NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2727 8.3144 119.9990 56.3443 32.9321 173.8601 2 E 3.8653 8.1816 127.3025 55.1283 30.6789 175.7994 3 T 4.2514 8.7081 118.1349 61.1969 72.1660 175.0925 4 A 4.0697 8.5894 123.8531 55.4059 18.4204 180.0726 5 A 4.1292 8.0038 118.5809 55.3366 18.4937 179.5953 6 A 4.0238 8.2099 119.3771 55.1331 18.3621 179.7872 7 K 4.0350 8.5312 118.7321 59.4726 32.1633 178.8654 8 F 4.0325 8.5519 121.3846 61.3679 39.3802 176.9909 9 E 4.0124 8.4697 118.2668 59.3002 29.0079 179.3659 10 R 3.8533 7.9736 117.9594 59.6498 30.3322 178.3400 11 Q 3.9224 8.0337 116.0913 57.8331 28.4315 176.2332 12 H 4.5946 7.9041 114.1665 53.6866 31.6587 172.9318 13 M 4.6905 7.8682 118.7527 54.1162 33.3230 176.4364 14 D 4.7610 9.1630 123.3789 53.1902 41.9753 175.5111 15 S 4.4486 8.5763 118.1926 59.8070 63.8924 176.1803 16 S 4.2207 8.3235 116.4783 61.4273 62.7552 174.2797 17 T 4.3147 7.8322 109.4107 60.4757 69.4931 174.9406 18 S 4.2519 8.5588 120.1066 59.7345 63.7560 173.3930 19 A 4.3182 6.8185 119.5505 50.0825 22.0963 175.4740 20 A 3.3822 8.1376 122.5838 52.3122 19.6419 178.0555 21 S 4.7088 7.5358 124.9827 57.8027 62.0716 178.4619 22 S 4.3333 8.9548 126.4343 59.0627 62.8450 174.8708 23 S 4.1670 8.5524 114.8232 60.6778 62.4789 174.2583 24 N 4.8560 7.8880 117.0061 53.4987 38.7685 175.8512 25 Y 4.0521 8.2449 122.0629 61.3454 38.6149 177.9875 26 C 4.1231 8.3891 117.0869 59.9081 39.6189 175.8437 27 N 4.4199 8.1286 117.6154 56.4080 38.1265 177.3596 28 Q 3.9105 7.9588 119.2180 59.2471 28.8004 178.6360 29 M 3.9625 7.5901 121.2021 58.0852 31.8321 178.7716 30 M 3.9471 7.9411 118.9464 58.0449 31.9911 178.8832 31 K 3.9976 7.8885 120.1052 59.0472 32.5848 179.0739 32 S 4.1559 8.2504 114.8791 61.2648 62.4371 175.5510 33 R 4.3984 7.9137 119.3025 55.2135 29.9620 175.9022 34 N 4.2630 7.8909 114.6135 54.5845 36.7239 175.1412 35 L 4.3890 8.0412 117.5796 55.7206 42.4659 178.0353 36 T 5.5629 7.4912 108.6443 60.2756 69.2342 175.9153 37 K 4.2560 8.3163 125.3434 59.9892 32.4410 177.6997 38 D 5.2893 7.4119 112.7835 53.7378 41.5307 174.8434 39 R 3.8724 7.4887 117.2608 56.3169 33.2831 174.0489 40 C 4.9453 8.8444 118.9748 55.5570 40.5561 173.7874 41 K 4.1958 8.2489 126.3151 55.8120 32.4881 174.5949 42 P 4.5839 0.0000 0.0000 65.3437 32.2232 176.4380 43 V 5.0349 7.5992 116.3822 61.3513 34.8535 174.0184 44 N 4.7486 9.0681 124.5084 52.6918 42.8417 172.8582 45 T 4.8029 7.9569 121.9704 61.7192 71.3496 173.0345 46 F 4.7222 8.9397 124.7020 55.6373 41.9973 174.6422 47 V 4.3700 9.7519 123.3601 61.1188 33.2248 175.8135 48 H 5.8906 8.6839 129.0196 53.9666 26.2066 173.1956 49 E 4.8054 7.6769 117.9385 53.3736 34.6199 176.4628 50 S 4.3975 8.3358 114.6839 58.2428 65.0969 174.9357 51 L 4.0265 8.5309 124.1922 58.3297 41.8503 179.2509 52 A 4.0196 7.9559 120.4148 55.1944 18.1821 179.2007 53 D 4.3300 8.0424 116.6103 57.4876 41.3062 178.8674 54 V 3.8009 7.8773 118.7630 65.9995 31.6784 178.1938 55 Q 3.9406 8.3843 117.7202 58.6539 28.4926 178.4451 56 A 4.0416 8.0507 121.8168 54.7211 18.3701 179.6333 57 V 3.5260 7.5303 116.4321 65.9296 31.2782 176.9564 58 C 3.9530 7.7357 114.4912 58.0111 39.8814 174.0467 59 S 4.6502 7.6821 114.6069 57.8864 63.7777 174.7389 60 Q 4.6638 7.3966 121.4883 55.9662 30.8205 176.8045 61 K 4.0763 7.4228 129.1749 57.3780 33.1008 176.3432 62 N 4.5151 8.8162 127.5813 53.7357 39.4338 174.2795 63 V 4.5902 8.3273 118.4882 59.2958 36.4048 174.9221 64 A 4.1152 8.3512 124.7681 52.0755 19.1332 178.4865 65 C 4.6870 8.5958 119.6697 56.1093 41.1306 175.3053 66 K 3.6531 8.9064 122.3713 59.3392 31.6853 177.8876 67 N 4.5861 8.0959 113.5980 52.6434 37.6569 175.6806 68 G 3.9345 8.2127 108.8078 45.6824 0.0000 174.1030 69 Q 4.2729 8.4510 119.3194 56.1376 29.3466 176.3393 70 T 4.5304 8.2217 106.2334 61.5687 69.2710 173.3862 71 N 4.9425 7.9185 118.6901 54.2504 38.4098 174.8879 72 C 5.3953 7.7689 115.5667 56.5974 44.6449 172.8824 73 Y 5.1711 8.9705 118.8121 56.3569 42.1131 173.8924 74 Q 5.1371 9.0890 124.9900 54.1051 31.3951 174.9103 75 S 4.3441 8.6329 121.6167 58.5986 63.2410 174.2629 76 Y 4.3803 9.5698 121.7893 60.4493 37.8879 176.3342 77 S 5.0572 7.8526 112.6035 56.5343 65.6886 174.2392 78 T 4.2388 8.2606 110.5811 61.8597 69.8698 173.5603 79 M 5.0381 9.0790 121.8053 53.4249 37.0736 174.5793 80 S 4.9175 9.4093 116.8207 58.0887 63.4976 