NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4992 8.1233 122.4823 51.7112 21.7365 176.2582 2 T 4.8928 7.8234 112.4848 61.4140 70.8023 172.1427 3 W 5.1658 10.3775 128.0979 55.3115 32.8503 174.8534 4 T 5.3056 9.3551 120.1627 62.2597 70.9089 172.5284 5 C 5.4102 9.7884 124.2848 55.2980 43.6429 172.8252 6 I 5.0535 8.3319 121.9080 59.6931 39.1015 174.6164 7 N 5.0270 9.4255 125.7048 51.6819 42.3133 172.8940 8 Q 4.8951 9.0085 128.0980 56.1855 30.4420 174.5971 9 Q 4.9855 9.9784 125.1563 53.8365 33.4276 174.2881 10 L 3.7496 7.9183 125.0353 53.8162 42.3698 177.4617 *17 W 5.0844 8.1328 129.6544 56.5563 30.4745 175.5052 18 E 4.3489 8.5788 117.4001 56.3989 31.2555 177.2764 19 D 4.9222 8.6932 121.8805 53.6325 41.4622 175.9197 20 K 4.5741 9.3086 124.4501 55.2281 34.3131 176.0824 21 R 5.1576 8.5323 122.3673 54.6275 32.1727 175.5661 22 L 4.8433 9.1396 123.4905 52.8503 45.2202 175.4386 23 L 5.3972 8.2973 122.2418 53.2906 44.5408 175.4469 24 Y 4.7624 9.0060 118.9523 56.3389 42.8603 174.0664 25 S 4.9502 8.6685 117.3445 57.3215 63.7909 174.6005 26 Q 3.7964 9.8276 128.6676 59.2959 28.8190 178.4120 27 A 3.9245 7.9197 121.2343 55.0173 18.4332 179.6648 28 K 3.9307 7.8274 116.5333 59.5060 32.2947 179.5133 29 A 4.2414 7.8386 122.3915 54.6354 18.2597 179.5450 30 E 3.7051 8.3129 117.5111 59.5926 29.3998 179.4765 31 S 4.0136 8.3629 113.4830 61.3691 61.9843 175.9289 32 N 4.5530 8.0935 119.4516 56.4342 38.1196 177.5139 33 S 3.4258 7.4056 113.8945 61.4125 62.9024 175.9794 34 H 4.2717 7.3822 118.7233 58.6014 28.4977 176.7552 35 H 4.5719 7.5761 116.0468 56.0580 29.2475 175.8263 36 A 3.6988 6.5544 123.6175 50.9565 18.6678 175.7231 37 P 4.3141 0.0000 0.0000 62.4543 32.1386 177.1296 38 L 4.5488 8.0275 123.6701 53.3577 40.4162 175.2214 39 S 4.5279 7.7367 115.7465 56.4548 66.1649 174.1528 40 D 4.8045 8.4491 120.0794 53.0577 41.2434 175.4062 41 G 4.5440 9.5216 116.2701 46.5357 0.0000 172.5190 42 K 4.4981 7.6448 116.0614 55.8298 32.2190 176.2886 43 T 4.8059 7.5860 109.3709 59.2415 71.5350 175.1232 44 G 3.7718 8.9344 111.4904 48.7001 0.0000 175.1859 45 S 4.4569 8.4734 113.2935 58.8392 63.3231 175.2187 46 S 4.3439 8.3250 115.7479 57.9301 61.9404 167.4116 47 Y 5.1643 7.6418 118.1056 55.7369 40.2022 174.0328 48 P 5.3879 0.0000 0.0000 63.3580 33.4323 174.4334 49 H 5.5274 8.8715 114.9009 53.3574 32.6868 172.2668 50 W 4.9644 9.6120 130.2134 58.1269 31.0932 175.0348 51 F 4.7775 9.2952 130.6833 56.5306 39.3427 175.2043 52 T 2.9110 7.5994 118.0080 62.4698 68.5631 174.6623 53 N 3.1969 7.5747 117.4995 53.9768 37.3256 174.5841 54 G 3.6652 7.6789 104.0383 44.7660 0.0000 173.5222 55 Y 4.9599 7.1992 116.8158 56.2360 40.2238 174.8784 56 D 4.9123 9.0701 122.2954 51.7353 41.7015 177.5775 57 G 3.7134 8.7947 106.8303 48.0871 0.0000 174.4776 58 N 4.6100 8.5225 115.4365 53.1642 39.0302 175.5901 59 G 3.8610 8.6072 106.7083 45.5387 0.0000 173.2224 60 K 4.6015 8.5093 119.3466 54.2481 33.5634 175.5113 61 L 4.2956 8.4491 125.9914 54.4956 42.9002 176.4617 62 I 3.8316 8.4686 128.0944 60.8674 38.2918 175.4644 63 K 3.9791 8.5836 128.1809 58.3399 31.9872 176.9559 64 G 3.9426 9.2584 116.0057 45.1923 0.0000 173.2490 65 R 4.2469 7.3962 118.6110 55.2745 31.1650 176.0297 66 T 4.4047 8.0394 118.1635 61.0641 70.0519 172.6495 67 P 4.4952 0.0000 0.0000 61.9194 32.1959 176.4214 68 I 3.7536 8.4968 123.0751 60.9345 37.5524 175.5683 69 K 4.3895 8.2283 126.0435 54.9610 33.1159 175.9351 70 F 4.4535 9.6640 125.7316 57.8223 39.5783 176.9241 71 G 4.0357 9.8767 108.1937 45.9511 0.0000 173.6669 72 K 4.7146 8.0205 116.9942 53.0226 37.1548 176.5289 73 A 4.0259 8.6557 125.2800 55.7787 18.2322 180.0510 74 D 4.3553 8.0357 115.1548 57.5568 40.9466 179.2516 75 C 4.4383 8.1083 116.0442 59.5189 40.5544 174.8278 76 D 4.5327 8.2264 118.5055 54.1856 41.2767 177.2902 77 R 4.1487 7.4190 116.8567 54.8004 30.2049 174.9030 78 P 3.7770 0.0000 0.0000 61.8129 31.9456 174.3526 79 P 4.6263 0.0000 0.0000 62.8507 32.7075 175.8815 80 K 4.4152 9.1261 122.1120 55.0351 34.7887 174.6295 81 H 4.6190 8.6249 127.7390 