NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3509 8.0176 117.3725 63.8207 70.9300 175.6645 5 E 3.8568 7.9307 121.6167 57.7877 30.3816 174.6319 6 E 4.0750 8.4136 121.8525 59.1149 31.1836 179.7542 7 R 4.0651 7.5585 116.0284 57.7586 29.6912 180.3536 8 L 4.7036 7.4953 117.7909 56.3272 41.4149 179.0236 9 H 4.3229 8.1618 118.6103 58.8649 28.6088 176.2075 10 Y 4.3725 8.2765 121.3033 60.8380 38.1431 178.1562 11 Q 3.5673 8.0622 120.2350 59.0872 29.2301 178.3582 12 V 3.2721 7.5991 118.9243 65.6213 31.7828 177.9992 13 G 3.5248 9.0956 106.1703 47.9606 0.0000 175.5313 14 Q 3.9083 7.8460 122.2393 58.4685 28.9246 178.4872 15 R 3.7314 7.4340 118.9948 59.1961 30.1398 178.7938 16 A 4.1186 7.7903 120.5297 54.9366 18.2024 179.5112 17 L 3.7895 7.7036 118.4124 58.4008 42.1643 179.2638 18 I 3.6659 7.4617 119.2302 64.6289 37.0732 178.5354 19 Q 3.9715 8.2828 118.5523 58.6534 28.4298 178.9644 20 A 3.9166 7.8859 121.9498 55.4138 18.3168 179.4039 21 M 4.1615 7.8091 117.2906 58.1983 32.2896 178.8657 22 Q 4.0899 8.3390 118.1901 58.9781 28.5816 178.4174 23 I 3.7295 7.8539 120.8982 64.7143 37.0387 178.4539 24 S 4.2335 8.0229 113.0317 60.1012 63.1449 175.2008 25 A 4.5919 7.8928 122.9559 51.0415 19.6827 176.7354 26 M 4.1036 7.2976 118.7473 54.5415 32.6855 175.3673 27 P 4.2282 0.0000 0.0000 65.9287 31.4261 178.4026 28 E 3.9985 8.1812 116.6425 59.3431 29.3278 179.1712 29 L 3.9062 7.6746 119.8379 57.8948 42.2997 178.7445 30 V 3.6260 8.3341 121.0507 66.7549 31.4682 178.4110 31 E 4.1047 8.5752 117.9909 61.0672 29.5796 180.5766 32 A 4.1647 7.6968 122.0028 55.1778 18.1407 179.8091 33 V 3.6397 7.8879 116.5671 66.3396 31.2327 178.3355 34 Q 4.0859 7.6421 116.4731 58.6416 28.7001 177.8397 35 K 4.3780 8.0594 118.6334 55.8414 32.4247 177.4561 36 R 3.7998 7.4250 115.1729 57.1949 27.8886 182.0185 37 D 4.7181 8.1905 117.5575 53.5570 37.8248 175.2931 38 L 3.9687 7.7879 123.0548 57.8296 42.1199 179.0690 39 A 3.9923 7.9361 120.2421 54.8804 18.1426 179.5007 40 R 3.9338 7.9920 116.9255 59.5512 30.4647 178.5103 41 I 3.7681 7.5902 119.2976 63.9006 37.3308 177.8746 42 K 3.6168 8.2023 120.5498 59.4455 31.8310 178.1176 43 A 4.2803 7.4036 116.5329 53.1010 18.7544 178.2021 44 L 4.4655 7.3101 116.1265 54.4505 42.4411 176.9625 45 I 4.3287 6.9864 118.7277 60.9310 40.2241 177.0988 46 D 4.3728 7.9074 120.1906 57.1397 40.5335 176.8110 47 P 3.6633 0.0000 0.0000 65.7413 31.3055 178.2461 48 M 3.6222 7.3488 116.5702 58.5447 31.5622 178.9153 49 R 3.8552 7.4513 119.7716 60.2740 30.4167 179.2189 50 S 4.3759 7.3406 116.5309 63.1851 62.3534 177.4364 51 F 4.6627 8.2247 119.9154 60.2959 38.9305 176.1494 52 S 4.5555 8.2097 113.3810 58.0304 63.8944 173.9582 53 D 4.5874 8.6887 119.4136 54.4866 40.7659 176.7443 54 A 2.6284 6.9232 121.4499 52.5767 18.8814 178.2479 55 T 4.2487 8.6353 118.1976 66.5839 69.7459 174.3595 56 Y 4.6515 6.8650 116.2032 56.4457 40.9125 173.2371 57 I 5.0025 8.5307 119.9148 59.9203 41.3853 175.2337 58 T 4.6914 8.6108 121.3639 62.0072 72.2145 172.9796 59 V 4.6308 8.7761 127.3393 61.5841 32.9881 174.6995 60 G 4.6175 9.5329 118.7424 45.3289 0.0000 170.7691 61 D 5.3480 8.4027 119.6622 51.4864 43.4656 173.0719 62 A 4.1169 8.7813 117.9180 55.9736 18.3467 178.4714 63 S 4.5017 8.0085 109.9059 58.1986 63.7996 175.0412 64 G 4.0055 8.1746 111.1518 45.5252 0.0000 174.7261 65 Q 4.1186 8.0093 121.6183 55.3573 28.8391 181.4797 66 R 4.8989 8.3931 121.0749 54.9600 30.4522 174.1266 67 L 4.8514 8.5392 121.1679 53.2966 42.5852 176.3203 68 Y 4.6555 7.9411 129.6926 58.4622 40.3398 172.8240 *89 I 4.0832 7.4134 109.7614 62.0732 38.6751 174.6967 90 N 4.3969 8.6706 110.2937 54.2476 39.7228 173.5664 91 A 3.8351 8.7942 123.8219 52.1393 16.3689 177.7499 92 K 4.7458 7.8524 115.6304 56.5285 