NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.3091 8.3444 118.8469 56.2545 29.5145 173.7059 10 S 4.6607 8.4450 109.5342 57.4360 64.2470 173.5208 11 Q 4.6402 8.2674 120.8910 54.9352 32.2170 173.4602 12 F 4.8988 8.7061 124.0282 55.8323 43.1497 174.7704 13 F 4.6702 9.3015 121.0755 55.7736 41.5278 176.3280 14 I 3.6454 8.7376 118.9608 64.8543 37.1291 177.2436 15 E 4.0963 8.1846 116.7212 59.4071 29.8754 178.3475 16 H 4.8878 8.6116 117.7907 58.8026 28.9577 177.6121 17 I 4.0189 7.9684 121.1593 64.4556 36.6970 178.3088 18 L 4.0134 7.9666 119.0600 57.8134 41.6475 178.2865 19 Q 4.1935 8.1878 115.7000 57.1345 29.2195 176.9875 20 I 3.7131 7.5873 116.5313 62.5322 39.0220 176.0558 21 L 4.2288 7.7923 119.4965 53.5685 42.0940 175.7173 22 P 4.3433 0.0000 0.0000 64.7452 31.9729 176.5992 23 H 4.2001 8.1296 116.6588 56.0180 29.2504 174.3801 24 R 4.7521 8.1013 120.8675 53.9290 34.1862 173.7069 25 Y 4.2552 8.6194 119.7935 57.8274 39.2419 174.5497 26 P 3.9979 0.0000 0.0000 62.8101 31.4084 175.4178 27 M 4.5335 8.4299 113.8957 55.6896 33.7086 176.0199 28 L 4.4285 7.8659 121.6580 53.9732 41.5290 176.2072 29 L 4.8489 8.3122 129.3642 54.1069 42.4592 177.1552 30 V 4.5625 7.6372 116.9070 61.5288 34.4871 173.8127 31 D 4.7233 8.7141 126.6374 55.5381 42.6896 176.8130 32 R 4.4773 6.9986 116.2037 54.8467 33.8701 173.6217 33 I 4.6926 8.5082 126.1808 59.9651 38.8247 176.2816 34 T 4.3325 8.8293 117.2188 62.5500 70.6864 174.7771 35 E 4.8766 7.9136 122.0478 54.6517 33.4279 173.7833 36 L 5.0989 8.4875 127.7313 53.9685 45.7057 174.7822 37 Q 4.6649 9.2834 125.4359 53.7142 31.4764 174.9662 38 A 3.9870 8.8676 126.5852 54.0669 18.5834 176.5650 39 N 4.6186 9.1733 118.5313 54.2653 37.2678 174.1070 40 Q 4.6694 8.5672 116.4509 56.6585 31.5262 175.3550 41 K 4.9307 7.8385 115.0870 56.6458 36.2589 173.2902 42 I 4.9730 8.8473 119.5561 59.9242 42.0016 173.1876 43 V 4.9545 9.1595 128.3376 61.3224 34.4711 174.3054 44 A 5.2695 8.8233 128.7558 51.7403 23.2278 173.4838 45 Y 4.6626 8.0434 113.0921 56.3650 41.9791 173.4502 46 K 4.8532 8.5131 121.7096 54.5751 35.3145 175.1332 47 N 4.8508 9.5215 125.7162 53.3468 39.7294 174.5386 48 I 4.5320 8.5799 123.7720 59.9866 39.1746 174.7108 49 T 4.9345 9.0868 121.4895 59.9436 70.0158 173.9044 50 F 3.9470 9.0158 127.7118 60.8777 39.7540 175.5161 51 N 4.8146 7.9170 119.7682 53.9097 38.5965 174.2675 52 E 4.7838 8.0864 115.8845 53.7427 32.7658 176.6212 53 D 4.3610 9.0245 122.8545 57.6952 40.8616 178.8850 54 V 3.3595 7.6489 118.8231 64.8953 31.1383 177.8899 55 F 4.4157 7.8981 117.2287 59.4671 38.4849 177.1885 56 N 4.6272 8.2671 116.5589 55.1085 38.3434 175.8087 57 G 4.0574 7.4675 105.8626 45.4217 0.0000 173.2919 58 H 3.4118 7.6100 118.2405 53.9485 30.0471 171.4865 59 F 5.1703 9.0691 121.6618 54.1380 43.3948 173.0638 60 P 4.4327 0.0000 0.0000 64.5133 31.2786 176.3282 61 N 4.3923 9.4846 118.5626 53.7278 36.3864 175.4369 62 K 4.6078 8.0585 117.8754 55.0232 34.1155 171.1922 63 P 4.8879 0.0000 0.0000 62.6753 32.1917 176.9492 64 I 5.0074 8.9485 125.5651 59.1402 40.7317 175.1224 65 F 4.3351 9.6781 130.8953 57.2278 40.0475 173.3388 66 P 3.8208 0.0000 0.0000 62.8136 31.9961 177.2026 67 G 2.9136 8.4795 109.8747 47.9292 0.0000 176.0650 68 V 3.7931 7.5154 114.0405 64.0167 31.5180 178.4001 69 L 4.0290 7.5359 118.7006 57.2676 41.3974 179.4206 70 I 4.1397 7.5824 119.9550 64.4118 37.0147 178.5787 71 V 3.7067 7.9254 118.7106 65.9396 31.4649 177.3298 72 E 4.2833 8.4481 119.3021 59.4641 29.4102 179.0862 73 G 3.5208 8.1965 106.9267 47.4464 0.0000 175.5868 74 M 3.6179 7.6057 120.7794 57.7856 31.9128 178.6643 75 A 3.8089 8.2313 121.3552 55.2782 18.4838 179.7487 76 Q 3.8259 8.0259 116.5488 59.0065 28.7211 179.2019 77 S 4.1664 7.8860 116.4062 61.3952 62.8508 176.8517 78 G 3.7191 8.2177 108.6506 47.8901 0.0000 175.8529 79 G 3.5967 8.3492 108.9661 47.4060 0.0000 175.5166 80 F 3.9072 8.2509 122.9359 60.6550 39.3640 177.1410 81 L 3.8508 7.9973 119.8571 57.9723 41.9584 178.4290 82 A 2.0000 7.6652 121.0438 54.5472 17.9694 179.1756 83 F 3.9919 7.8532 118.7612 61.7607 39.5525 177.5124 84 T 4.1444 7.4499 109.8813 64.0016 68.1106 176.4882 85 S 4.0478 7.4913 117.8523 61.1406 62.9379 175.7009 86 L 4.0770 7.0963 119.1093 55.0142 41.8889 177.2866 87 W 4.7172 7.5327 115.2912 54.6626 31.4610 