.1085 8.4130 114.1958 53.7097 45.9793 172.7592 97 A 4.2456 8.2512 121.9983 50.3317 22.8441 174.8155 98 K 4.7221 7.1613 120.2549 55.9023 33.5645 175.3383 99 Y 4.0942 8.4465 128.0069 56.2141 39.4466 176.2675 100 S 4.5478 8.0903 122.6175 56.3222 63.8725 170.6696 101 G 3.5967 6.8026 112.4132 44.0368 0.0000 173.5995 102 G 3.8932 7.3905 106.8202 45.5954 0.0000 172.3959 103 A 4.3742 6.8371 121.0158 50.1500 22.3084 175.7632 104 L 4.3224 7.9685 119.1516 53.5160 43.4426 176.6829 105 D 4.2262 8.0716 120.2137 53.7360 41.8844 173.4012 106 A 3.2125 7.1984 128.1654 51.5192 16.9899 176.5935 107 W 4.9435 7.7759 119.9232 56.5101 30.7904 176.2019 108 G 4.6586 7.8833 108.0241 45.1095 0.0000 174.3421 109 Q 3.9939 8.7554 117.8317 60.0882 28.8124 175.7747 110 G 3.2327 6.8744 108.6511 44.7724 0.0000 172.2560 111 T 4.1839 8.3943 123.0566 60.8874 68.8242 173.4492 112 Q 4.4013 8.7809 130.9180 55.5686 29.9410 173.8806 113 V 4.4446 8.7079 127.5633 61.4159 33.9559 174.6564 114 T 5.0975 8.6593 122.9796 61.7949 73.1951 172.8587 115 V 4.8659 8.4417 123.7040 61.4697 34.2555 174.5826 116 S 4.7292 9.1472 121.4936 57.3153 66.5530 172.2522 117 S 4.8759 8.1849 115.0486 57.8555 66.4370 174.1097 118 Q 3.4447 8.7299 120.5270 57.7220 25.9580 174.0569 119 S 4.7234 7.5169 106.7795 57.7871 63.0991 173.3333 120 E 4.4745 8.0323 116.4493 56.3026 29.9665 177.2790 121 Q 4.2669 7.7228 118.4096 56.2955 29.2517 176.1456 122 K 4.3564 8.5074 115.4729 56.0849 37.2534 172.2924 123 L 3.5478 8.1716 126.6454 54.5918 40.3048 172.4392 124 I 4.2925 7.9603 120.8430 62.4405 39.8109 177.1067 125 S 3.7479 7.9865 112.9822 59.0286 60.1962 173.0161 126 E 4.3927 8.4269 113.7738 56.2359 31.1985 171.0070 127 E 3.6395 8.5248 124.4136 55.3091 28.8524 173.7708 128 D 4.4356 8.7501 126.3893 54.1981 40.5780 178.2868 129 L 3.3733 7.2538 118.3749 55.6245 40.5881 172.7964 130 N 5.0739 8.5498 117.0273 55.3383 45.2530 177.2784 131 H 4.7446 7.7933 110.2301 55.8159 28.6621 173.5504 132 H 4.6006 8.5463 115.3007 56.8930 28.7447 174.9132 133 H 4.7589 7.5151 115.0805 55.4492 32.3793 173.0657 134 H 4.8646 8.1657 118.3150 54.7702 29.3699 172.8006 135 H 4.1757 8.4329 125.0140 57.3938 30.6806 174.1113 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 1 D 8.36 4.41 0.00 2.45 2.62 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 0.00 0.00 0.00 0.00 2 V 6.90 3.88 1.51 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 0.84 0.00 0.00 0.78 0.00 0.00 3 Q 9.11 4.72 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 4 L 8.48 5.23 0.00 1.46 1.52 0.99 0.82 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 5 Q 8.86 4.98 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 6 A 8.32 5.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 9.03 4.48 0.00 3.77 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 8 G 9.28 4.05 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 0.00 9 G 7.18 3.75 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 0.00 0.00 0.00 10 G 8.31 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 0.00 0.00 0.00 0.00 11 L 8.51 5.06 0.00 1.51 1.60 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.32 4.56 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 0.79 0.00 0.00 0.91 0.00 0.00 13 Q 8.16 5.65 0.00 1.95 1.95 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 2.35 2.26 0.00 14 P 0.00 4.38 0.00 1.91 2.04 0.00 3.64 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 2.02 2.11 0.00 15 G 8.54 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.27 4.14 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 0.00 17 S 8.09 5.32 0.00 3.80 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 18 L 8.43 4.66 0.00 1.63 1.39 0.87 0.77 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 R 8.70 4.82 0.00 1.85 1.85 0.00 3.28 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 20 V 8.08 4.57 1.77 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 0.41 0.00 0.00 -0.12 0.00 0.00 21 S 8.60 5.25 0.00 2.93 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 22 C 8.92 5.14 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.86 4.79 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 24 A 8.15 4.67 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.32 4.13 0.00 3.63 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.88 4.77 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 0.00 0.00 0.00 27 F 6.51 4.71 0.00 2.29 2.40 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 28 T 8.77 5.00 4.49 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 1.39 0.00 0.00 29 F 9.39 4.32 0.00 3.36 3.29 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 30 S 8.28 4.83 0.00 4.09 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 0.00 31 S 8.44 4.57 0.00 3.89 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 0.00 32 Y 7.85 4.30 0.00 2.09 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 0.00 0.00 0.00 33 H 8.31 4.74 0.00 3.17 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.38 5.49 0.00 1.76 1.88 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.64 0.00 35 A 8.81 5.15 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 36 W 9.58 4.95 0.00 3.27 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 37 V 9.14 4.