NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7261 8.2133 109.7356 45.3930 0.0000 171.7930 *23 N 4.6419 8.3190 118.8881 52.7877 39.8366 173.6266 24 I 3.8189 8.1848 119.7310 61.7810 37.4934 175.5925 25 E 4.5476 8.5737 124.2529 55.8844 32.3746 176.2850 26 S 3.7808 8.6929 118.3162 59.2073 60.3676 173.2965 27 I 3.6711 7.4640 120.3418 63.9636 38.0835 176.2366 28 E 4.4347 8.1369 119.2873 58.8431 28.9942 178.3835 29 N 4.4942 8.2088 115.9803 54.8719 38.6582 176.0002 30 L 4.5467 7.8353 119.4221 54.5890 42.3181 176.6281 31 Q 4.5288 8.0302 118.1458 55.3394 29.9105 176.5334 32 G 3.9669 8.0043 104.8652 45.0047 0.0000 173.5307 33 I 3.7162 8.0613 122.7065 60.6877 37.8727 175.8490 34 R 3.6870 8.6551 124.9828 57.8756 30.4065 176.0492 35 A 3.8280 8.6346 127.3539 52.9160 16.2723 176.0496 36 L 4.5259 7.8584 121.1776 56.6302 43.2546 176.1525 37 Q 4.4330 9.3209 127.5697 54.5776 32.3839 173.4510 38 Q 4.3713 8.9096 128.6019 56.5451 29.2469 175.6350 39 Q 4.5155 8.8771 123.9753 56.4051 31.2181 174.9954 40 A 4.4566 7.3757 118.4654 50.7955 21.7701 175.0532 41 P 4.3141 0.0000 0.0000 65.2517 31.5043 177.9445 42 Q 4.9945 8.0676 114.2318 54.3733 29.4050 173.9267 43 L 5.1611 8.0174 121.0440 53.4982 45.1193 175.1578 44 L 5.2088 9.2020 126.9878 53.0677 44.5940 175.6974 45 S 5.8617 8.9748 116.5274 56.1719 66.5083 172.9711 46 S 5.1451 7.6755 114.6846 58.7050 66.1506 173.7275 47 G 4.3196 8.3191 107.7622 45.1729 0.0000 172.6027 48 L 4.3478 8.3662 124.0693 53.4124 42.3802 175.9518 49 P 4.2832 0.0000 0.0000 62.2084 31.9344 176.3048 50 N 4.8586 9.1407 120.9341 51.9611 38.3919 175.7603 51 E 4.1965 8.7298 116.9409 58.6378 29.5023 177.9667 52 Q 4.5196 8.4806 116.7160 56.0233 29.1470 176.4507 53 Q 4.4896 8.0800 116.7575 55.7619 29.5998 177.2772 54 F 4.1060 8.0430 120.2362 60.3874 39.0348 177.6310 55 S 4.2444 8.1606 114.5199 61.3334 62.6560 176.4124 56 L 3.9748 7.8950 121.4774 57.7017 41.4077 179.2722 57 L 3.9727 7.6866 118.7509 57.6817 41.5544 179.4421 58 K 3.9484 8.0282 119.3605 59.5978 31.8947 178.5544 59 Q 3.9659 8.0607 118.7633 59.0244 29.0983 177.5222 60 A 4.2517 7.8783 119.2405 52.8501 18.5901 178.0398 61 G 3.9434 7.9723 105.9115 44.6333 0.0000 174.3204 62 V 3.7162 7.5139 120.2768 63.2194 31.9048 175.2008 63 D 4.7969 8.9753 127.2528 55.4575 42.3850 177.3203 64 V 4.6458 7.6158 117.3914 61.0337 35.3425 174.1931 65 V 4.8370 8.9462 127.8008 61.3668 33.8031 174.1261 66 I 4.7815 9.1708 129.6027 59.7698 39.3610 174.0632 67 N 4.8711 8.9980 127.3952 52.0735 40.6023 174.3210 68 L 5.4071 8.3804 128.6084 51.9257 40.8686 173.1959 *70 P 4.6173 0.0000 0.0000 61.9352 32.9243 177.8053 71 D 4.4658 9.4278 123.0595 57.2802 40.8458 178.1120 72 S 4.3541 8.0758 111.8149 59.7463 63.7533 174.7865 73 S 4.3015 8.0453 119.1800 58.1820 63.0816 175.4816 74 K 3.9706 8.6538 123.0686 59.8135 32.2974 177.4760 75 D 4.5194 7.9047 116.4113 54.3864 41.4065 176.5154 76 A 4.1243 7.4967 123.0404 52.0438 18.9373 177.3373 77 H 4.4710 8.3988 118.4776 55.0712 29.5110 174.2821 78 P 4.3791 0.0000 0.0000 65.6888 31.5597 177.0203 79 D 4.5954 7.4054 116.5970 51.7026 42.0803 174.5591 80 E 3.6526 8.1568 124.1479 58.4768 29.9545 177.7954 81 G 2.6018 7.1957 105.3124 47.1749 0.0000 175.2501 82 K 3.7502 7.7883 121.6752 59.2313 32.1651 178.8268 83 L 3.6952 7.0838 119.0286 57.5554 41.1459 179.8246 84 V 3.4277 6.9706 117.3093 66.1406 31.8032 177.9767 85 T 4.0431 7.9858 109.9301 64.9092 68.4697 176.6644 86 Q 3.9944 8.2471 120.0796 58.0159 28.7140 177.4352 87 A 4.4367 7.4461 119.5617 51.4781 19.8499 176.9535 88 G 3.4838 7.8323 105.0868 46.2560 0.0000 173.6236 *90 D 4.5589 7.4122 117.2121 54.2786 43.3104 175.7026 91 Y 5.3139 