36.2688 175.9843 93 S 5.0045 8.1885 116.8065 57.5865 65.2818 172.8982 94 Y 4.7334 7.4867 119.0892 56.8744 41.7398 172.3768 95 V 4.5027 8.6816 118.8544 61.3412 33.8255 174.8634 96 S 4.9080 8.9789 123.3535 57.2746 64.3173 172.8742 97 V 4.9430 8.5119 127.5734 61.8587 34.3609 175.2421 98 R 4.6404 8.9436 129.8971 55.7351 32.6036 171.8944 99 K 4.6207 9.8212 128.2765 52.9610 33.6990 171.3519 100 G 2.9832 8.9438 108.1322 44.7157 0.0000 169.4894 101 S 3.5105 8.9907 132.1000 58.7896 63.7036 172.0477 102 L 3.5597 9.4049 128.3337 55.2855 38.2205 171.2138 103 G 3.9891 7.6791 111.0480 45.2639 0.0000 171.1071 104 S 5.0196 8.2493 112.6693 56.6091 67.4073 173.0437 105 S 5.1170 8.8504 118.8711 57.4020 64.2671 173.2586 106 L 5.1143 8.8242 130.5157 53.5215 42.6288 172.1529 107 R 5.4288 8.6977 121.8899 52.0979 31.9540 175.0387 108 G 3.9408 8.5806 112.3649 45.8713 0.0000 171.3120 109 K 5.1346 8.6120 123.2833 54.4700 36.0627 175.3396 110 S 4.8249 8.8299 118.2064 56.0976 66.0945 171.5925 111 P 4.5703 0.0000 0.0000 62.5700 32.6336 175.8537 112 I 4.4578 7.9978 123.4094 60.3354 38.3657 175.0702 113 Q 5.3522 8.8961 125.8539 53.6495 31.5150 175.9182 114 D 4.8430 8.1093 120.3163 52.2330 42.0997 176.4015 115 A 3.9822 8.6991 120.6271 56.0044 18.4116 179.1320 116 T 4.0709 8.0852 103.8134 62.5394 69.3179 175.7664 117 G 3.9883 7.9240 110.7129 44.8589 0.0000 173.9141 118 K 3.9301 7.9665 120.2240 55.9083 32.4881 176.2019 119 V 3.9126 8.4217 123.5982 63.6156 30.7691 175.1717 120 I 4.2291 8.6113 121.3697 61.1547 38.4506 176.0179 121 G 4.1186 7.2925 108.9198 48.4192 0.0000 171.7975 122 I 4.4172 7.7713 117.3609 60.2679 41.6169 174.6775 123 V 5.4614 8.4817 127.1508 60.1380 35.2405 174.1943 124 S 4.9267 8.5109 120.9693 56.5674 65.4552 172.4059 125 V 4.0537 8.6691 128.8301 62.1276 32.6702 175.2356 126 G 3.8505 8.5495 115.7547 45.2248 0.0000 172.0040 127 Y 5.2552 8.3857 117.4094 57.5777 42.9000 173.9625 128 T 5.3392 8.4278 113.9256 59.8926 72.3840 174.4727 *129 I 3.9574 8.2737 119.7370 60.3165 36.2499 175.8115 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 4 T 8.02 4.35 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 1.20 0.00 0.00 5 E 7.93 3.86 0.00 2.16 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 0.00 2.27 2.36 0.00 6 E 8.41 4.08 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 7 R 7.56 4.07 0.00 1.77 1.92 0.00 3.31 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 8 L 7.50 4.70 0.00 1.81 1.74 0.94 1.08 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 9 H 8.16 4.32 0.00 3.25 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.28 4.37 0.00 3.03 2.98 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 11 Q 8.06 3.57 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 12 V 7.60 3.27 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 0.81 0.00 0.00 0.81 0.00 0.00 13 G 9.10 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 14 Q 7.85 3.91 0.00 1.77 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 15 R 7.43 3.73 0.00 1.71 1.74 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 16 A 7.79 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.70 3.79 0.00 1.86 1.81 0.91 0.80 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 18 I 7.46 3.67 1.84 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 1.49 0.69 0.90 0.00 0.00 19 Q 8.28 3.97 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 20 A 7.89 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.81 4.16 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.44 0.00 22 Q 8.34 4.09 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 23 I 7.85 3.73 1.91 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 1.56 1.07 0.86 0.00 0.00 24 S 8.02 4.23 