NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 S 4.3712 8.3231 115.2790 57.3850 64.6779 174.6676 25 G 3.9801 7.5140 106.0525 45.9861 0.0000 170.5699 26 L 5.0265 7.9355 119.1045 52.7652 45.1648 174.2684 27 Q 4.3922 8.0376 119.6619 54.6541 32.7031 173.1991 28 A 4.5788 8.3848 127.4784 51.3950 20.3223 175.8333 29 Y 4.6296 8.9459 123.5147 55.7383 41.2075 174.4688 30 V 4.3077 7.8385 126.3866 61.0882 34.1707 174.7681 31 D 4.6035 8.5396 128.5769 52.1938 41.0407 176.0565 32 S 4.6048 8.3835 116.1289 59.2728 64.1810 175.8239 33 Y 4.5119 8.2498 122.3445 60.7037 38.6600 176.0887 34 D 4.6053 8.5585 117.0698 54.0780 42.6950 176.8379 35 G 4.0754 10.0747 108.4763 44.8864 0.0000 171.7687 36 Y 4.5273 6.6573 114.3039 55.8359 41.6151 173.7502 37 E 5.4328 8.9876 117.7203 55.3288 33.8563 173.7768 38 F 5.6104 8.9584 114.3042 56.2235 41.8416 172.8482 39 L 5.2930 8.8342 119.8162 53.7853 43.6508 175.5848 40 Y 4.7628 8.2036 118.8210 54.8472 42.0010 172.4429 41 P 4.3785 0.0000 0.0000 62.1985 32.6451 176.0172 42 R 4.0549 7.4615 123.2316 56.8150 29.1687 176.9232 43 G 4.0995 9.1290 112.6463 45.0561 0.0000 172.6474 44 W 5.2771 7.7883 119.1605 56.1391 30.4967 176.1926 45 V 4.9431 8.9176 114.7016 59.6759 35.6562 174.5997 46 Q 4.1255 8.8761 124.0320 55.6064 29.7821 174.9642 47 V 4.2747 7.8972 125.8610 61.0465 33.8144 174.6890 48 Q 4.2744 8.5018 128.2484 54.8176 29.3953 174.7439 49 V 4.5128 7.9740 117.7177 59.3964 35.7391 174.4729 50 E 4.5446 8.1738 117.8785 54.6906 31.2164 175.4644 51 D 4.6782 8.4285 119.7788 54.4114 41.5431 174.9300 52 P 4.5546 0.0000 0.0000 63.0759 31.6515 175.3981 53 V 4.0738 7.3849 120.0885 63.4245 31.4043 174.9847 54 D 4.7632 9.4968 128.5185 56.1683 42.0460 176.8303 55 V 4.4926 7.7358 110.3472 59.3604 36.2194 174.5149 56 V 4.7571 7.9639 122.6959 61.1121 34.9668 174.0808 57 F 5.4802 8.9798 125.2425 56.0730 43.0871 173.5947 58 H 4.6661 9.2007 116.9126 53.6307 32.9729 171.8736 59 D 4.2229 7.5551 118.2816 53.4197 41.7351 176.6830 60 I 3.6742 7.7615 126.6927 64.8648 37.3732 177.6241 61 I 3.9311 8.5499 119.3212 63.9835 37.6610 177.3846 62 E 4.3841 7.9334 122.1823 54.8950 27.7648 177.0785 63 T 4.1199 7.4925 109.0889 63.2215 69.6672 176.8195 64 T 3.8845 7.8901 118.9304 66.7360 68.8695 174.3285 65 E 4.6133 8.3441 123.2401 56.4497 30.3318 176.0526 66 N 5.0186 9.0327 121.4963 51.4086 41.5959 173.5774 67 V 5.0375 8.7508 118.7387 60.2588 35.0417 174.6594 68 S 5.0076 8.7166 115.5339 57.2718 66.8680 173.0276 69 V 4.7060 8.7677 122.4205 61.1672 34.0047 174.2090 70 V 4.7248 8.7419 128.1716 61.2385 33.8782 174.4680 71 V 4.5616 8.4186 126.5550 61.2016 33.8083 174.2448 72 N 5.1998 8.6750 124.2939 51.6433 42.7852 173.5680 73 T 4.9455 8.1751 110.3020 60.7950 71.4443 173.9520 74 V 4.3917 8.5066 120.7759 61.6701 35.0946 174.2549 75 A 4.0820 8.7633 130.7086 52.5096 16.8314 177.9334 76 S 3.9311 8.6347 113.3158 59.4347 61.9647 172.5579 77 T 4.1189 7.4511 120.6086 64.7242 66.3275 174.6581 78 K 4.1970 8.9570 129.1574 56.2791 32.0237 176.3720 79 S 4.7929 7.7706 111.1493 56.1840 66.1536 174.5939 80 L 3.7283 8.1462 122.8084 57.6877 42.2752 178.9409 81 E 4.2378 8.2467 119.6094 58.2454 29.1662 178.0054 82 E 4.2795 7.4632 115.3650 57.6191 30.1422 178.1386 83 L 4.2437 7.4827 119.6187 56.2039 42.1039 176.0308 84 G 4.0248 7.0668 104.2783 43.2685 0.0000 173.6934 85 S 4.4725 8.4976 115.4471 57.2250 65.0751 173.3724 86 P 3.6018 0.0000 0.0000 65.2609 30.8001 178.5735 87 E 3.8513 7.9392 117.6669 59.3876 29.4924 178.5853 88 E 3.9376 7.9433 118.2117 59.3272 29.4542 179.5766 89 V 3.7021 8.2312 118.6832 65.8307 31.6535 177.9959 90 G 3.7235 8.6079 105.8488 48.2766 0.0000 175.0918 91 D 4.3537 8.3045 122.0297 56.9348 40.7055 179.1441 92 R 3.8448 7.6972 118.9151 59.0316 30.1425 177.8537 93 L 3.8351 8.1462 120.6811 58.5186 41.9425 179.1873 94 L 3.8322 7.7710 118.4807 57.4019 41.4319 179.2352 95 R 