54.2305 31.8613 173.2929 82 S 4.2582 9.7572 123.5483 58.0544 63.5220 176.9953 83 Q 2.8221 6.2229 115.5122 55.5860 28.6248 177.0015 84 N 4.6952 7.8020 111.3888 52.6560 38.2138 176.0990 85 G 3.3886 7.9887 104.4864 47.2176 0.0000 174.7311 86 M 4.5786 7.3466 114.8490 54.0795 33.3489 176.5272 87 G 4.0104 8.3621 108.3050 44.6661 0.0000 174.9035 88 K 4.1016 8.6578 120.5659 59.0001 32.7256 177.3634 89 D 4.9488 7.8181 117.4209 53.8061 41.9148 175.3029 90 D 4.8978 7.9005 119.5082 55.0305 42.4630 175.5723 91 H 5.1694 9.3902 117.8550 55.0185 31.9464 172.0739 92 Y 5.0927 8.2042 120.1766 56.1943 42.0790 173.0293 93 L 4.8550 8.9384 118.9165 53.7845 43.8246 176.0814 94 L 5.4230 8.6923 122.8889 52.8202 45.2441 175.1384 95 E 5.0705 9.2097 120.0093 54.5861 32.5972 174.6306 96 F 5.0579 8.8484 123.8475 55.5903 43.2472 172.0697 97 P 4.1431 0.0000 0.0000 63.0303 31.5264 175.5149 98 T 4.5479 7.8472 116.4552 60.4439 71.3829 172.7132 99 F 5.1216 8.5885 123.8691 54.8780 42.9911 174.3789 100 P 4.1235 0.0000 0.0000 65.5648 31.1500 177.5728 101 D 4.4635 8.2238 115.3208 53.6581 39.7307 177.3513 102 G 4.0583 8.3384 108.3932 45.7737 0.0000 173.8284 103 H 4.3731 8.2802 115.1290 55.4156 29.0220 174.9653 104 D 4.8008 8.5967 121.3116 53.5399 40.8844 176.0406 105 Y 4.3848 9.0583 125.8893 57.9803 39.3966 177.1979 106 K 4.0818 8.2494 127.1657 55.2517 30.2980 177.5431 107 F 4.7012 8.3426 118.9762 59.1423 38.2444 177.1290 108 D 5.0081 7.4195 119.1409 53.7660 41.2240 176.5342 109 S 4.2812 7.7333 115.8015 58.0527 63.5133 173.9443 110 K 4.3870 8.5142 121.6536 56.9843 35.1898 178.0265 111 K 4.2939 8.1165 115.6141 57.2206 27.8948 170.8018 112 P 4.4389 0.0000 0.0000 61.7204 32.1992 176.7900 113 K 4.2313 8.4990 124.7168 55.1417 33.0579 175.9449 114 E 4.0193 8.6299 127.2562 55.9597 30.1026 176.0404 115 N 4.5773 8.7332 124.3388 53.2848 39.2940 172.9579 116 P 4.4227 0.0000 0.0000 62.4425 32.1642 177.5004 117 G 4.0501 7.9192 108.9065 44.6054 0.0000 170.9067 118 P 4.6651 0.0000 0.0000 63.8359 33.0269 175.5697 119 A 4.8849 7.7238 122.4975 50.5411 21.3447 176.1267 120 R 4.8790 8.3308 119.2112 54.1513 34.7451 174.7030 121 V 4.2358 8.5808 123.4355 60.6359 33.4549 174.7542 122 I 4.8190 7.9955 126.5251 59.7026 39.2273 174.4215 123 Y 5.1855 7.9643 123.4087 56.1113 42.0464 173.7633 124 T 4.7692 8.8212 110.2620 60.8632 71.5639 172.8429 125 Y 4.8341 8.7799 124.6818 55.3658 40.7837 174.2607 126 P 3.9466 0.0000 0.0000 62.5174 32.2191 175.8597 127 N 4.3530 7.8108 115.8558 54.0233 38.7965 174.8708 128 K 4.1519 7.8516 116.5765 57.3335 30.0121 176.1309 129 V 3.8521 7.9410 119.1287 62.8466 32.7698 174.6107 130 F 4.5420 8.8822 130.3962 58.5261 39.3756 175.2608 131 C 4.2231 8.6581 123.9356 56.6761 42.6192 174.1748 132 G 3.2674 5.3800 103.3528 45.9271 0.0000 170.7588 133 I 4.7147 5.7791 119.3439 59.2931 40.2784 175.6767 134 V 4.9905 8.1428 117.8212 59.8328 36.3227 174.2490 135 A 4.9431 8.5894 121.9883 50.7081 22.7323 175.8609 136 H 4.5561 8.9922 118.9099 56.4316 29.1983 175.7736 137 Q 4.2893 8.9135 123.0096 58.2046 30.5583 176.0416 138 R 4.9489 7.9709 115.7868 54.9804 32.2780 174.7743 139 G 4.0672 9.0505 114.1173 46.5976 0.0000 173.5141 140 N 4.7658 8.8726 123.8427 53.1146 38.8992 174.0105 141 Q 4.3975 7.8969 117.5899 54.8108 32.0415 174.3084 142 G 4.0656 8.5725 104.2526 44.6509 0.0000 172.4784 143 D 4.6041 8.3545 118.0076 54.3035 42.2335 175.7137 144 L 4.6776 8.4490 122.3875 54.3124 42.7498 176.4009 145 R 4.7332 8.8808 122.6581 53.8237 33.8715 174.9185 146 L 4.4245 8.4090 124.4122 55.4715 42.7331 177.4492 147 C 4.9612 9.1602 124.3252 56.7325 38.7504 172.8149 148 S 5.0427 8.7983 114.9664 57.2484 65.5723 174.3557 149 H 4.4755 7.8511 114.9149 56.0565 27.8598 173.2203 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 8.12 4.50 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 2 T 7.82 4.89 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 1.35 0.00 0.00 3 W 10.38 5.17 0.00 3.37 3.27 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 4 T 9.36 5.31 