173.0736 81 I 5.1455 9.1263 120.6484 59.4448 41.6099 174.3712 82 T 5.0747 8.7861 119.4816 62.0585 71.8127 172.7538 83 D 4.9598 9.5420 127.7090 53.4196 43.0306 174.9541 84 C 5.5858 9.2796 121.3092 55.2571 41.1798 173.0576 85 R 5.3782 8.6461 120.6590 53.9262 32.0913 174.9884 86 E 4.2248 9.0268 123.8476 56.5337 30.2583 176.2369 87 T 4.3744 8.3647 116.7444 60.2897 70.6039 176.1612 88 G 3.6335 8.7722 112.4051 48.7028 0.0000 174.0228 89 S 4.4862 7.8030 113.5253 58.7176 63.4648 173.6039 90 S 4.6464 7.5659 115.7517 57.1528 64.3910 173.1348 91 K 4.5416 8.3544 125.3483 54.8597 35.2998 175.0993 92 Y 4.2773 8.8124 124.5338 57.8114 39.0290 174.3483 93 P 3.5966 0.0000 0.0000 62.5735 31.6611 176.7349 94 N 4.6613 7.9450 119.7806 52.3804 36.9845 173.6887 95 C 4.4004 7.7952 116.5166 56.6255 41.8568 173.3735 96 A 5.0349 8.9701 125.1467 50.3629 21.8676 174.6291 97 Y 5.2661 9.2364 118.5862 56.0508 42.3001 174.8782 98 K 4.5183 9.5583 124.8169 55.7372 34.0332 175.3074 99 T 5.0381 8.5305 123.6561 62.7409 70.4722 174.6803 100 T 4.4950 8.7255 122.1129 62.2008 72.4168 172.7511 101 Q 4.7240 8.7583 128.3049 55.6968 30.2167 174.5110 102 A 4.6410 9.0797 126.6701 51.2677 23.7560 174.6812 103 N 5.9310 8.5591 115.3353 50.7953 41.2836 174.2255 104 K 4.7296 8.3032 121.9299 54.8758 37.7023 175.2109 105 H 4.8560 9.5144 118.9173 55.6991 29.9756 175.1527 106 I 4.8165 8.4841 115.3522 59.3377 40.8523 174.4525 107 I 4.8278 8.2105 124.0745 59.7498 40.0644 175.1458 108 V 4.7590 8.5557 119.5861 59.3238 35.7124 174.3623 109 A 5.1921 8.6842 124.2254 50.6586 21.1560 175.4279 110 C 5.1712 8.7621 118.7602 55.4060 37.9646 173.2560 111 E 4.7309 8.5411 119.2812 56.4750 34.2468 175.8534 112 G 4.1957 9.6417 108.4899 44.9963 0.0000 171.8884 113 N 4.9672 8.1735 116.0591 50.7818 40.2747 172.2027 114 P 4.3688 0.0000 0.0000 62.6535 32.0172 175.9852 115 Y 4.8212 8.2548 120.8346 56.7917 38.4779 174.5701 116 V 4.4448 8.0688 119.0994 58.2485 36.2774 173.5828 117 P 4.4655 0.0000 0.0000 62.9000 31.1655 176.8700 118 V 4.5220 8.5026 115.0002 61.0592 34.0250 175.2438 119 H 5.0925 7.9250 119.7880 54.6273 33.6203 171.5425 120 F 4.6029 8.6975 127.4955 57.2620 39.6616 174.4812 121 D 4.5844 8.5746 126.9979 55.9695 41.7049 175.7493 122 A 4.7074 6.7842 117.2151 51.4213 22.6647 174.2979 123 S 5.1161 8.7069 112.7354 56.8851 66.4740 174.7570 124 V 4.1547 8.8992 114.5467 61.7951 32.6974 175.2057 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 K 8.31 4.27 0.00 1.89 1.94 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 2 E 8.18 3.87 0.00 2.04 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 0.00 2.32 2.38 0.00 3 T 8.71 4.25 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 1.23 0.00 0.00 4 A 8.59 4.07 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 5 A 8.00 4.13 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 6 A 8.21 4.02 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 7 K 8.53 4.04 0.00 1.98 2.08 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.45 7.81 8 F 8.55 4.03 0.00 3.26 3.30 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 9 E 8.47 4.01 0.00 2.23 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 2.53 2.75 0.00 10 R 7.97 3.85 0.00 1.80 2.11 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 11 Q 8.03 3.92 0.00 1.53 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.58 0.00 12 H 7.90 4.59 0.00 1.99 2.75 0.00 5.61 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 M 7.87 4.69 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 14 D 9.16 4.76 0.00 2.77 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 15 S 8.58 4.45 0.00 3.94 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 16 S 8.32 4.22 0.00 4.02 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 17 T 7.83 4.31 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 1.43 0.00 0.00 18 S 8.56 4.25 0.00 3.98 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 A 6.82 4.32 1.13 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 0.00 0.00 20 A 8.14 3.38 1.07 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 0.00 0.00 21 S 7.54 4.71 0.00 3.95 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 22 S 8.95 4.33 0.00 4.02 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 23 S 8.55 4.17 0.00 3.87 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 0.00 24 N 7.89 4.86 0.00 2.78 2.80 0.00 0.00 6.43 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 25 Y 8.24 4.05 0.00 3.11 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 26 C 8.39 4.12 0.00 3.15 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 27 N 8.13 4.42 0.00 2.99 2.90 0.00 0.00 7.