NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2428 8.2493 123.5816 51.6631 20.7203 176.5856 2 T 4.2908 7.4136 106.1448 58.7433 69.6213 169.2811 3 V 3.5355 8.5401 122.6904 64.7131 32.6807 178.9686 4 N 4.6472 8.0943 114.4505 54.3408 39.1166 175.3447 5 Q 4.4150 7.8321 115.4877 58.1180 30.1761 177.1151 6 L 4.0693 8.1277 121.6684 58.2665 42.0707 179.1973 7 V 3.5676 7.4516 117.6036 64.9170 30.9187 177.8480 8 R 4.1270 7.4927 118.0006 58.7241 29.9868 179.3545 9 K 4.5904 7.5159 115.6811 55.1197 31.8206 175.6091 10 P 4.3348 0.0000 0.0000 65.5763 31.9329 176.3935 11 R 4.4740 7.5480 118.0007 55.9444 34.5343 175.7937 12 A 4.3190 7.8793 119.3763 52.1706 18.9324 176.8553 13 R 4.6150 8.1261 112.3732 55.7725 31.5029 176.6695 14 K 3.8648 8.4509 119.2443 58.3269 32.4587 178.4993 15 V 2.9091 7.6613 105.4319 61.9973 30.4157 173.7525 16 A 4.0482 8.4184 126.9462 54.8334 18.5294 178.7159 17 K 3.9368 7.8761 116.8294 57.1820 32.5137 175.2929 18 S 4.4551 8.7955 117.4805 57.9164 69.0667 173.4034 19 N 3.8098 8.1890 114.9471 54.5658 37.2894 174.1260 20 V 4.3875 7.8394 118.9761 59.0652 31.9738 173.6698 21 P 4.3876 0.0000 0.0000 62.3308 32.8807 176.0765 22 A 3.6854 8.4910 125.0114 52.2336 17.7127 175.9255 23 L 4.5642 7.9039 117.7062 55.6783 46.0309 177.4283 24 E 3.8017 8.4913 117.2317 57.8043 29.8481 174.2350 25 A 4.6737 7.3116 117.5885 52.0019 23.6427 175.3385 26 C 4.9389 7.9631 109.9156 54.6045 33.7427 173.1337 27 P 4.3549 0.0000 0.0000 65.3415 31.6467 176.9444 28 Q 4.3647 7.7540 116.1779 56.2009 29.7190 175.2430 29 K 4.3355 8.2271 120.7126 55.8283 36.5618 174.1548 30 R 4.5057 8.5778 121.9331 55.8573 30.9199 177.5489 31 G 4.0294 8.3709 110.0619 43.3735 0.0000 170.4586 32 V 3.6786 8.0515 116.9088 62.0756 32.7646 176.2970 33 C 4.5083 8.3818 120.6154 59.7641 27.6232 175.9394 34 T 3.3561 7.6031 115.4687 64.6881 68.5095 172.1790 35 R 4.7428 7.0968 118.4812 54.8743 33.7997 173.2373 36 V 4.2414 8.8628 126.8948 61.0719 32.5902 174.8626 37 Y 4.8831 8.9699 123.6248 56.2627 40.1887 176.1360 38 T 4.7010 8.6796 115.9910 61.7411 68.3111 172.3584 39 T 4.5755 7.8572 113.1227 60.2493 70.6622 173.8398 40 T 3.6234 8.7088 118.4065 63.1996 65.2210 169.2564 41 P 4.2930 0.0000 0.0000 62.8474 31.9176 176.1544 42 K 4.6634 8.1120 120.3966 54.8569 36.3293 176.3151 43 K 4.0402 8.6178 119.9709 58.8061 32.0775 176.1823 44 P 4.3047 0.0000 0.0000 62.7683 31.5896 177.2450 45 N 4.7363 8.4564 124.5083 52.9503 36.8392 176.1937 46 S 4.4622 7.6120 115.7652 57.7934 63.2033 174.9968 47 A 4.1128 7.8779 123.0533 53.0708 19.0374 179.6286 48 L 3.6299 8.6226 116.5211 56.7643 41.5477 176.4310 49 R 4.3263 7.8123 118.1347 55.9047 28.0368 179.4980 50 K 4.8251 7.3766 118.0673 56.0087 30.2706 178.5968 51 V 4.1231 8.1799 128.4104 64.4611 33.2428 173.8834 52 C 5.5408 8.6089 118.5969 56.4538 33.3944 173.2839 53 R 5.0766 8.2349 116.6532 55.3622 31.5425 176.0844 54 V 4.3687 8.0704 118.6410 61.4873 34.1338 174.7301 55 R 4.0627 8.6217 129.6324 56.2019 28.8861 175.3743 56 L 4.5828 7.9747 124.1895 52.8866 45.1681 176.8932 57 T 4.0698 8.5640 120.3685 64.1144 67.2380 173.4016 58 N 4.9255 8.6786 121.9466 51.6978 41.2100 174.6130 59 G 4.2717 9.2770 105.3074 45.4572 0.0000 173.1911 60 F 4.9293 7.5425 118.1731 55.6203 42.8007 173.5528 61 E 4.1148 7.6225 123.0807 57.3412 30.0295 176.9426 62 V 4.8557 7.8871 112.1988 60.7902 36.6208 173.2435 63 T 5.2998 8.5281 111.9249 60.8269 72.2206 172.6086 64 S 5.2187 9.1635 117.5706 57.6815 68.0282 173.0074 65 Y 4.7497 8.9753 124.5165 56.1135 40.5564 176.3455 66 I 3.5934 6.9001 115.4349 61.0839 37.8550 177.3793 67 G 4.2290 7.8092 115.2589 45.7867 0.0000 173.7657 68 G 3.9167 7.4482 103.7941 45.0324 0.0000 171.5819 69 E 3.8249 8.0818 116.5140 57.3767 29.5908 174.2463 70 G 3.3793 8.8682 107.6139 44.6811 0.0000 172.4604 71 H 4.0117 8.5095 125.7157 59.7732 30.6145 176.0081 72 N 4.5756 7.7786 116.1127 53.0313 37.4955 176.5515 73 L 4.2564 7.1111 123.6905 54.1925 41.2004 174.9989 74 Q 4.1696 7.6975 122.7654 54.8925 30.2232 176.0739 75 E 3.8764 8.8763 125.9931 59.0263 29.6622 177.0612 76 H 4.5325 8.7266 114.1247 56.7538 29.1658 175.5180 77 S 4.4528 8.2740 115.5657 58.2071 63.2332 173.4794 78 V 4.7749 7.7432 121.5619 60.7014 30.3083 174.0787 79 I 4.0543 7.7321 114.9819 61.9663 39.7840 175.4610 80 L 5.0643 8.1896 120.9302 53.5187 44.1647 176.0591 81 I 