3.8049 8.0968 118.8182 59.4130 29.8103 177.8415 96 N 4.5188 8.1923 114.0178 54.2249 39.4609 175.4767 97 I 4.2566 7.4873 117.8224 63.1489 39.1667 177.3223 98 I 3.8193 7.7710 118.9347 63.9145 37.3675 176.8150 99 A 4.6157 7.5322 121.5756 49.7366 18.3029 173.3197 100 P 5.0340 0.0000 0.0000 60.1817 34.3154 179.7717 101 S 3.2882 8.1640 117.7540 60.4349 63.1752 175.8021 102 E 4.5301 9.2393 118.5083 54.3409 30.6455 174.4136 103 S 4.6913 8.6252 120.0829 57.0284 63.0325 175.0483 104 G 4.2392 8.5461 111.8892 44.6352 0.0000 174.7528 105 R 4.7804 7.2137 114.9166 54.7400 31.3747 176.0778 106 S 4.9976 8.6044 115.5328 57.0734 66.4177 172.4872 107 S 5.1409 8.2585 113.0503 57.4588 66.1167 173.4299 108 A 4.5805 9.1468 122.3259 50.3577 22.3836 175.0543 109 L 4.4106 8.6212 125.6536 55.2557 42.3237 176.2257 110 I 4.2118 8.9233 128.1286 63.3221 37.8201 176.0133 111 A 4.8333 7.7229 121.4048 50.5395 22.9641 174.4514 112 A 5.0250 8.3774 120.5638 50.7703 22.0609 175.3895 113 T 4.7559 9.1416 116.8740 60.8515 71.8717 172.2099 114 S 5.4461 8.5884 117.2877 56.6509 66.2953 173.0545 115 Q 4.9303 9.1680 119.4866 54.1541 33.0547 174.4062 116 K 5.7973 8.9063 118.3015 53.7615 35.4143 176.0876 117 A 4.7251 8.8191 128.9609 52.1277 23.0751 176.4126 118 D 4.2275 8.6038 122.1294 55.6604 38.7727 174.4196 119 D 5.0556 8.6413 114.0460 54.7421 40.6626 173.9250 120 K 4.5792 7.9740 119.7778 55.5448 34.4825 175.4949 121 T 4.8586 8.2338 119.9114 63.1130 69.5611 173.7003 122 Y 4.7784 8.8138 123.8454 56.7262 40.2351 174.2448 123 Y 5.4604 9.0828 121.3466 57.0436 40.2206 174.5638 124 I 5.1464 9.1838 124.8925 59.5737 40.2793 174.5383 125 L 5.2684 9.2454 127.0244 52.8393 45.3994 175.0258 126 E 5.2630 9.5217 124.6896 54.6569 32.2718 174.1523 127 Y 5.2275 8.1234 122.8517 55.9207 41.9840 173.2223 128 A 4.9102 9.0072 122.9075 50.3182 22.1843 176.0167 129 V 4.7767 8.4427 119.8229 61.5617 34.8755 174.4112 130 T 4.9737 8.6545 124.9304 61.8491 70.7766 174.1388 131 L 5.4153 7.9291 124.0687 53.3647 39.7375 173.1503 132 P 4.3385 0.0000 0.0000 63.1389 32.7306 176.8577 *138 A 3.9597 8.4764 125.9403 51.9818 18.9462 175.0396 139 Q 4.5735 8.3969 124.4080 54.8893 31.1612 174.4794 140 Q 4.6162 8.6146 125.4789 55.4249 30.7369 175.0018 141 R 5.0944 8.9676 121.4937 54.5945 34.4318 173.8783 142 H 4.9369 9.2425 121.6820 54.4162 32.7856 172.3993 143 N 5.3709 8.1896 121.2499 51.4901 43.5182 172.9889 144 L 5.1606 8.4417 121.2080 53.9296 45.9209 175.0717 145 S 5.2969 9.6968 121.3762 56.8013 67.6046 172.7401 146 S 5.3513 9.0052 116.8620 56.7062 65.3213 172.7315 147 I 5.7942 9.2271 126.8079 58.8754 40.6737 174.4334 148 A 4.6872 8.5253 125.9559 50.6416 22.5804 174.9824 149 V 4.9137 8.0902 121.7255 61.7526 32.9426 175.4700 150 S 4.5290 9.1886 119.8443 58.5216 66.0866 174.7002 151 R 3.5589 9.3397 121.2522 57.6757 27.2670 176.4906 152 G 4.0052 8.2764 100.5823 46.2693 0.0000 173.2424 153 K 4.9344 7.7629 116.7314 54.3040 37.0694 175.3852 154 V 4.6351 8.5130 123.2062 61.4508 34.1196 173.9989 155 Y 5.0716 8.9465 124.7533 56.5566 41.1362 174.6064 156 T 5.0161 8.9211 121.5596 61.7645 71.1808 173.0231 157 L 4.5676 8.2165 129.5570 53.9609 44.0048 175.6168 158 S 5.0362 8.5679 120.2207 57.2149 67.7387 173.4857 159 V 4.8904 8.6044 116.9932 59.9176 35.4669 174.6211 160 S 5.2993 8.8934 116.1062 57.5177 66.3025 172.9368 161 A 5.1582 9.0569 126.8488 49.5582 23.2614 173.9226 162 P 4.6651 0.0000 0.0000 62.4887 32.4095 177.4897 163 E 3.9684 9.0078 122.5822 59.9619 29.1846 179.5850 164 E 3.9582 8.2081 117.2536 59.4077 30.1127 178.3216 165 R 4.2382 8.0347 115.6828 56.4263 30.2892 178.0882 166 W 4.2097 8.0035 129.7373 60.2970 30.4730 175.7109 167 P 3.9603 0.0000 0.0000 65.7333 30.8359 178.4749 168 K 4.0041 7.8599 115.6489 58.6221 32.3601 178.6629 169 V 3.8645 6.9658 110.3575 61.0192 32.1645 177.3481 170 E 2.5400 7.2505 120.4736 59.2753 29.3558 178.6920 