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 1.29 0.00 0.00 5 C 9.79 5.41 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.33 5.05 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.94 0.00 0.00 7 N 9.43 5.03 0.00 2.78 2.70 0.00 0.00 6.43 7.16 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 8 Q 9.01 4.90 0.00 2.21 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.70 2.39 0.00 9 Q 9.98 4.99 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 10 L 7.92 3.75 0.00 0.59 1.18 0.31 0.78 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 *17 W 8.13 5.08 0.00 3.38 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 18 E 8.58 4.35 0.00 2.06 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 0.00 2.38 2.49 0.00 19 D 8.69 4.92 0.00 2.62 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 20 K 9.31 4.57 0.00 1.84 1.77 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.79 7.81 21 R 8.53 5.16 0.00 1.71 1.89 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 22 L 9.14 4.84 0.00 1.81 1.48 1.08 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.30 5.40 0.00 1.41 1.55 0.94 0.84 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 24 Y 9.01 4.76 0.00 3.04 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 25 S 8.67 4.95 0.00 3.96 3.78 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 26 Q 9.83 3.80 0.00 2.44 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 1.88 1.55 0.00 27 A 7.92 3.92 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 28 K 7.83 3.93 0.00 2.03 1.92 0.00 1.72 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 1.49 1.48 7.81 29 A 7.84 4.24 1.32 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 30 E 8.31 3.71 0.00 1.92 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 1.92 1.63 0.00 31 S 8.36 4.01 0.00 3.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.09 4.55 0.00 3.06 3.08 0.00 0.00 6.72 7.60 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 33 S 7.41 3.43 0.00 2.72 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 34 H 7.38 4.27 0.00 3.07 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.58 4.57 0.00 3.10 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.55 3.70 0.32 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 37 P 0.00 4.31 0.00 1.85 1.80 0.00 3.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 0.00 38 L 8.03 4.55 0.00 1.63 1.69 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.74 4.53 0.00 3.97 3.79 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 40 D 8.45 4.80 0.00 2.77 2.51 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 0.00 0.00 0.00 0.00 41 G 9.52 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.64 4.50 0.00 1.58 1.85 0.00 1.54 0.00 0.00 1.91 0.00 0.00 3.25 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 43 T 7.59 4.81 4.73 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 1.33 0.00 0.00 44 G 8.93 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 0.00 0.00 0.00 45 S 8.47 4.46 0.00 4.46 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.34 0.00 3.97 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.64 5.16 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 48 P 0.00 5.39 0.00 2.32 2.62 0.00 3.78 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 49 H 8.87 5.53 0.00 3.41 3.57 0.00 5.47 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 9.61 4.96 0.00 3.26 3.07 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 51 F 9.30 4.78 0.00 3.05 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 52 T 7.60 2.91 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 -0.34 0.00 0.00 53 N 7.57 3.20 0.00 2.40 2.97 0.00 0.00 7.14 7.98 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 54 G 7.68 3.67 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 0.00 0.00 0.00 55 Y 7.20 4.96 0.00 3.13 2.94 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 56 D 9.07 4.91 0.00 2.93 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 57 G 8.