8.6511 122.0060 55.8901 41.4953 174.8088 92 V 4.2593 8.3416 125.4601 61.0580 34.9925 173.2096 93 Y 4.8610 8.4370 128.4436 56.0428 40.8297 175.4960 94 I 4.4643 8.5218 127.9340 58.2828 38.6075 171.1401 95 P 4.5522 0.0000 0.0000 62.4523 32.1196 176.1866 96 V 4.3391 8.3795 125.1321 60.6702 33.5431 174.5883 97 D 4.5546 8.7422 128.0455 53.5441 41.3649 176.1563 98 W 4.5703 9.2060 135.0000 60.6684 30.7250 176.3624 99 Q 4.3492 8.4313 114.3086 56.0284 28.8977 176.0505 100 N 4.8057 7.8423 115.3570 51.9935 40.3093 172.5208 101 P 4.2799 0.0000 0.0000 62.6601 32.6730 176.6602 102 K 4.5559 8.5126 118.9990 53.7439 35.8679 177.7497 103 V 3.4810 8.2929 121.1147 66.0653 31.3298 178.3024 104 E 3.9019 8.0858 116.8850 59.2651 29.3235 178.8400 105 D 4.3838 7.9675 120.0958 57.2910 40.8617 178.8116 106 V 2.8930 7.4354 118.1896 65.7642 31.4187 177.7334 107 E 3.7612 8.2174 118.3873 59.2237 29.2209 179.1887 108 A 4.0278 8.1758 120.9291 55.0429 18.2067 179.4798 109 F 4.3305 8.2342 118.2506 61.6026 39.6241 177.0450 110 F 4.4921 8.3980 116.4355 60.5937 39.1201 177.1925 111 A 4.2317 8.5934 120.5973 54.8957 17.7429 180.4251 112 A 4.1321 8.0200 117.5088 52.7991 18.1932 179.0739 *114 D 4.3070 8.1069 122.3185 56.0047 42.7878 176.9374 115 Q 4.2441 7.7670 115.4922 57.3174 29.1411 175.6985 116 H 4.9551 7.5896 115.9669 54.7757 30.0468 173.5078 117 K 4.0555 8.2295 118.5295 58.2360 32.2410 177.8536 118 G 3.9591 8.9567 110.9915 45.4083 0.0000 173.3255 119 K 4.5759 7.5491 118.6330 54.9414 33.8629 175.7748 120 D 4.8600 9.1909 122.2599 54.1085 42.0813 175.6905 121 V 4.8022 8.9189 123.5715 60.9221 35.0588 173.6502 122 L 5.2930 8.9830 129.7868 53.3206 44.4330 175.0327 123 V 5.1211 8.8814 126.6394 60.3182 33.7071 174.5355 124 H 5.5641 9.3524 120.1965 53.7044 32.3880 171.5944 125 C 4.5199 8.6688 117.0971 58.0679 32.9455 175.4648 126 L 4.1108 8.8668 115.5873 57.0694 42.0315 178.0526 127 A 4.6327 7.2227 116.6220 51.4982 19.9276 175.1820 128 N 4.2342 8.2789 114.3756 56.3923 37.2630 175.8688 129 Y 3.4778 7.2672 114.4474 59.9385 37.9251 177.4898 130 R 3.8352 7.7806 117.8016 59.5576 30.3086 178.9819 131 A 3.9190 7.8742 119.9640 55.1475 18.4339 179.6849 132 S 4.2281 8.0939 112.5543 61.4583 63.0592 176.6161 133 A 4.1925 8.4514 124.2177 55.1915 18.1916 179.6926 134 F 4.2027 8.8702 116.2001 60.5515 38.8739 177.7574 135 A 4.3820 8.6698 120.9474 55.4198 18.1605 178.7791 136 Y 4.1111 8.4392 118.0387 61.1825 38.8452 178.5780 137 L 3.9160 8.4405 119.7197 57.8374 41.6672 178.9815 138 Y 3.5888 8.6481 119.5404 60.8190 38.7666 178.1496 139 Q 3.6158 8.3260 119.0716 58.4933 28.7428 178.5358 140 L 3.5877 7.5545 121.4537 57.9873 41.8981 178.8681 141 K 2.6668 7.1075 117.9478 59.1511 32.0198 178.0057 142 Q 3.8852 7.2229 115.3179 55.8497 28.5930 176.7122 143 G 3.7464 7.4027 108.1455 46.3831 0.0000 174.5692 144 Q 4.0425 8.0202 117.1442 55.1319 29.5995 175.2647 145 N 4.1235 8.0215 116.0227 53.6947 37.1110 172.0650 146 P 4.3706 0.0000 0.0000 62.9551 32.7333 176.6436 147 N 4.6101 8.4825 118.6494 52.7768 40.7424 174.8505 *149 A 4.2940 8.3697 120.0537 52.4053 20.4049 178.2830 150 Q 4.1746 8.6183 113.7778 59.4963 28.8835 179.1004 151 T 4.2077 8.1763 110.9214 64.6447 68.0204 175.3727 *153 T 4.4540 8.0163 120.6191 63.2943 70.2599 174.6236 154 P 4.1250 0.0000 0.0000 64.6411 31.5131 177.3754 155 W 4.2611 8.3824 117.6147 57.2331 30.5935 177.8093 156 N 4.2915 7.4564 115.0400 53.9690 38.6323 174.6938 157 D 5.0537 8.8219 112.1413 53.2942 39.7843 177.2641 158 E 4.4138 8.8098 121.1324 58.6508 29.7148 177.7554 159 L 4.4029 8.4971 120.8290 58.5730 41.8464 178.6681 160 A 4.4167 7.9955 119.8194 54.3233 18.4682 178.7586 161 