176.8002 88 G 3.8585 7.9259 108.3682 44.7671 0.0000 172.9250 89 F 4.7256 8.7668 120.0121 57.3432 37.9166 174.1821 90 D 4.7090 8.0189 124.7235 50.4051 41.6306 174.1447 91 P 4.3178 0.0000 0.0000 64.2535 31.1889 177.7179 92 E 3.8224 7.9502 117.1199 59.4116 30.0818 178.5199 93 I 3.7419 8.1916 119.2998 63.6454 37.2634 178.2023 94 A 3.2313 7.8919 122.3918 54.3390 17.8753 178.9407 95 K 4.1635 7.4557 114.3514 58.1916 33.2433 177.0937 96 T 4.5470 7.3125 114.8672 61.5975 68.2039 173.6038 97 K 5.1512 7.3536 115.7778 55.0881 36.9446 174.5504 98 I 4.6389 8.6167 114.8569 59.6065 41.7150 173.6474 99 V 4.9481 8.1034 120.5352 61.3313 34.3877 174.0426 100 Y 4.7922 9.1412 124.4335 55.9281 40.8590 174.8017 101 F 4.4516 9.1577 126.8011 58.9191 39.7338 174.0347 102 M 4.7734 9.4472 125.9918 57.0081 33.7857 176.2137 103 T 4.8444 7.7885 106.2108 60.6990 72.5589 172.5614 104 I 5.3195 8.1324 121.9392 60.1887 41.3580 174.2419 105 D 4.6471 9.2822 124.4276 52.6834 46.0079 174.9011 106 K 3.8306 8.3363 116.6283 57.5800 29.7590 175.7659 107 V 4.8837 7.3944 109.8753 59.4462 33.3104 176.9507 108 K 4.4044 8.3232 123.8769 54.4472 35.6170 175.0506 109 F 5.1412 8.7239 123.2356 56.4661 39.5961 175.1179 110 R 4.4898 8.9314 123.8730 57.2948 31.3872 177.8191 111 I 4.6926 7.6299 118.0440 58.3926 40.8538 173.0728 112 P 4.5164 0.0000 0.0000 62.9847 32.2045 175.5644 113 V 4.7254 8.5468 122.4700 61.7180 33.7890 174.4577 114 T 5.1071 9.0235 116.6279 58.8378 72.9296 171.3895 115 P 4.4537 0.0000 0.0000 64.6809 31.5757 177.0598 116 G 4.0212 9.2480 111.3036 45.0353 0.0000 173.3359 117 D 4.5774 7.9777 120.3122 53.7353 42.5718 175.9315 118 R 4.4932 8.3395 123.3532 54.5897 30.5582 175.0700 119 L 4.0649 8.3809 129.3952 54.4998 42.8935 174.7770 120 E 4.6952 9.3672 129.2310 55.0777 31.4239 174.1111 121 Y 5.4199 8.8711 125.2548 56.9958 40.2635 174.2789 122 H 5.2126 9.6598 122.3711 54.1353 31.4640 173.0310 123 L 5.5512 9.0617 123.5518 52.7379 45.9555 175.7620 124 E 5.2196 8.8904 119.6673 54.3902 33.3679 174.9180 125 V 4.1891 9.0021 122.7231 63.1488 31.5773 175.7063 126 L 4.3627 9.1957 129.2105 57.0821 42.3451 177.1187 127 K 4.6935 7.6552 117.9766 55.6221 35.9028 173.9886 128 H 4.7608 8.0539 117.3145 54.6644 31.0533 173.6407 129 K 3.9430 8.6595 118.9239 57.1146 35.9399 174.8864 130 G 3.8805 8.3273 114.2888 47.2404 0.0000 174.3095 131 M 4.4985 8.6711 123.7251 55.5171 32.5846 175.0104 132 I 4.9127 7.6762 121.4159 60.0345 38.5835 174.6282 133 W 4.9643 9.4556 128.0623 54.6430 32.4166 174.7461 134 Q 5.1416 9.4389 125.8680 54.6270 30.8394 174.6224 135 V 5.0688 8.9391 119.7397 59.8883 35.9137 174.9764 136 G 4.3740 8.3563 107.8660 44.8980 0.0000 173.3694 137 G 4.4261 8.0517 108.6031 46.2119 0.0000 171.1779 138 T 5.2598 8.1049 111.4257 60.1155 73.4510 172.9518 139 A 5.3774 8.9518 122.5988 50.3449 21.8097 175.3586 140 Q 5.1615 9.8912 122.1453 54.0479 33.2810 175.0270 141 V 4.4637 8.1687 121.0602 61.2279 34.5248 175.1409 142 D 4.1745 9.5415 129.5037 55.4632 39.2606 173.9893 143 G 3.9195 8.0701 103.3274 45.8487 0.0000 172.9803 144 K 4.5072 7.6726 119.7863 53.9919 34.0722 175.8589 145 V 4.0525 8.3785 123.3338 63.3647 31.8031 175.8073 146 V 4.3998 8.4621 120.1346 61.6611 33.4011 175.3452 147 A 5.5051 7.3483 119.8144 52.2908 22.3951 174.8126 148 E 5.2368 7.9916 117.1141 54.9865 34.5541 174.3772 149 A 4.7418 8.1221 120.9593 51.8943 23.5605 175.2085 150 E 5.2458 8.4633 118.0829 54.7741 33.8964 175.0800 151 L 5.1321 9.2466 122.3462 54.6357 44.6560 173.9440 152 K 5.1325 9.1605 121.1937 54.7488 35.0031 174.7708 153 A 5.3388 9.3939 128.2688 50.3392 23.2894 174.1217 154 M 5.3423 8.9657 118.1703 53.9500 35.8307 174.1811 155 I 4.9165 8.7353 126.6166 60.2343 38.5832 175.0925 156 A 4.9596 9.0834 128.4599 49.6041 22.7205 174.9873 157 E 4.3952 8.8095 119.6517 56.7275 29.9208 178.3741 158 R 3.9649 8.5989 126.4126 59.6798 30.9606 177.4879 *159 E 4.1326 7.4958 119.0478 56.0343 30.4770 178.7309 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 9 Q 8.34 4.31 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 10 S 8.45 4.66 0.00 3.96 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 11 Q 8.27 4.64 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 1.71 2.36 0.00 12 F 8.71 4.90 0.00 2.77 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 