NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3910 0.0000 0.0000 62.2755 32.3657 177.9374 8 V 3.5061 8.8425 112.7370 60.9439 32.8753 174.7796 9 K 4.6658 8.0386 121.4787 54.0031 36.1140 176.5946 10 P 4.5463 0.0000 0.0000 65.0013 32.5668 175.1918 11 Y 4.5970 7.4865 117.7239 55.9583 40.5452 174.7649 12 D 4.6526 8.4209 123.7520 52.8187 44.9617 173.6636 13 L 5.4158 8.8468 125.3906 53.1180 45.1714 175.6650 14 T 4.7187 9.5384 114.6019 59.9117 71.2433 173.2489 15 V 5.1611 8.5754 124.9742 61.0869 34.2398 174.6269 16 S 4.7777 8.9444 121.3568 56.5361 66.1513 172.8940 17 V 4.6912 8.3203 122.7246 61.3017 34.2247 174.7847 18 T 4.4984 8.4673 124.5918 60.9830 70.3173 171.9581 19 P 5.1964 0.0000 0.0000 62.7271 33.0712 175.9171 20 R 4.6713 8.3841 113.6616 55.4299 32.8021 173.8580 21 Y 4.0067 9.0649 124.3477 57.6581 39.7203 175.5354 22 V 3.9213 7.0299 123.9021 60.3293 33.0736 174.2929 23 P 4.0628 0.0000 0.0000 65.1527 31.5846 178.8683 24 E 3.9958 8.0869 116.7441 59.0264 29.3949 177.6705 25 Q 4.5393 7.5018 115.3249 55.7852 29.2173 174.6216 26 S 4.7512 7.8789 113.1722 57.9371 66.2527 174.3869 27 D 4.5742 8.6782 122.1574 51.6622 41.6644 173.8824 28 P 3.4860 0.0000 0.0000 64.6937 31.6693 179.6033 29 S 4.1242 8.0383 114.3786 60.8153 62.7927 174.5601 30 Q 4.5135 7.5450 119.5956 55.4038 29.3770 174.7370 31 Q 3.6076 7.9762 112.8237 57.0694 26.6628 173.8024 32 Q 4.8391 7.6328 118.4817 54.4598 29.9773 173.7260 33 Y 4.9287 9.1692 122.0253 56.0125 40.6354 174.7867 34 V 4.6061 8.5211 125.0795 61.3194 33.7693 174.6281 35 F 5.3010 9.2954 126.3696 55.8081 42.5201 174.8008 36 A 5.2011 9.2918 121.9085 50.6205 22.0310 174.5432 37 Y 4.9481 8.9451 121.3782 55.8264 40.8940 174.8712 38 T 4.6991 8.2900 119.2476 61.8259 71.0748 173.5331 39 V 4.6541 8.6221 127.1192 61.4552 34.2679 175.0714 40 R 4.8336 8.9331 125.0981 54.6595 33.1834 173.8500 41 I 4.8784 9.0870 126.2017 60.4579 39.1795 175.3764 42 T 5.0009 9.2243 123.1428 61.6439 72.5958 172.6586 43 N 4.8952 9.1534 126.2655 53.7403 39.5698 174.8102 44 T 4.4247 8.9899 116.4957 61.4932 69.8113 174.4274 45 G 4.1216 7.8691 109.9788 45.0876 0.0000 174.0685 46 S 4.4607 9.0700 113.6052 59.8395 64.0002 173.5908 47 H 5.2692 7.6479 116.3553 53.0057 32.3552 171.6918 48 P 5.0137 0.0000 0.0000 63.2236 32.7017 175.3662 49 A 4.9003 8.8022 122.0968 50.9873 23.2419 174.9704 50 Q 5.5261 9.2452 120.5474 53.2902 32.3054 174.4390 51 V 3.6874 8.0359 125.0190 62.4263 32.6476 174.5420 52 I 4.3183 8.9435 129.2305 61.2763 38.4723 176.2133 53 S 5.2474 7.7138 114.3376 56.4727 67.2116 172.2735 54 R 5.1021 8.5327 115.1461 54.6381 32.8638 173.6749 55 H 5.1346 9.1871 121.7487 54.2177 33.1771 172.0958 56 W 5.7080 9.3607 124.8752 55.0884 33.0919 174.6672 57 I 4.6567 9.1899 124.5021 59.6704 39.5662 174.6407 58 I 4.4551 8.6291 122.3419 59.2144 39.4638 174.7770 59 T 4.9323 8.3112 117.6007 59.7822 71.3345 174.2688 60 D 4.5797 8.4262 123.8937 53.3039 42.1378 177.2613 61 G 3.7144 8.3962 110.5840 47.3327 0.0000 174.3543 62 E 4.4924 7.5407 118.4163 55.8548 29.8812 175.4946 63 E 3.6008 7.9230 117.2900 57.2628 28.6175 174.4403 64 R 4.3938 7.6855 117.0141 54.3083 30.9003 175.9627 65 V 4.3193 8.2147 124.3829 62.7743 32.7692 175.2699 66 Q 4.7019 8.9589 124.2725 54.3577 33.1931 173.7938 67 E 5.3103 8.8989 121.3653 54.5973 33.3193 175.3979 68 V 4.6605 8.7218 121.7989 61.3704 34.9998 174.5429 69 R 5.1463 8.4796 125.0088 55.0007 34.4110 174.6189 70 G 4.0843 8.1033 107.9170 46.3053 0.0000 171.4409 71 L 4.8739 8.6296 119.2524 53.7182 44.0014 177.9659 72 G 3.7877 9.4066 114.8903 44.9460 0.0000 173.1035 73 V 4.0381 8.1778 112.2064 60.0795 33.6944 176.9394 74 V 3.4119 9.0552 126.2535 62.9582 29.6645 173.0983 75 G 3.9765 8.1032 100.4345 47.0005 0.0000 172.2158 76 Q 4.6172 7.7152 116.6152 54.4131 33.0957 174.1428 77 Q 4.3479 8.2256 117.2771 52.0255 29.2216 172.4560 78 P 4.2116 0.0000 0.0000 62.5988 33.1278 176.1415 79 L 4.6217 8.4447 125.6688 53.8834 42.5191 175.0397 80 L 4.6972 8.9675 127.8326 53.5074 43.1661 176.8835 81 A 4.5962 9.9869 127.2109 50.5505 19.9921 175.0291 82 P 5.1324 0.0000 0.0000 63.9505 31.4857 176.4471 83 G 4.0122 9.3553 112.3704 44.8895 0.0000 173.3126 84 E 4.6222 8.1283 118.0366 55.8829 31.6459 175.5258 