I 3.9933 7.6639 116.5495 62.0591 38.6880 176.1273 162 Y 4.8634 7.7787 118.8464 54.5446 37.8753 174.0955 163 P 4.3314 0.0000 0.0000 65.7795 31.5161 178.7415 164 K 3.8760 8.1050 117.8083 58.9543 31.8726 179.0834 165 W 3.8910 8.1474 118.8712 59.3550 29.2759 178.2431 166 Q 3.9476 8.5248 119.5054 59.0565 28.3906 178.2905 167 A 4.0420 8.2971 122.0787 54.9426 18.4036 179.2629 168 L 3.7423 7.6984 118.7954 58.4031 42.1095 179.2175 169 L 4.0666 8.1476 119.0167 58.0587 41.4969 179.7859 170 T 3.8797 8.0545 115.6275 66.6331 68.2084 176.6270 171 E 3.8991 8.1872 119.4658 59.5087 29.8199 179.4005 172 V 3.7586 7.9672 118.2800 66.0998 31.7670 178.2539 173 S 4.3398 8.4898 114.7785 61.4840 62.3871 176.4745 174 A 4.0438 7.8369 122.8017 54.8289 18.1156 179.3351 175 K 3.8635 7.6629 115.7753 57.3223 32.2490 176.2955 176 Y 4.9640 6.9547 115.0967 55.9033 42.1987 176.4473 177 G 4.1933 8.3245 114.2811 46.2718 0.0000 173.8206 178 H 4.4119 8.7502 120.8545 55.8739 29.4383 173.3240 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 G 8.21 3.73 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 0.00 0.00 0.00 *23 N 8.32 4.64 0.00 2.74 2.84 0.00 0.00 7.31 7.45 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 24 I 8.18 3.82 1.86 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 1.41 0.73 0.90 0.00 0.00 25 E 8.57 4.55 0.00 1.91 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 0.00 2.28 2.32 0.00 26 S 8.69 3.78 0.00 3.98 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 27 I 7.46 3.67 1.86 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 1.68 1.61 0.90 0.00 0.00 28 E 8.14 4.43 0.00 2.17 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 0.00 2.34 2.18 0.00 29 N 8.21 4.49 0.00 2.80 2.90 0.00 0.00 6.96 7.38 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 30 L 7.84 4.55 0.00 1.68 1.68 0.91 0.85 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 31 Q 8.03 4.53 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.31 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 32 G 8.00 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 33 I 8.06 3.72 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.81 0.00 0.00 34 R 8.66 3.69 0.00 1.78 1.76 0.00 3.28 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 35 A 8.63 3.83 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 36 L 7.86 4.53 0.00 1.75 1.55 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.32 4.43 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 38 Q 8.91 4.37 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 39 Q 8.88 4.52 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 40 A 7.38 4.46 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 41 P 0.00 4.31 0.00 2.07 2.15 0.00 3.67 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 2.04 2.13 0.00 42 Q 8.07 4.99 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 43 L 8.02 5.16 0.00 1.80 1.55 1.02 0.85 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 44 L 9.20 5.21 0.00 1.63 1.56 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.97 5.86 0.00 4.06 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 46 S 7.68 5.15 0.00 4.00 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 47 G 8.32 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 48 L 8.37 4.35 0.00 1.72 1.57 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.28 0.00 0.87 1.37 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 50 N 9.14 4.86 0.00 2.96 2.98 0.00 0.00 6.78 7.20 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 51 E 8.73 4.20 0.00 2.01 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 2.15 2.36 0.00 52 