4.9018 8.8236 122.9794 59.6720 40.0610 174.9661 82 R 4.9316 8.6178 120.9302 54.3667 33.2368 174.7785 83 G 3.9391 8.6403 107.4871 46.4958 0.0000 172.0099 84 G 3.1996 8.4631 107.1483 44.9043 0.0000 172.3910 85 R 4.0906 7.8008 125.2322 54.6363 29.2546 175.9905 86 V 3.6489 7.9932 125.5946 62.3611 32.1349 177.2764 87 K 3.8036 8.6631 125.6899 59.5125 32.6530 178.4117 88 D 4.2560 7.2458 119.0146 56.6069 40.8323 176.6378 89 L 4.5445 7.3472 117.5305 51.7962 43.5434 174.5946 90 P 4.3666 0.0000 0.0000 63.2777 32.2687 176.6363 91 G 4.2631 8.8442 112.7606 46.4256 0.0000 175.0685 92 V 3.9687 7.4035 117.1563 62.4193 31.9678 175.5406 93 R 4.3647 7.9416 120.3715 55.6636 32.2296 174.5477 94 Y 5.0163 7.4173 114.8762 56.8627 42.9830 173.2225 95 H 5.6873 8.7394 116.7001 53.9557 31.9847 173.5066 96 T 4.9043 8.7331 111.1846 61.5569 70.0661 174.2418 97 V 4.4445 8.7935 121.8226 59.8710 33.4843 175.9343 98 R 4.5931 8.7165 121.2430 55.7136 29.6847 177.1237 99 G 3.6877 8.1633 108.6898 47.9061 0.0000 174.7009 100 A 4.2672 7.7675 122.3065 52.7516 20.3704 177.0909 101 L 3.3791 8.1890 116.9371 56.9312 40.2710 175.4166 102 D 4.7499 8.6045 125.2955 55.7764 40.9789 177.0526 103 C 4.1143 7.8687 118.1946 60.5128 28.0315 173.2497 104 S 3.8368 8.3766 115.2247 57.2490 62.8819 175.0160 105 G 4.3045 8.5213 108.5286 45.5390 0.0000 174.6412 106 V 3.5120 8.6716 121.7575 63.0748 30.9215 172.8515 107 K 4.2045 8.1257 123.1517 55.2472 31.8340 177.9459 108 D 4.5973 8.7720 122.6616 54.7411 39.4178 175.3967 109 R 4.1850 7.4383 120.3911 55.6209 27.5577 176.3833 110 K 3.8594 8.3546 121.8601 59.3801 32.5854 178.8340 111 Q 4.1121 8.0130 116.2155 57.4470 29.0691 176.6095 112 A 4.3052 7.9708 120.4795 53.3325 18.2652 179.1943 113 R 3.4057 7.3615 111.3487 60.0457 29.8403 177.3201 114 S 4.3619 8.2695 114.5948 59.9172 64.6557 176.6096 115 K 3.8766 8.2906 121.8591 59.2952 31.7055 176.4459 116 Y 4.5242 8.3367 111.7353 56.5673 40.0412 175.1876 117 G 3.9265 8.8925 105.2692 46.2897 0.0000 172.9615 118 V 4.5091 8.1152 117.5267 59.2268 35.9399 175.5549 119 K 4.4039 8.2822 121.5441 55.6856 34.0406 176.5535 120 R 4.1623 8.1737 118.6286 54.8456 30.6721 175.6467 121 P 4.4510 0.0000 0.0000 62.4589 31.6254 176.7093 122 K 4.0929 8.3787 116.7265 57.2978 29.8591 177.0938 123 A 4.2372 8.1742 125.0279 52.0827 18.7596 177.4490 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 A 8.25 4.24 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 2 T 7.41 4.29 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 3 V 8.54 3.54 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 0.79 0.00 0.00 0.93 0.00 0.00 4 N 8.09 4.65 0.00 2.66 2.81 0.00 0.00 6.87 7.08 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 5 Q 7.83 4.42 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 6 L 8.13 4.07 0.00 1.81 1.65 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.45 3.57 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 0.85 0.00 0.00 0.92 0.00 0.00 8 R 7.49 4.13 0.00 1.80 2.02 0.00 3.15 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 9 K 7.52 4.59 0.00 1.80 1.80 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.42 7.81 10 P 0.00 4.33 0.00 2.19 2.09 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 11 R 7.55 4.47 0.00 1.70 1.90 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 12 A 7.88 4.32 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.13 4.62 0.00 1.85 1.98 0.00 3.20 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 14 K 8.45 3.86 0.00 1.71 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 15 V 7.66 2.91 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 0.70 0.00 0.00 0.92 0.00 0.00 16 A 8.42 4.05 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 17 K 7.88 3.94 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 18 S 8.80 4.46 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.19 3.81 0.00 2.76 2.77 0.00 0.00 6.74 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 20 V 7.84 4.39 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 0.76 0.00 0.00 0.93 0.00 0.00 21 P 0.00 4.39 0.00 2.18 2.03 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 22 A 8.49 3.69 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 23 L 7.90 4.56 0.00 1.59 1.60 0.94 0.96 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 24 E 8.49 3.80 0.00 