85 T 5.3197 8.3139 109.1951 60.0304 72.5647 172.9854 86 F 4.9171 9.3304 124.4070 56.5935 42.7357 173.1207 87 E 5.8792 8.6128 123.2899 54.2184 32.5456 173.9230 88 Y 5.0559 8.2887 119.7933 55.6655 42.4998 173.5259 89 T 4.6739 8.4494 108.7288 59.9683 71.6349 172.9939 90 S 4.7187 7.9890 119.1455 56.3191 66.4725 172.6187 91 G 4.5012 8.5941 109.4121 45.1609 0.0000 173.3583 92 C 4.9003 9.1548 121.4432 57.0469 34.3270 171.1763 93 P 5.3918 0.0000 0.0000 62.4854 32.5146 175.4357 94 L 4.9803 9.5355 121.1062 53.0888 46.2679 174.9793 95 P 5.6091 0.0000 0.0000 62.8711 30.9107 175.7567 96 T 4.5786 7.4596 109.4984 58.9111 71.5804 173.0946 97 P 3.3506 0.0000 0.0000 64.1489 31.7074 175.9212 98 I 4.9517 6.5957 111.3524 59.0844 40.6876 174.1307 99 G 3.8540 7.9110 108.4161 46.7131 0.0000 171.5440 100 T 5.1454 7.4036 110.2279 58.7842 72.0955 173.2117 *102 R 4.3809 8.4946 115.8774 57.3691 31.4576 175.4672 103 G 3.7552 8.1265 104.6833 46.8837 0.0000 171.9194 104 T 4.8598 8.0703 115.5199 62.0434 73.4587 172.7523 105 Y 5.1222 8.3137 122.2661 56.6399 40.8567 174.3064 106 H 4.9475 9.1873 121.8517 54.6816 30.8623 174.1094 107 C 4.9883 8.4623 120.3365 58.0105 32.9064 173.1163 108 V 4.4069 8.1550 111.7664 59.9991 35.9498 175.7568 109 G 3.7403 8.5353 112.3333 45.4116 0.0000 174.1979 110 E 4.3121 8.8015 118.3328 58.1950 29.9357 177.6540 111 N 4.6424 7.7988 115.8772 52.5885 37.4567 176.1571 112 G 4.0578 8.1119 109.7375 46.0277 0.0000 174.6532 113 I 3.7724 7.6063 114.8288 59.9329 37.8641 174.0081 114 P 4.9708 0.0000 0.0000 62.9290 32.3718 175.1837 115 F 4.9933 8.5291 114.2257 56.1453 41.5259 172.4745 116 E 5.0485 9.0148 119.5843 54.6484 32.0265 176.1399 117 V 4.5405 8.4016 124.1462 59.0189 33.0861 173.1988 118 P 4.5423 0.0000 0.0000 62.9597 32.6141 176.1530 119 I 4.4346 8.6859 123.4741 59.2705 38.8681 174.8340 120 A 4.2874 8.8375 128.9110 52.1198 18.7995 176.7017 121 E 3.8415 8.9857 123.4750 56.1925 30.2799 175.9317 122 F 5.0417 7.8020 119.8649 54.7871 41.0645 173.6932 123 L 4.7436 8.2885 120.5207 53.7451 43.3991 176.3838 124 L 4.6975 8.6933 121.1231 53.1734 45.3152 174.1892 125 A 5.8447 9.1564 130.5053 52.3822 26.3000 174.2185 *127 P 4.1571 0.0000 0.0000 64.2849 31.7097 176.4389 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 7 P 0.00 4.39 0.00 2.18 1.96 0.00 3.73 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 1.87 1.95 0.00 8 V 8.84 3.51 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 0.67 0.00 0.00 0.87 0.00 0.00 9 K 8.04 4.67 0.00 1.64 1.64 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 P 0.00 4.55 0.00 1.51 2.12 0.00 3.71 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 1.97 1.78 0.00 11 Y 7.49 4.60 0.00 2.45 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 0.00 0.00 0.00 12 D 8.42 4.65 0.00 2.69 2.43 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 13 L 8.85 5.42 0.00 1.73 1.65 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.54 4.72 4.30 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 1.26 0.00 0.00 15 V 8.58 5.16 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 1.08 0.00 0.00 1.23 0.00 0.00 16 S 8.94 4.78 0.00 3.90 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 17 V 8.32 4.69 1.20 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 0.53 0.00 0.00 0.95 0.00 0.00 18 T 8.47 4.50 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 1.21 0.00 0.00 19 P 0.00 5.20 0.00 2.25 2.28 0.00 3.74 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 20 R 8.38 4.67 0.00 1.90 2.09 0.00 2.80 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 21 Y 9.06 4.01 0.00 2.82 2.87 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 0.00 0.00 0.00 22 V 7.03 3.92 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 0.78 0.00 0.00 0.85 0.00 0.00 23 P 0.00 4.06 0.00 2.23 2.23 0.00 3.57 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 2.20 2.44 0.00 24 E 8.09 4.00 0.00 1.87 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 2.29 2.27 0.00 25 Q 7.50 4.54 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 26 S 7.88 4.75 0.00 3.60 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 27 D 8.68 4.57 0.00 2.56 2.38 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 