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.52 4.61 0.00 2.86 2.89 0.00 0.00 7.10 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 8.61 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 0.00 0.00 0.00 60 K 8.51 4.60 0.00 2.29 1.78 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.41 7.81 61 L 8.45 4.30 0.00 1.57 1.49 0.76 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.47 3.83 1.75 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 1.25 0.55 0.85 0.00 0.00 63 K 8.58 3.98 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 64 G 9.26 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 65 R 7.40 4.25 0.00 1.83 1.71 0.00 3.02 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 66 T 8.04 4.40 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 67 P 0.00 4.50 0.00 2.06 2.10 0.00 3.60 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 1.91 1.70 0.00 68 I 8.50 3.75 1.66 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 1.12 0.50 0.28 0.00 0.00 69 K 8.23 4.39 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.61 7.81 70 F 9.66 4.45 0.00 3.12 3.27 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 71 G 9.88 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 72 K 8.02 4.71 0.00 1.81 1.70 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.60 7.81 73 A 8.66 4.03 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 74 D 8.04 4.36 0.00 2.66 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 75 C 8.11 4.44 0.00 3.17 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 76 D 8.23 4.53 0.00 2.81 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 77 R 7.42 4.15 0.00 1.93 2.04 0.00 3.02 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 78 P 0.00 3.78 0.00 2.07 1.73 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 79 P 0.00 4.63 0.00 2.26 2.25 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 80 K 9.13 4.42 0.00 1.67 1.24 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 81 H 8.62 4.62 0.00 2.09 2.12 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.76 4.26 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 83 Q 6.22 2.82 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.41 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 84 N 7.80 4.70 0.00 2.76 2.92 0.00 0.00 5.92 7.98 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 85 G 7.99 3.39 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 0.00 86 M 7.35 4.58 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 87 G 8.36 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.66 4.10 0.00 1.88 1.97 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.47 7.81 89 D 7.82 4.95 0.00 2.65 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 90 D 7.90 4.90 0.00 2.93 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 91 H 9.39 5.17 0.00 3.06 3.33 0.00 5.30 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.20 5.09 0.00 3.21 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 93 L 8.94 4.86 0.00 2.12 1.77 1.17 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.69 5.42 0.00 0.58 1.13 0.97 0.84 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 95 E 9.21 5.07 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 96 F 8.85 5.06 0.00 3.42 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 97 P 0.00 4.14 0.00 0.91 1.18 0.00 2.20 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 98 T 7.85 4.55 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 0.86 0.00 0.00 99 F 8.59 5.12 0.00 3.28 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 0.00 100 P 0.00 4.12 0.00 1.96 1.98 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.33 0.00 101 D 8.22 4.46 0.00 2.81 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 0.00 102 G 8.34 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 0.00 103 H 8.28 4.37 0.00 3.29 3.35 0.00 5.75 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 0.00 104 D 8.60 4.80 0.00 2.83 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 0.00 105 Y 9.06 4.38 0.00 3.01 