0.00 4.14 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 25 A 7.89 4.59 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 26 M 7.30 4.10 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 27 P 0.00 4.23 0.00 2.14 2.10 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 28 E 8.18 4.00 0.00 1.98 1.98 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 2.39 2.36 0.00 29 L 7.67 3.91 0.00 1.64 1.82 0.89 0.81 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 30 V 8.33 3.63 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 0.95 0.00 0.00 0.98 0.00 0.00 31 E 8.58 4.10 0.00 1.97 1.95 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 2.25 2.20 0.00 32 A 7.70 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.89 3.64 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 1.04 0.00 0.00 0.96 0.00 0.00 34 Q 7.64 4.09 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 35 K 8.06 4.38 0.00 1.73 1.83 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.61 7.81 36 R 7.42 3.80 0.00 2.00 1.84 0.00 3.26 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 37 D 8.19 4.72 0.00 2.64 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 38 L 7.79 3.97 0.00 1.78 1.75 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.94 3.99 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 40 R 7.99 3.93 0.00 2.06 2.14 0.00 3.29 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 41 I 7.59 3.77 1.91 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 1.52 0.74 0.73 0.00 0.00 42 K 8.20 3.62 0.00 2.01 1.94 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.68 7.81 43 A 7.40 4.28 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 44 L 7.31 4.47 0.00 1.69 1.59 0.87 0.57 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 45 I 6.99 4.33 0.89 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 1.41 1.08 0.74 0.00 0.00 46 D 7.91 4.37 0.00 2.69 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 47 P 0.00 3.66 0.00 1.46 1.59 0.00 3.39 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 48 M 7.35 3.62 0.00 1.99 1.99 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 2.49 2.59 0.00 49 R 7.45 3.86 0.00 2.01 1.99 0.00 3.43 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 50 S 7.34 4.38 0.00 3.85 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 51 F 8.22 4.66 0.00 3.01 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 52 S 8.21 4.56 0.00 4.10 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 53 D 8.69 4.59 0.00 2.95 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 54 A 6.92 2.63 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 55 T 8.64 4.25 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 1.38 0.00 0.00 56 Y 6.87 4.65 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.53 5.00 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.91 0.00 0.00 58 T 8.61 4.69 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 1.29 0.00 0.00 59 V 8.78 4.63 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 1.07 0.00 0.00 0.89 0.00 0.00 60 G 9.53 4.62 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 0.00 0.00 0.00 61 D 8.40 5.35 0.00 2.36 2.54 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 62 A 8.78 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.01 4.50 0.00 3.87 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 64 G 8.17 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 65 Q 8.01 4.12 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.99 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 66 R 8.39 4.90 0.00 1.82 1.73 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 67 L 8.54 4.85 0.00 1.62 1.69 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.94 