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.96 3.91 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 29 M 7.59 3.96 0.00 0.82 1.19 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.53 0.00 30 M 7.94 3.95 0.00 1.59 1.87 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.39 0.00 31 K 7.89 4.00 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.25 4.16 0.00 3.98 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 33 R 7.91 4.40 0.00 1.85 2.10 0.00 3.59 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 34 N 7.89 4.26 0.00 2.87 2.92 0.00 0.00 6.89 7.15 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 35 L 8.04 4.39 0.00 1.74 1.63 0.75 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.49 5.56 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 1.46 0.00 0.00 37 K 8.32 4.26 0.00 1.90 1.93 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.40 7.81 38 D 7.41 5.29 0.00 2.71 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 39 R 7.49 3.87 0.00 1.76 1.77 0.00 3.02 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.21 0.00 40 C 8.84 4.95 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.25 4.20 0.00 1.93 1.77 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.42 7.81 42 P 0.00 4.58 0.00 2.15 2.12 0.00 3.63 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 2.14 2.12 0.00 43 V 7.60 5.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 44 N 9.07 4.75 0.00 2.63 2.27 0.00 0.00 6.91 6.83 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 45 T 7.96 4.80 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 0.90 0.00 0.00 46 F 8.94 4.72 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 9.75 4.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.11 0.00 0.00 48 H 8.68 5.89 0.00 3.11 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.81 0.00 1.95 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 2.26 2.27 0.00 50 S 8.34 4.40 0.00 4.07 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 51 L 8.53 4.03 0.00 1.83 1.75 1.01 0.93 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 52 A 7.96 4.02 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 53 D 8.04 4.33 0.00 2.87 2.78 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 0.00 0.00 0.00 0.00 54 V 7.88 3.80 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.11 0.00 0.00 55 Q 8.38 3.94 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 56 A 8.05 4.04 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 57 V 7.53 3.53 2.12 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 0.99 0.00 0.00 1.01 0.00 0.00 58 C 7.74 3.95 0.00 2.91 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 59 S 7.68 4.65 0.00 3.90 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 60 Q 7.40 4.66 0.00 1.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 61 K 7.42 4.08 0.00 1.65 1.64 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.40 7.81 62 N 8.82 4.52 0.00 2.85 2.69 0.00 0.00 7.00 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 63 V 8.33 4.59 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.81 0.00 0.00 64 A 8.35 4.12 1.19 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 0.00 0.00 65 C 8.60 4.69 0.00 3.16 2.98 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 66 K 8.91 3.65 0.00 1.74 1.89 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 67 N 8.10 4.59 0.00 2.80 2.89 0.00 0.00 6.26 7.00 0.00 0.00 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 8.21 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 69 Q 8.45 4.27 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 70 T 8.22 4.53 4.17 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 1.17 0.00 0.00 71 N 7.92 4.94 0.00 3.10 3.16 0.00 0.00 6.