13 F 9.30 4.67 0.00 3.17 3.03 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 14 I 8.74 3.65 1.90 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 1.72 1.25 0.96 0.00 0.00 15 E 8.18 4.10 0.00 2.17 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 0.00 2.06 2.23 0.00 16 H 8.61 4.89 0.00 3.69 3.77 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.97 4.02 2.01 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.89 0.00 0.00 18 L 7.97 4.01 0.00 1.97 1.78 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.19 4.19 0.00 2.45 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 20 I 7.59 3.71 1.95 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.79 0.26 0.00 0.00 21 L 7.79 4.23 0.00 1.65 1.63 0.92 1.20 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 22 P 0.00 4.34 0.00 2.02 2.17 0.00 3.78 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 23 H 8.13 4.20 0.00 3.09 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.10 4.75 0.00 1.79 1.84 0.00 3.32 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 25 Y 8.62 4.26 0.00 2.93 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 26 P 0.00 4.00 0.00 1.59 0.52 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 27 M 8.43 4.53 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 28 L 7.87 4.43 0.00 1.64 1.64 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.31 4.85 0.00 1.73 1.84 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.64 4.56 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 0.79 0.00 0.00 0.86 0.00 0.00 31 D 8.71 4.72 0.00 2.32 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.00 4.48 0.00 1.35 0.72 0.00 3.18 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.15 0.00 33 I 8.51 4.69 2.03 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.68 0.95 0.00 0.00 34 T 8.83 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 35 E 7.91 4.88 0.00 2.04 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 2.32 2.34 0.00 36 L 8.49 5.10 0.00 1.85 1.73 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.28 4.66 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 A 8.87 3.99 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 39 N 9.17 4.62 0.00 2.94 2.96 0.00 0.00 6.84 7.31 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 40 Q 8.57 4.67 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 41 K 7.84 4.93 0.00 1.94 1.94 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.48 7.81 42 I 8.85 4.97 1.94 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 1.15 1.39 1.02 0.00 0.00 43 V 9.16 4.95 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 0.85 0.00 0.00 0.96 0.00 0.00 44 A 8.82 5.27 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 45 Y 8.04 4.66 0.00 2.84 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 46 K 8.51 4.85 0.00 2.06 1.56 0.00 1.87 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.25 1.47 7.81 47 N 9.52 4.85 0.00 2.68 2.77 0.00 0.00 6.94 7.06 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 48 I 8.58 4.53 1.91 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 1.04 0.00 0.00 49 T 9.09 4.93 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 50 F 9.02 3.95 0.00 2.91 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 N 7.92 4.81 0.00 2.78 2.89 0.00 0.00 6.98 8.50 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 52 E 8.09 4.78 0.00 2.11 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 2.38 2.57 0.00 53 D 9.02 4.36 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.36 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 0.13 0.00 0.00 0.48 0.00 0.00 55 F 7.90 4.42 0.00 2.97 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 56 N 8.27 4.63 0.00 2.78 2.88 0.00 0.00 6.71 8.51 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 57 G 7.47 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 58 H 7.61 3.41 0.00 2.76 2.75 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.07 5.17 0.00 3.13 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 60 P 0.00 4.43 0.00 2.12 2.09 0.00 4.02 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.38 0.00 61 N 9.48 4.39 0.00 2.93 2.97 0.00 0.00 6.86 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 62 K 