28 P 0.00 3.49 0.00 2.28 2.19 0.00 3.69 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 2.03 2.00 0.00 29 S 8.04 4.12 0.00 4.18 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 30 Q 7.55 4.51 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 31 Q 7.98 3.61 0.00 2.39 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 32 Q 7.63 4.84 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 33 Y 9.17 4.93 0.00 3.36 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 34 V 8.52 4.61 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 0.94 0.00 0.00 0.91 0.00 0.00 35 F 9.30 5.30 0.00 3.25 3.08 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 36 A 9.29 5.20 1.21 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 0.00 0.00 37 Y 8.95 4.95 0.00 2.94 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 38 T 8.29 4.70 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 39 V 8.62 4.65 1.51 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 1.27 0.00 0.00 0.87 0.00 0.00 40 R 8.93 4.83 0.00 1.89 1.85 0.00 3.26 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 41 I 9.09 4.88 2.02 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.93 0.00 0.00 42 T 9.22 5.00 4.30 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 1.25 0.00 0.00 43 N 9.15 4.90 0.00 2.89 2.91 0.00 0.00 6.38 7.07 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 44 T 8.99 4.42 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 1.28 0.00 0.00 45 G 7.87 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.07 4.46 0.00 3.61 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 47 H 7.65 5.27 0.00 2.76 3.37 0.00 5.85 0.00 0.00 0.00 0.00 6.84 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 5.01 0.00 2.16 2.03 0.00 4.02 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 2.17 2.14 0.00 49 A 8.80 4.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 9.25 5.53 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 51 V 8.04 3.69 1.69 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 0.42 0.00 0.00 0.63 0.00 0.00 52 I 8.94 4.32 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.00 0.83 0.00 0.00 53 S 7.71 5.25 0.00 4.00 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 54 R 8.53 5.10 0.00 1.61 2.17 0.00 3.03 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 55 H 9.19 5.13 0.00 3.13 3.01 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 9.36 5.71 0.00 3.36 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 9.19 4.66 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.46 0.88 0.00 0.00 58 I 8.63 4.46 1.66 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.72 0.00 0.00 59 T 8.31 4.93 4.16 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 0.00 0.00 1.13 0.00 0.00 60 D 8.43 4.58 0.00 3.01 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 61 G 8.40 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 62 E 7.54 4.49 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 63 E 7.92 3.60 0.00 2.07 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 0.00 2.19 2.28 0.00 64 R 7.69 4.39 0.00 1.79 1.87 0.00 3.55 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 65 V 8.21 4.32 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 0.76 0.00 0.00 0.91 0.00 0.00 66 Q 8.96 4.70 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 67 E 8.90 5.31 0.00 1.86 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 2.25 2.30 0.00 68 V 8.72 4.66 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 1.27 0.00 0.00 1.05 0.00 0.00 69 R 8.48 5.15 0.00 1.70 1.76 0.00 3.27 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 70 G 8.10 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 71 L 8.63 4.87 0.00 1.49 1.53 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 72 G 9.41 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 0.00 0.00 0.00 73 V 8.18 4.04 1.52 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 0.81 0.00 0.00 0.28 0.00 0.00 74 V 9.06 3.41 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 0.74 0.00 0.00 0.93 0.00 0.00 75 G 8.10 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 76 Q 7.72 4.62 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 