Q 8.48 4.52 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 53 Q 8.08 4.49 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 54 F 8.04 4.11 0.00 3.05 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 55 S 8.16 4.24 0.00 3.89 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 56 L 7.89 3.97 0.00 1.81 1.68 0.88 0.70 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 57 L 7.69 3.97 0.00 1.85 1.74 0.70 0.93 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 58 K 8.03 3.95 0.00 2.01 2.02 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.52 7.81 59 Q 8.06 3.97 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 60 A 7.88 4.25 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 61 G 7.97 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 62 V 7.51 3.72 2.23 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 0.92 0.00 0.00 0.99 0.00 0.00 63 D 8.98 4.80 0.00 2.72 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 64 V 7.62 4.65 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 0.86 0.00 0.00 0.88 0.00 0.00 65 V 8.95 4.84 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 1.38 0.00 0.00 1.16 0.00 0.00 66 I 9.17 4.78 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 1.11 0.00 0.00 67 N 9.00 4.87 0.00 3.25 2.87 0.00 0.00 6.70 7.51 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 68 L 8.38 5.41 0.00 1.43 1.32 0.19 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *70 P 0.00 4.62 0.00 2.28 2.10 0.00 3.66 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 71 D 9.43 4.47 0.00 2.69 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 72 S 8.08 4.35 0.00 4.01 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 73 S 8.05 4.30 0.00 3.94 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 74 K 8.65 3.97 0.00 1.85 1.95 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 75 D 7.90 4.52 0.00 2.64 2.70 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 76 A 7.50 4.12 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 77 H 8.40 4.47 0.00 3.14 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.38 0.00 2.00 2.09 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 79 D 7.41 4.60 0.00 2.52 2.35 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 80 E 8.16 3.65 0.00 2.06 1.75 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 1.98 2.01 0.00 81 G 7.20 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 0.00 0.00 0.00 82 K 7.79 3.75 0.00 1.86 1.81 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 83 L 7.08 3.70 0.00 0.77 0.82 0.52 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 V 6.97 3.43 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 1.02 0.00 0.00 0.74 0.00 0.00 85 T 7.99 4.04 4.22 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 1.25 0.00 0.00 86 Q 8.25 3.99 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.17 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 87 A 7.45 4.44 1.43 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 0.00 0.00 0.00 88 G 7.83 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 D 7.41 4.56 0.00 2.69 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 91 Y 8.65 5.31 0.00 2.86 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 92 V 8.34 4.26 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 0.96 0.00 0.00 0.89 0.00 0.00 93 Y 8.44 4.86 0.00 2.52 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 94 I 8.52 4.46 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.97 0.00 0.00 95 P 0.00 4.55 0.00 1.95 1.75 0.00 3.21 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 1.74 1.51 0.00 96 V 8.38 4.34 