8.06 4.61 0.00 1.79 1.79 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 63 P 0.00 4.89 0.00 1.58 2.05 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 64 I 8.95 5.01 2.17 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 1.08 0.00 0.00 65 F 9.68 4.34 0.00 3.15 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 66 P 0.00 3.82 0.00 1.59 1.49 0.00 2.50 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.00 67 G 8.48 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 0.00 0.00 0.00 68 V 7.52 3.79 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 0.89 0.00 0.00 0.77 0.00 0.00 69 L 7.54 4.03 0.00 1.03 1.31 0.39 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.58 4.14 2.33 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.38 1.23 0.00 0.00 71 V 7.93 3.71 2.33 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 1.22 0.00 0.00 1.10 0.00 0.00 72 E 8.45 4.28 0.00 2.28 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 2.33 2.41 0.00 73 G 8.20 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.61 3.62 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.73 0.00 75 A 8.23 3.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.03 3.83 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 1.96 2.41 0.00 77 S 7.89 4.17 0.00 3.94 3.91 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 78 G 8.22 3.72 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 0.00 0.00 0.00 79 G 8.35 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.25 3.91 0.00 3.19 3.13 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 81 L 8.00 3.85 0.00 1.84 1.78 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.67 2.00 0.13 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 83 F 7.85 3.99 0.00 3.08 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 84 T 7.45 4.14 4.15 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 0.69 0.00 0.00 85 S 7.49 4.05 0.00 3.71 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 86 L 7.10 4.08 0.00 0.87 0.19 1.04 1.17 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 87 W 7.53 4.72 0.00 2.37 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 88 G 7.93 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 89 F 8.77 4.73 0.00 3.19 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 90 D 8.02 4.71 0.00 2.89 2.57 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 0.00 0.00 0.00 0.00 91 P 0.00 4.32 0.00 2.05 1.89 0.00 3.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.13 0.00 92 E 7.95 3.82 0.00 1.91 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 0.00 2.23 2.35 0.00 93 I 8.19 3.74 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 -0.10 0.00 0.00 94 A 7.89 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.46 4.16 0.00 1.78 1.81 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.35 7.81 96 T 7.31 4.55 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 1.08 0.00 0.00 97 K 7.35 5.15 0.00 1.56 1.61 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.26 7.81 98 I 8.62 4.64 1.66 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.11 0.79 0.00 0.00 99 V 8.10 4.95 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 0.87 0.00 0.00 0.88 0.00 0.00 100 Y 9.14 4.79 0.00 2.95 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 0.00 101 F 9.16 4.45 0.00 3.16 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 0.00 102 M 9.45 4.77 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 103 T 7.79 4.84 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 1.26 0.00 0.00 104 I 8.13 5.32 1.81 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.48 0.91 0.00 0.00 105 D 9.28 4.65 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.34 3.83 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.38 7.81 107 V 7.39 4.88 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 0.51 0.00 0.00 0.44 0.00 0.00 108 K 8.32 4.40 0.00 1.64 1.63 0.00 1.46 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 109 F 8.72 5.14 0.00 2.98 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 0.00 110 R 8.93 4.49 0.00 1.91 2.03 0.00 3.15 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 1.64 1.65 0.00 111 I 7.63 4.69 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.96 0.00 0.00 