77 Q 8.23 4.35 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 78 P 0.00 4.21 0.00 2.00 2.03 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.45 0.00 79 L 8.44 4.62 0.00 1.66 1.66 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.97 4.70 0.00 1.64 1.63 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 A 9.99 4.60 1.29 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 0.00 0.00 0.00 82 P 0.00 5.13 0.00 2.17 2.18 0.00 3.35 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 83 G 9.36 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 84 E 8.13 4.62 0.00 2.12 2.13 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 2.51 2.31 0.00 85 T 8.31 5.32 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 86 F 9.33 4.92 0.00 3.10 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.61 5.88 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 88 Y 8.29 5.06 0.00 3.05 2.97 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 89 T 8.45 4.67 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 1.13 0.00 0.00 90 S 7.99 4.72 0.00 4.02 3.28 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 91 G 8.59 4.50 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 0.00 0.00 0.00 92 C 9.15 4.90 0.00 2.96 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 93 P 0.00 5.39 0.00 2.19 2.09 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 94 L 9.54 4.98 0.00 1.82 1.71 0.72 1.02 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 P 0.00 5.61 0.00 2.26 2.24 0.00 3.56 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.95 0.00 96 T 7.46 4.58 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 97 P 0.00 3.35 0.00 2.00 1.87 0.00 3.36 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 98 I 6.60 4.95 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.84 0.00 0.00 99 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.40 5.15 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 1.07 0.00 0.00 *102 R 8.49 4.38 0.00 1.94 2.06 0.00 2.97 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 103 G 8.13 3.76 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 0.00 0.00 0.00 104 T 8.07 4.86 4.09 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 1.05 0.00 0.00 105 Y 8.31 5.12 0.00 2.98 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.19 4.95 0.00 2.97 3.13 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.46 4.99 0.00 1.43 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.41 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 0.50 0.00 0.00 0.87 0.00 0.00 109 G 8.54 3.74 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 0.00 0.00 0.00 110 E 8.80 4.31 0.00 2.04 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 0.00 2.56 2.38 0.00 111 N 7.80 4.64 0.00 2.94 3.06 0.00 0.00 6.99 6.88 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 0.00 112 G 8.11 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 0.00 113 I 7.61 3.77 1.85 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 1.59 0.37 0.89 0.00 0.00 114 P 0.00 4.97 0.00 2.04 2.01 0.00 3.77 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 1.97 1.93 0.00 115 F 8.53 4.99 0.00 3.10 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 0.00 116 E 9.01 5.05 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 117 V 8.40 4.54 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 0.99 0.00 0.00 1.16 0.00 0.00 118 P 0.00 4.54 0.00 2.11 2.11 0.00 3.80 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 2.03 2.04 0.00 119 I 8.69 4.43 1.99 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.74 1.22 0.00 0.00 120 A 8.84 4.29 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 0.00 121 E 8.99 3.84 0.00 1.89 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 2.18 2.10 0.00 122 F 7.80 5.04 0.00 3.18 3.08 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 0.00 123 L 8.29 4.74 0.00 1.53 1.57 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.69 4.70 0.00 1.02 0.24 0.42 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 125 A 9.16 5.84 0.97 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 *127 P 0.00 4.16 0.00 2.24 2.15 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.