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 0.98 0.00 0.00 0.80 0.00 0.00 97 D 8.74 4.55 0.00 2.76 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 98 W 9.21 4.57 0.00 3.41 3.19 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 99 Q 8.43 4.35 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 100 N 7.84 4.81 0.00 2.59 2.80 0.00 0.00 7.12 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 0.00 101 P 0.00 4.28 0.00 1.36 0.80 0.00 3.40 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 102 K 8.51 4.56 0.00 1.84 1.61 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.46 7.81 103 V 8.29 3.48 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 1.09 0.00 0.00 0.83 0.00 0.00 104 E 8.09 3.90 0.00 2.21 2.16 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 2.32 2.38 0.00 105 D 7.97 4.38 0.00 3.04 3.05 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 0.00 106 V 7.44 2.89 1.73 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 0.17 0.00 0.00 0.17 0.00 0.00 107 E 8.22 3.76 0.00 2.08 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 2.39 2.44 0.00 108 A 8.18 4.03 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.23 4.33 0.00 3.27 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 0.00 110 F 8.40 4.49 0.00 3.16 2.99 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 0.00 111 A 8.59 4.23 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 0.00 112 A 8.02 4.13 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 *114 D 8.11 4.31 0.00 2.88 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 0.00 115 Q 7.77 4.24 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.43 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 116 H 7.59 4.96 0.00 2.99 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.23 4.06 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.62 7.81 118 G 8.96 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 0.00 0.00 0.00 119 K 7.55 4.58 0.00 1.89 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.61 7.81 120 D 9.19 4.86 0.00 2.78 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 0.00 121 V 8.92 4.80 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 1.02 0.00 0.00 0.94 0.00 0.00 122 L 8.98 5.29 0.00 1.83 1.58 0.98 1.05 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 0.00 123 V 8.88 5.12 2.34 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 0.83 0.00 0.00 0.81 0.00 0.00 124 H 9.35 5.56 0.00 3.53 3.43 0.00 5.43 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.67 4.52 0.00 2.88 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 0.00 126 L 8.87 4.11 0.00 1.66 1.54 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.22 4.63 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 0.00 128 N 8.28 4.23 0.00 3.03 2.71 0.00 0.00 7.13 7.56 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 0.00 129 Y 7.27 3.48 0.00 2.30 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 0.00 0.00 0.00 0.00 130 R 7.78 3.84 0.00 1.74 1.77 0.00 3.19 0.00 0.00 3.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 131 A 7.87 3.92 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 0.00 132 S 8.09 4.23 0.00 4.40 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 0.00 133 A 8.45 4.19 1.82 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 0.00 134 F 8.87 4.20 0.00 2.88 2.36 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 0.00 135 A 8.67 4.38 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.44 4.11 0.00 3.26 3.35 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 0.00 137 L 8.44 3.92 0.00 2.08 2.00 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.65 