171 D 4.3008 7.6405 117.8633 57.0038 40.9152 178.4254 172 Q 3.9596 7.8463 119.7565 59.3301 29.1630 178.2216 173 F 4.2158 8.8049 119.1146 60.3640 38.8282 177.8684 174 K 4.1138 8.2903 118.4649 59.5134 31.5872 179.5502 175 T 3.8865 7.6552 115.1419 66.4990 68.7555 176.3716 176 I 3.8479 7.9275 121.8975 64.6570 36.6947 178.7651 177 V 3.6256 8.0264 119.1670 65.5695 31.1704 177.4209 178 S 4.4654 8.1176 111.9939 59.3533 63.4402 175.4538 179 S 4.5145 7.7119 116.9241 58.4333 63.3593 173.7588 180 F 4.8800 7.4501 125.5148 58.9832 39.7922 174.4139 181 T 4.5153 8.7756 122.6259 61.6267 71.9310 172.9766 182 V 4.1400 8.8727 126.5185 60.9665 33.7089 175.0465 183 Y 4.5880 7.6232 123.8830 58.3579 37.4544 175.3943 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 24 S 8.32 4.37 0.00 3.81 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 25 G 7.51 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 0.00 0.00 0.00 26 L 7.94 5.03 0.00 1.39 1.40 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.04 4.39 0.00 1.75 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 1.87 2.11 0.00 28 A 8.38 4.58 1.17 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 0.00 0.00 0.00 29 Y 8.95 4.63 0.00 2.85 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 0.00 0.00 0.00 30 V 7.84 4.31 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 0.81 0.00 0.00 0.88 0.00 0.00 31 D 8.54 4.60 0.00 1.98 1.60 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 32 S 8.38 4.60 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 33 Y 8.25 4.51 0.00 2.81 3.21 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 0.00 34 D 8.56 4.61 0.00 3.14 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 35 G 10.07 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 0.00 0.00 0.00 36 Y 6.66 4.53 0.00 2.86 2.61 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 0.00 0.00 0.00 0.00 37 E 8.99 5.43 0.00 2.17 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 0.00 2.22 2.33 0.00 38 F 8.96 5.61 0.00 3.22 3.55 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 39 L 8.83 5.29 0.00 1.59 1.57 0.91 0.59 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 40 Y 8.20 4.76 0.00 2.79 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 41 P 0.00 4.38 0.00 0.66 1.58 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.57 0.00 42 R 7.46 4.05 0.00 1.88 1.76 0.00 3.06 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.00 43 G 9.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 7.79 5.28 0.00 3.49 3.36 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 45 V 8.92 4.94 2.22 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 0.86 0.00 0.00 1.07 0.00 0.00 46 Q 8.88 4.13 0.00 1.65 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 2.01 1.73 0.00 47 V 7.90 4.27 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.58 0.00 0.00 48 Q 8.50 4.27 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 49 V 7.97 4.51 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 0.76 0.00 0.00 0.88 0.00 0.00 50 E 8.17 4.54 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 51 D 8.43 4.68 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 52 P 0.00 4.55 0.00 2.26 2.30 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 53 V 7.38 4.07 2.21 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 0.68 0.00 0.00 0.91 0.00 0.00 54 D 9.50 4.76 0.00 2.80 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 55 V 7.74 4.49 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 0.55 0.00 0.00 1.26 0.00 0.00 56 V 7.96 4.