4.66 0.00 2.81 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 *89 I 7.41 4.08 2.16 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 1.38 0.78 1.23 0.00 0.00 90 N 8.67 4.40 0.00 2.65 2.72 0.00 0.00 6.86 7.96 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 91 A 8.79 3.84 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.85 4.75 0.00 1.76 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.47 7.81 93 S 8.19 5.00 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.49 4.73 0.00 3.02 3.04 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 95 V 8.68 4.50 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 0.82 0.00 0.00 0.97 0.00 0.00 96 S 8.98 4.91 0.00 4.20 3.89 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 97 V 8.51 4.94 2.12 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 0.83 0.00 0.00 0.97 0.00 0.00 98 R 8.94 4.64 0.00 1.53 1.75 0.00 3.31 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 99 K 9.82 4.62 0.00 1.53 1.61 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.00 7.81 100 G 8.94 2.98 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 0.00 101 S 8.99 3.51 0.00 4.01 3.89 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 0.00 102 L 9.40 3.56 0.00 1.85 1.54 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.68 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 0.00 0.00 0.00 104 S 8.25 5.02 0.00 3.83 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 0.00 105 S 8.85 5.12 0.00 4.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.82 5.11 0.00 1.38 1.54 0.92 0.49 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 0.00 107 R 8.70 5.43 0.00 1.73 2.07 0.00 3.10 0.00 0.00 3.40 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.41 0.00 108 G 8.58 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 0.00 109 K 8.61 5.13 0.00 0.92 1.43 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.28 7.81 110 S 8.83 4.82 0.00 3.80 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 0.00 111 P 0.00 4.57 0.00 1.99 1.98 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 112 I 8.00 4.46 1.95 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 1.22 0.68 0.95 0.00 0.00 113 Q 8.90 5.35 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 114 D 8.11 4.84 0.00 2.89 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 0.00 115 A 8.70 3.98 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 0.00 116 T 8.09 4.07 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 1.21 0.00 0.00 117 G 7.92 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 0.00 0.00 0.00 118 K 7.97 3.93 0.00 2.03 1.76 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.43 7.81 119 V 8.42 3.91 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 0.84 0.00 0.00 0.95 0.00 0.00 120 I 8.61 4.23 1.87 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 1.36 0.79 0.95 0.00 0.00 121 G 7.29 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 0.00 122 I 7.77 4.42 1.89 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 1.25 0.96 0.90 0.00 0.00 123 V 8.48 5.46 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 0.98 0.00 0.00 0.92 0.00 0.00 124 S 8.51 4.93 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.67 4.05 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 0.79 0.00 0.00 0.88 0.00 0.00 126 G 8.55 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 0.00 127 Y 8.39 5.26 0.00 3.00 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 0.00 128 T 8.43 5.34 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 1.29 0.00 0.00 *129 I 8.27 3.96 1.87 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 1.27 0.56 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.