3.59 0.00 3.46 3.40 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 0.00 139 Q 8.33 3.62 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 140 L 7.55 3.59 0.00 1.18 1.44 0.76 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.11 2.67 0.00 0.79 1.08 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.85 0.92 7.81 142 Q 7.22 3.89 0.00 1.63 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.07 0.00 0.00 0.00 0.00 0.00 1.22 1.26 0.00 143 G 7.40 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 0.00 144 Q 8.02 4.04 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 145 N 8.02 4.12 0.00 2.76 2.78 0.00 0.00 7.07 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 0.00 146 P 0.00 4.37 0.00 2.43 2.06 0.00 3.70 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 147 N 8.48 4.61 0.00 2.79 2.82 0.00 0.00 6.95 8.14 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 *149 A 8.37 4.29 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 0.00 150 Q 8.62 4.17 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.52 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 151 T 8.18 4.21 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 1.46 0.00 0.00 *153 T 8.02 4.45 4.48 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 0.00 0.00 0.00 1.21 0.00 0.00 154 P 0.00 4.13 0.00 1.70 1.67 0.00 3.75 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 1.99 0.00 155 W 8.38 4.26 0.00 3.41 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 0.00 156 N 7.46 4.29 0.00 2.95 2.09 0.00 0.00 6.82 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 0.00 157 D 8.82 5.05 0.00 2.83 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 0.00 158 E 8.81 4.41 0.00 2.59 2.48 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 0.00 2.47 2.82 0.00 159 L 8.50 4.40 0.00 1.76 1.75 0.78 0.87 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 0.00 160 A 8.00 4.42 1.35 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 0.00 161 I 7.66 3.99 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.56 0.00 0.00 162 Y 7.78 4.86 0.00 3.42 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 0.00 163 P 0.00 4.33 0.00 2.28 2.35 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 164 K 8.11 3.88 0.00 1.63 1.65 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.52 7.81 165 W 8.15 3.89 0.00 3.73 3.37 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 0.00 166 Q 8.52 3.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 167 A 8.30 4.04 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 0.00 168 L 7.70 3.74 0.00 1.49 1.59 0.69 0.46 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 0.00 169 L 8.15 4.07 0.00 1.86 1.73 0.67 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.05 3.88 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 1.21 0.00 0.00 171 E 8.19 3.90 0.00 1.99 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 2.30 2.35 0.00 172 V 7.97 3.76 2.14 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 1.28 0.00 0.00 0.89 0.00 0.00 173 S 8.49 4.34 0.00 4.16 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 0.00 174 A 7.84 4.04 1.35 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 0.00 175 K 7.66 3.86 0.00 0.79 1.07 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.43 7.81 176 Y 6.95 4.96 0.00 2.94 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 0.00 177 G 8.32 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 0.00 0.00 0.00 178 H 8.75 4.41 0.00 3.09 3.17 0.00 5.93 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 * Residues marked with a * may have inaccurate shift predictions.