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.85 0.00 0.00 57 F 8.98 5.48 0.00 2.96 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 58 H 9.20 4.67 0.00 3.04 3.14 0.00 5.28 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 59 D 7.56 4.22 0.00 2.24 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 0.00 0.00 0.00 0.00 60 I 7.76 3.67 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.94 0.00 0.00 61 I 8.55 3.93 1.96 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 1.32 0.51 0.91 0.00 0.00 62 E 7.93 4.38 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 63 T 7.49 4.12 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 1.13 0.00 0.00 64 T 7.89 3.88 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 1.21 0.00 0.00 65 E 8.34 4.61 0.00 1.82 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 0.00 2.44 2.29 0.00 66 N 9.03 5.02 0.00 2.91 2.70 0.00 0.00 6.05 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 67 V 8.75 5.04 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 0.96 0.00 0.00 0.38 0.00 0.00 68 S 8.72 5.01 0.00 3.87 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 69 V 8.77 4.71 2.17 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 0.54 0.00 0.00 0.93 0.00 0.00 70 V 8.74 4.72 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 0.94 0.00 0.00 0.89 0.00 0.00 71 V 8.42 4.56 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 0.36 0.00 0.00 0.95 0.00 0.00 72 N 8.68 5.20 0.00 2.58 2.59 0.00 0.00 6.22 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 73 T 8.18 4.95 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 1.16 0.00 0.00 74 V 8.51 4.39 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 0.66 0.00 0.00 0.89 0.00 0.00 75 A 8.76 4.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.63 3.93 0.00 4.16 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.45 4.12 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 1.21 0.00 0.00 78 K 8.96 4.20 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.25 7.81 79 S 7.77 4.79 0.00 3.88 3.90 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 80 L 8.15 3.73 0.00 1.47 1.30 0.71 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.25 4.24 0.00 2.10 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 0.00 2.45 2.36 0.00 82 E 7.46 4.28 0.00 1.95 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 2.50 2.33 0.00 83 L 7.48 4.24 0.00 1.78 1.80 0.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.07 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 0.00 0.00 0.00 85 S 8.50 4.47 0.00 4.03 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 86 P 0.00 3.60 0.00 1.84 1.43 0.00 3.34 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.68 0.00 87 E 7.94 3.85 0.00 1.94 1.90 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 2.34 2.32 0.00 88 E 7.94 3.94 0.00 2.21 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 0.00 2.32 2.31 0.00 89 V 8.23 3.70 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 1.17 0.00 0.00 1.19 0.00 0.00 90 G 8.61 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 91 D 8.30 4.35 0.00 2.85 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 92 R 7.70 3.84 0.00 1.95 1.98 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 93 L 8.15 3.84 0.00 1.68 1.80 0.84 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.77 3.83 0.00 1.64 1.58 0.84 0.21 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 95 R 8.10 3.80 0.00 2.04 2.06 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 96 N 8.19 4.52 0.00 2.81 2.81 0.00 0.00 6.99 7.86 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 97 I 7.49 4.26 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.88 0.00 0.00 98 I 7.77 3.82 1.70 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.99 0.00 0.00 99 A 7.53 4.62 1.25 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 0.00 0.00 0.00 100 P 0.00 5.03 0.00 2.03 2.11 0.00 3.86 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 101 S 8.16 3.29 0.00 4.07 3.22 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 0.00 102 E 9.24 4.53 0.00 1.98 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 