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 7.77 5.40 0.00 2.88 2.83 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 73 Y 8.97 5.17 0.00 2.83 2.78 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 0.00 0.00 0.00 0.00 74 Q 9.09 5.14 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 75 S 8.63 4.34 0.00 3.92 3.84 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 76 Y 9.57 4.38 0.00 3.03 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 77 S 7.85 5.06 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 78 T 8.26 4.24 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 0.97 0.00 0.00 79 M 9.08 5.04 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 80 S 9.41 4.92 0.00 3.91 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 0.00 81 I 9.13 5.15 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 1.01 0.00 0.00 82 T 8.79 5.07 4.42 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 1.36 0.00 0.00 83 D 9.54 4.96 0.00 2.59 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 84 C 9.28 5.59 0.00 2.85 2.85 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 0.00 0.00 0.00 85 R 8.65 5.38 0.00 1.95 2.06 0.00 2.82 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 86 E 9.03 4.22 0.00 2.15 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 2.05 1.73 0.00 87 T 8.36 4.37 4.21 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 1.19 0.00 0.00 88 G 8.77 3.63 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 89 S 7.80 4.49 0.00 3.97 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 90 S 7.57 4.65 0.00 3.66 3.85 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 0.00 0.00 0.00 91 K 8.35 4.54 0.00 2.00 1.85 0.00 1.26 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81 92 Y 8.81 4.28 0.00 3.05 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 93 P 0.00 3.60 0.00 1.77 1.12 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 94 N 7.95 4.66 0.00 2.82 2.76 0.00 0.00 7.03 7.91 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 95 C 7.80 4.40 0.00 3.12 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 96 A 8.97 5.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.24 5.27 0.00 2.85 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 98 K 9.56 4.52 0.00 1.88 1.87 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.51 7.81 99 T 8.53 5.04 4.33 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 1.33 0.00 0.00 100 T 8.73 4.49 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 1.24 0.00 0.00 101 Q 8.76 4.72 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 102 A 9.08 4.64 1.22 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 0.00 0.00 103 N 8.56 5.93 0.00 2.57 2.73 0.00 0.00 7.04 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 0.00 104 K 8.30 4.73 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 105 H 9.51 4.86 0.00 3.10 3.33 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.48 4.82 1.75 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 1.10 0.00 0.00 107 I 8.21 4.83 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.78 0.00 0.00 108 V 8.56 4.76 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 0.62 0.00 0.00 0.82 0.00 0.00 109 A 8.68 5.19 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 0.00 110 C 8.76 5.17 0.00 1.77 1.78 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 0.00 0.00 0.00 0.00 111 E 8.54 4.73 0.00 1.84 1.79 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 2.29 2.27 0.00 112 G 9.64 4.20 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 0.00 113 N 8.17 4.97 0.00 2.65 2.70 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.37 0.00 2.23 2.06 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.25 4.82 0.00 2.83 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 0.00 116 V 8.07 4.44 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 0.62 0.00 0.00 0.85 0.00 0.00 117 P 0.00 4.47 0.00 0.49 1.24 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 118 V 8.50 4.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.96 0.00 0.00 119 H 7.93 5.09 0.00 3.27 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.70 4.60 0.00 2.70 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 0.00 121 D 8.57 4.58 0.00 2.59 2.56 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 0.00 122 A 6.78 4.71 1.19 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 0.00 0.00 123 S 8.71 5.12 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.90 4.15 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 0.94 0.00 0.00