2.09 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 2.39 2.35 0.00 25 A 7.31 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 26 C 7.96 4.94 0.00 3.01 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 27 P 0.00 4.35 0.00 2.30 2.31 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 28 Q 7.75 4.36 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 29 K 8.23 4.34 0.00 1.73 1.51 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.21 1.36 7.81 30 R 8.58 4.51 0.00 1.71 1.82 0.00 3.43 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 31 G 8.37 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 32 V 8.05 3.68 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 0.78 0.00 0.00 0.91 0.00 0.00 33 C 8.38 4.51 0.00 3.12 2.92 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 34 T 7.60 3.36 4.30 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 1.18 0.00 0.00 35 R 7.10 4.74 0.00 1.71 1.43 0.00 2.99 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.00 36 V 8.86 4.24 2.01 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 0.73 0.00 0.00 0.95 0.00 0.00 37 Y 8.97 4.88 0.00 2.99 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 38 T 8.68 4.70 4.28 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 1.25 0.00 0.00 39 T 7.86 4.58 4.30 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 1.25 0.00 0.00 40 T 8.71 3.62 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 1.19 0.00 0.00 41 P 0.00 4.29 0.00 2.04 2.01 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 42 K 8.11 4.66 0.00 1.84 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.40 7.81 43 K 8.62 4.04 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 44 P 0.00 4.30 0.00 2.17 2.08 0.00 3.76 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 1.98 1.97 0.00 45 N 8.46 4.74 0.00 2.75 2.85 0.00 0.00 7.22 7.57 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 46 S 7.61 4.46 0.00 3.89 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 47 A 7.88 4.11 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 48 L 8.62 3.63 0.00 1.81 1.82 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.81 4.33 0.00 1.93 2.16 0.00 3.26 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 50 K 7.38 4.83 0.00 1.76 1.87 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.23 7.81 51 V 8.18 4.12 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 1.24 0.00 0.00 1.18 0.00 0.00 52 C 8.61 5.54 0.00 3.31 2.97 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 53 R 8.23 5.08 0.00 2.05 2.22 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 54 V 8.07 4.37 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 0.69 0.00 0.00 0.97 0.00 0.00 55 R 8.62 4.06 0.00 1.80 1.86 0.00 3.28 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 56 L 7.97 4.58 0.00 1.60 1.48 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.56 4.07 4.24 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 0.00 0.00 0.00 1.22 0.00 0.00 58 N 8.68 4.93 0.00 2.69 2.86 0.00 0.00 7.43 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 59 G 9.28 4.27 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 0.00 60 F 7.54 4.93 0.00 2.81 2.88 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 0.00 0.00 0.00 0.00 61 E 7.62 4.11 0.00 1.83 1.80 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 2.04 1.53 0.00 62 V 7.89 4.86 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 1.07 0.00 0.00 1.02 0.00 0.00 63 T 8.53 5.30 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 1.31 0.00 0.00 64 S 9.16 5.22 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.98 4.75 0.00 3.13 2.97 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 66 I 6.90 3.59 1.60 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.29 0.72 0.00 0.00 67 G 7.81 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.45 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 69 E 8.08 3.82 0.00 2.10 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 2.18 2.22 0.00 70 G 8.87 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.51 4.01 0.00 3.12 3.39 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.78 4.58 0.00 2.72 2.74 0.00 0.00 6.92 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.11 4.26 0.00 1.56 1.51 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.70 