112 P 0.00 4.52 0.00 2.15 2.12 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 113 V 8.55 4.73 2.31 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 1.09 0.00 0.00 1.05 0.00 0.00 114 T 9.02 5.11 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 1.32 0.00 0.00 115 P 0.00 4.45 0.00 2.00 2.13 0.00 3.51 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.22 0.00 116 G 9.25 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 0.00 0.00 0.00 117 D 7.98 4.58 0.00 2.76 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 0.00 118 R 8.34 4.49 0.00 1.68 1.72 0.00 2.93 0.00 0.00 2.86 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.16 0.00 119 L 8.38 4.06 0.00 1.66 1.43 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.37 4.70 0.00 1.95 1.88 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 2.13 2.33 0.00 121 Y 8.87 5.42 0.00 2.95 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 0.00 122 H 9.66 5.21 0.00 3.17 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 9.06 5.55 0.00 1.61 1.56 0.93 0.57 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 0.00 124 E 8.89 5.22 0.00 2.15 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 2.40 2.27 0.00 125 V 9.00 4.19 2.32 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 0.83 0.00 0.00 1.26 0.00 0.00 126 L 9.20 4.36 0.00 1.69 1.71 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.66 4.69 0.00 1.73 1.54 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.32 7.81 128 H 8.05 4.76 0.00 1.40 2.34 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.66 3.94 0.00 1.79 1.72 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.15 1.26 7.81 130 G 8.33 3.88 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 0.00 0.00 0.00 131 M 8.67 4.50 0.00 2.53 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.63 0.00 132 I 7.68 4.91 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.94 0.00 0.00 133 W 9.46 4.96 0.00 3.25 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 0.00 134 Q 9.44 5.14 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 135 V 8.94 5.07 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 0.79 0.00 0.00 0.98 0.00 0.00 136 G 8.36 4.37 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 0.00 137 G 8.05 4.43 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 0.00 138 T 8.10 5.26 4.38 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 1.25 0.00 0.00 139 A 8.95 5.38 1.45 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 0.00 0.00 140 Q 9.89 5.16 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 141 V 8.17 4.46 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 1.02 0.00 0.00 0.98 0.00 0.00 142 D 9.54 4.17 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.07 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 0.00 144 K 7.67 4.51 0.00 1.95 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.49 7.81 145 V 8.38 4.05 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 0.89 0.00 0.00 0.94 0.00 0.00 146 V 8.46 4.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.09 0.00 0.00 147 A 7.35 5.51 1.45 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 0.00 0.00 148 E 7.99 5.24 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 2.31 2.31 0.00 149 A 8.12 4.74 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 0.00 150 E 8.46 5.25 0.00 2.03 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 2.24 2.24 0.00 151 L 9.25 5.13 0.00 2.10 1.99 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 152 K 9.16 5.13 0.00 1.90 1.75 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.56 7.81 153 A 9.39 5.34 1.08 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 0.00 0.00 154 M 8.97 5.34 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 155 I 8.74 4.92 2.12 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 1.17 0.00 0.00 156 A 9.08 4.96 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 0.00 157 E 8.81 4.40 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 158 R 8.60 3.96 0.00 1.69 1.98 0.00 3.29 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 *159 E 7.50 4.13 0.00 1.84 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 2.18 2.58 0.00 * Residues marked with a * may have inaccurate shift predictions.