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.15 0.00 0.00 38 R 8.76 4.55 0.00 0.67 1.03 0.00 2.98 0.00 0.00 2.84 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.00 39 Q 8.96 4.59 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 40 A 8.81 4.50 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 41 P 0.00 4.04 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 42 G 8.62 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 0.00 0.00 0.00 43 K 8.71 3.51 0.00 2.01 1.74 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.43 7.81 44 G 8.25 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.38 4.01 0.00 1.74 1.66 1.21 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.84 4.73 0.00 2.09 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 0.00 2.21 2.32 0.00 47 W 9.05 4.62 0.00 3.40 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 48 V 8.94 3.62 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.83 0.00 0.00 49 S 7.43 4.35 0.00 3.61 2.63 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 50 T 9.04 5.27 4.71 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 1.16 0.00 0.00 51 I 8.61 4.84 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 1.24 1.39 1.09 0.00 0.00 52 N 8.21 5.30 0.00 3.02 2.98 0.00 0.00 7.31 7.61 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 53 P 0.00 4.53 0.00 2.18 2.31 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 54 G 9.56 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 55 D 9.22 4.33 0.00 2.68 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 56 G 7.79 3.32 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 57 S 8.22 4.07 0.00 3.83 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 58 T 8.17 4.86 4.50 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 1.36 0.00 0.00 59 Y 8.78 5.20 0.00 3.28 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 60 Y 8.90 4.63 0.00 2.83 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 61 A 8.01 4.02 1.18 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 0.00 0.00 0.00 62 D 8.56 4.89 0.00 3.08 2.86 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 63 S 7.87 4.71 0.00 3.90 3.86 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 64 V 7.77 4.51 2.46 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 0.99 0.00 0.00 1.05 0.00 0.00 65 K 8.40 2.96 0.00 1.61 1.71 0.00 1.36 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.10 7.81 66 G 7.78 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.74 4.18 0.00 1.74 1.75 0.00 2.94 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.97 0.00 68 F 7.85 5.85 0.00 3.09 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 69 T 8.54 4.79 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 1.31 0.00 0.00 70 I 8.74 5.00 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.26 0.84 0.00 0.00 71 S 9.26 5.07 0.00 3.87 3.75 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 72 R 8.39 5.00 0.00 1.69 2.08 0.00 3.50 0.00 0.00 3.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 73 D 7.79 4.89 0.00 2.48 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 74 N 9.19 4.65 0.00 2.78 2.91 0.00 0.00 7.09 7.40 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 75 A 7.40 4.74 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.18 4.24 0.00 1.88 1.73 0.00 1.96 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.40 7.81 77 N 8.01 4.36 0.00 3.01 2.86 0.00 0.00 7.02 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 78 T 5.79 4.75 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 1.09 0.00 0.00 79 L 8.66 5.04 0.00 2.15 1.45 1.34 0.80 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 80 Y 9.39 5.44 0.00 3.03 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 81 L 8.63 5.69 0.00 0.77 0.39 0.98 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.76 4.74 