4.17 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 75 E 8.88 3.88 0.00 1.92 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 2.20 2.27 0.00 76 H 8.73 4.53 0.00 3.18 3.30 0.00 5.71 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 77 S 8.27 4.45 0.00 3.85 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 78 V 7.74 4.77 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 0.80 0.00 0.00 0.92 0.00 0.00 79 I 7.73 4.05 1.88 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 1.35 0.84 0.91 0.00 0.00 80 L 8.19 5.06 0.00 1.76 1.61 0.96 0.80 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 81 I 8.82 4.90 1.83 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 1.23 1.39 0.73 0.00 0.00 82 R 8.62 4.93 0.00 1.87 1.97 0.00 2.81 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 83 G 8.64 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 84 G 8.46 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 0.00 0.00 0.00 85 R 7.80 4.09 0.00 1.68 1.82 0.00 3.33 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 86 V 7.99 3.65 1.83 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 0.86 0.00 0.00 0.87 0.00 0.00 87 K 8.66 3.80 0.00 1.91 2.03 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.39 7.81 88 D 7.25 4.26 0.00 2.61 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 89 L 7.35 4.54 0.00 1.39 1.49 0.97 0.78 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 90 P 0.00 4.37 0.00 2.15 2.03 0.00 3.84 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 1.94 0.00 91 G 8.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.40 3.97 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 1.24 0.00 0.00 1.02 0.00 0.00 93 R 7.94 4.36 0.00 1.27 1.12 0.00 3.27 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 94 Y 7.42 5.02 0.00 2.91 2.92 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 95 H 8.74 5.69 0.00 3.44 3.60 0.00 5.26 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.73 4.90 4.27 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 1.29 0.00 0.00 97 V 8.79 4.44 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 0.85 0.00 0.00 0.98 0.00 0.00 98 R 8.72 4.59 0.00 1.88 2.02 0.00 3.07 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 99 G 8.16 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 0.00 100 A 7.77 4.27 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 0.00 101 L 8.19 3.38 0.00 1.75 1.51 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.60 4.75 0.00 2.63 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 0.00 103 C 7.87 4.11 0.00 2.99 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 0.00 104 S 8.38 3.84 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.52 4.30 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 0.00 106 V 8.67 3.51 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 0.73 0.00 0.00 0.63 0.00 0.00 107 K 8.13 4.20 0.00 1.82 1.73 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 108 D 8.77 4.60 0.00 2.82 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 0.00 109 R 7.44 4.18 0.00 1.82 1.76 0.00 3.10 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 110 K 8.35 3.86 0.00 1.90 1.96 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 111 Q 8.01 4.11 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 112 A 7.97 4.31 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 0.00 113 R 7.36 3.41 0.00 1.93 1.78 0.00 3.24 0.00 0.00 3.41 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 114 S 8.27 4.36 0.00 4.04 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 0.00 115 K 8.29 3.88 0.00 1.76 2.01 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.06 1.38 7.81 116 Y 8.34 4.52 0.00 2.92 2.92 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 0.00 117 G 8.89 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.12 4.51 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 119 K 8.28 4.40 0.00 1.86 1.83 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 120 R 8.17 4.16 0.00 1.83 1.90 0.00 3.22 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 121 P 0.00 4.45 0.00 2.17 2.11 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 122 K 8.38 4.09 0.00 1.77 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 123 A 8.17 4.24 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00