2.14 2.07 0.00 103 S 8.63 4.69 0.00 3.81 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 0.00 104 G 8.55 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 0.00 0.00 0.00 0.00 105 R 7.21 4.78 0.00 1.93 1.93 0.00 3.16 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 106 S 8.60 5.00 0.00 3.90 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 0.00 107 S 8.26 5.14 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 0.00 108 A 9.15 4.58 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 0.00 109 L 8.62 4.41 0.00 1.63 1.58 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.92 4.21 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.91 0.00 0.00 111 A 7.72 4.83 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 0.00 112 A 8.38 5.02 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 0.00 113 T 9.14 4.76 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 1.31 0.00 0.00 114 S 8.59 5.45 0.00 4.10 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 0.00 115 Q 9.17 4.93 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 116 K 8.91 5.80 0.00 1.65 1.75 0.00 1.79 0.00 0.00 2.41 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.34 7.81 117 A 8.82 4.73 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.60 4.23 0.00 2.79 2.24 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 0.00 119 D 8.64 5.06 0.00 2.68 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 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0.00 0.00 158 S 8.57 5.04 0.00 3.72 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 0.00 159 V 8.60 4.89 1.57 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 0.51 0.00 0.00 1.01 0.00 0.00 160 S 8.89 5.30 0.00 3.90 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 0.00 161 A 9.06 5.16 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 0.00 162 P 0.00 4.67 0.00 2.21 2.00 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 163 E 9.01 3.97 0.00 1.98 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 2.32 2.49 0.00 164 E 8.21 3.96 0.00 1.97 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 0.00 2.31 2.43 0.00 165 R 8.03 4.24 0.00 2.02 1.90 0.00 3.36 0.00 0.00 3.08 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 166 W 8.00 4.21 0.00 3.24 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 0.00 167 P 0.00 3.96 0.00 2.01 2.07 0.00 3.94 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 2.06 2.27 0.00 168 K 7.86 4.00 0.00 1.72 1.79 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.48 7.81 169 V 6.97 3.86 0.99 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 0.64 0.00 0.00 0.10 0.00 0.00 170 E 7.25 2.54 0.00 1.16 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 2.06 2.06 0.00 171 D 7.64 4.30 0.00 2.62 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 0.00 172 Q 7.85 3.96 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 173 F 8.80 4.22 0.00 2.95 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 0.00 174 K 8.29 4.11 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.74 7.81 175 T 7.66 3.89 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 1.20 0.00 0.00 176 I 7.93 3.85 1.85 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.83 0.00 0.00 177 V 8.03 3.63 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 1.10 0.00 0.00 0.99 0.00 0.00 178 S 8.12 4.47 0.00 4.06 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 0.00 179 S 7.71 4.51 0.00 4.17 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 0.00 180 F 7.45 4.88 0.00 3.01 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 0.00 181 T 8.78 4.52 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 182 V 8.87 4.14 1.74 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 0.08 0.00 0.00 0.20 0.00 0.00 183 Y 7.62 4.59 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.