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 0.00 106 K 8.25 4.08 0.00 1.75 1.45 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.21 7.81 107 F 8.34 4.70 0.00 3.83 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 0.00 108 D 7.42 5.01 0.00 2.47 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 0.00 109 S 7.73 4.28 0.00 3.91 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 0.00 110 K 8.51 4.39 0.00 1.85 1.81 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.47 7.81 111 K 8.12 4.29 0.00 1.84 2.19 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.51 7.81 112 P 0.00 4.44 0.00 2.18 2.07 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 113 K 8.50 4.23 0.00 1.82 1.85 0.00 2.13 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.65 1.81 7.81 114 E 8.63 4.02 0.00 1.75 1.50 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 2.40 2.18 0.00 115 N 8.73 4.58 0.00 2.80 2.83 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 0.00 116 P 0.00 4.42 0.00 1.66 1.60 0.00 4.08 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 117 G 7.92 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 0.00 118 P 0.00 4.67 0.00 2.18 2.51 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 119 A 7.72 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.33 4.88 0.00 1.36 1.50 0.00 3.06 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.54 0.00 121 V 8.58 4.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 122 I 8.00 4.82 1.37 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.45 0.46 0.00 0.00 123 Y 7.96 5.19 0.00 3.06 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 0.00 124 T 8.82 4.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 125 Y 8.78 4.83 0.00 2.66 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 0.00 0.00 0.00 126 P 0.00 3.95 0.00 1.66 0.69 0.00 3.56 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 127 N 7.81 4.35 0.00 2.66 2.86 0.00 0.00 7.03 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 0.00 128 K 7.85 4.15 0.00 1.97 1.96 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.43 7.81 129 V 7.94 3.85 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 1.01 0.00 0.00 0.99 0.00 0.00 130 F 8.88 4.54 0.00 3.02 2.96 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 0.00 131 C 8.66 4.22 0.00 2.06 1.76 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 0.00 132 G 5.38 3.27 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 0.00 133 I 5.78 4.71 1.17 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.05 0.36 0.00 0.00 134 V 8.14 4.99 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 0.64 0.00 0.00 0.60 0.00 0.00 135 A 8.59 4.94 1.15 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 0.00 0.00 136 H 8.99 4.56 0.00 3.06 3.45 0.00 5.85 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 0.00 137 Q 8.91 4.29 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 138 R 7.97 4.95 0.00 1.82 1.54 0.00 2.63 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 139 G 9.05 4.07 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 0.00 140 N 8.87 4.77 0.00 2.72 2.82 0.00 0.00 6.50 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 0.00 141 Q 7.90 4.40 0.00 2.17 2.17 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 2.45 2.46 0.00 142 G 8.57 4.07 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 0.00 143 D 8.35 4.60 0.00 2.61 2.59 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 0.00 144 L 8.45 4.68 0.00 1.57 1.48 0.80 0.46 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 0.00 145 R 8.88 4.73 0.00 1.68 1.77 0.00 3.11 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 146 L 8.41 4.42 0.00 1.56 1.57 1.19 0.93 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 0.00 147 C 9.16 4.96 0.00 3.40 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 0.00 148 S 8.80 5.04 0.00 3.85 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 0.00 149 H 7.85 4.48 0.00 2.61 1.47 0.00 5.16 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.