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 83 M 9.10 4.93 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.29 0.00 84 N 7.89 5.26 0.00 2.61 2.69 0.00 0.00 6.96 7.52 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 85 S 8.25 3.58 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.40 4.20 0.00 1.67 1.58 0.94 0.99 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 87 K 8.42 4.35 0.00 1.87 1.90 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.42 7.81 88 S 8.29 3.82 0.00 4.06 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 89 E 7.82 4.38 0.00 2.07 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 2.32 2.41 0.00 90 D 8.14 4.83 0.00 2.96 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 91 T 7.38 4.17 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 1.28 0.00 0.00 92 A 8.32 4.41 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.64 5.27 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 0.72 0.00 0.00 1.01 0.00 0.00 94 Y 8.44 5.03 0.00 2.80 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 95 Y 9.21 5.41 0.00 2.84 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 96 C 8.41 5.11 0.00 2.28 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 0.00 0.00 0.00 97 A 8.25 4.25 0.49 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 98 K 7.16 4.72 0.00 2.06 2.08 0.00 2.03 0.00 0.00 1.79 0.00 0.00 2.29 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.54 7.81 99 Y 8.45 4.09 0.00 2.87 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 0.00 100 S 8.09 4.55 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 6.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.39 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 0.00 103 A 6.84 4.37 1.02 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 0.00 0.00 104 L 7.97 4.32 0.00 1.61 1.45 1.03 0.89 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 D 8.07 4.23 0.00 2.48 2.81 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 0.00 106 A 7.20 3.21 1.03 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 0.00 107 W 7.78 4.94 0.00 3.47 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 0.00 108 G 7.88 4.66 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 0.00 109 Q 8.76 3.99 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 110 G 6.87 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.39 4.18 4.39 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 1.33 0.00 0.00 112 Q 8.78 4.40 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 113 V 8.71 4.44 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.72 0.00 0.00 114 T 8.66 5.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 115 V 8.44 4.87 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 0.72 0.00 0.00 0.95 0.00 0.00 116 S 9.15 4.73 0.00 3.86 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 0.00 117 S 8.18 4.88 0.00 3.84 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 0.00 118 Q 8.73 3.44 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.48 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 119 S 7.52 4.72 0.00 3.77 3.74 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 0.00 120 E 8.03 4.47 0.00 1.99 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 2.25 2.31 0.00 121 Q 7.72 4.27 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 122 K 8.51 4.36 0.00 1.81 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.45 7.81 123 L 8.17 3.55 0.00 1.82 1.76 0.92 0.73 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 0.00 124 I 7.96 4.29 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.91 0.00 0.00 125 S 7.99 3.75 0.00 4.03 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 0.00 126 E 8.43 4.39 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 127 E 8.52 3.64 0.00 2.12 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 2.18 2.27 0.00 128 D 8.75 4.44 0.00 2.80 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 0.00 129 L 7.25 3.37 0.00 1.87 1.62 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.55 5.07 0.00 2.53 2.52 0.00 0.00 6.00 7.74 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 0.00 131 H 7.79 4.74 0.00 3.24 3.33 0.00 5.77 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.55 4.60 0.00 3.16 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 7.52 4.76 0.00 3.07 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.17 4.86 0.00 3.22 3.34 0.00 5.68 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 0.00 135 H 8.43 4.18 0.00 3.23 3.28 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00