NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 3.9870 7.9133 120.3828 62.6236 32.1297 174.1366 6 L 4.7371 8.3996 127.7682 52.9832 43.6493 174.8134 7 T 4.1958 8.7588 121.6991 65.3777 70.4775 174.7555 8 G 4.1534 7.1962 105.9621 46.0240 0.0000 172.0864 9 V 5.1174 8.3660 118.7494 59.7023 34.2245 174.7180 10 A 5.1846 9.1125 126.7066 50.2426 21.8591 175.1655 11 T 5.5489 8.2440 109.4511 59.3136 72.6743 172.9630 12 D 4.6244 8.3400 120.5941 52.8897 44.6242 175.1957 13 K 4.5684 8.7194 125.5172 56.8355 33.3418 176.9996 14 S 4.5127 8.7001 115.6882 59.4688 63.8397 173.0482 15 E 5.2027 7.8981 120.0699 54.6853 31.7800 175.4957 16 A 4.7287 8.8462 125.0123 50.9668 21.6216 175.9430 17 K 4.7600 9.0130 119.9631 54.7973 35.4628 175.5379 18 V 4.8553 8.2376 119.4876 59.8206 36.2107 174.6358 19 T 4.8965 8.3638 119.2136 61.7983 72.7173 172.8977 20 V 4.1928 8.6707 126.4646 61.1572 33.4670 174.2382 21 L 4.9062 8.6431 128.2340 53.5118 43.9918 176.9467 22 G 4.0696 8.8252 111.2253 47.5290 0.0000 173.7482 23 I 4.6123 8.0912 120.9459 60.5836 38.5286 176.5768 24 S 4.3889 9.9940 124.9116 58.8841 63.3608 174.6386 25 D 4.5749 8.1267 124.1738 52.5400 39.7949 174.6563 26 K 4.5040 7.9342 122.5762 53.5404 35.5381 173.2630 27 P 4.3369 0.0000 0.0000 64.6136 32.0115 176.2809 28 G 4.1147 9.0034 110.3035 45.8814 0.0000 175.6532 29 E 4.0081 8.2496 118.9982 59.3603 29.4182 178.8848 30 A 4.0912 8.1605 120.1422 55.2024 18.4171 179.0833 31 A 4.0698 8.2117 118.6800 55.5026 17.9602 179.7435 32 K 3.9128 8.0059 116.3072 59.6106 32.0285 179.5112 33 V 3.5952 7.4880 117.6889 66.3321 31.4297 178.1790 34 F 4.1349 8.0079 117.2885 60.0164 38.7800 177.5629 35 R 3.8882 8.5126 118.9058 59.7024 29.6234 178.3562 36 A 4.0203 7.6606 118.8814 55.1355 18.3662 179.5839 37 L 3.8977 7.6623 117.4503 57.7541 41.5717 179.6433 38 A 3.9716 8.4613 120.9742 55.4492 18.1946 179.4775 39 D 4.3227 8.4899 115.9828 56.8049 40.8210 177.8838 40 A 4.4998 7.3266 119.2734 50.8632 19.2419 176.4906 41 E 3.7297 8.1455 117.1310 58.3254 27.5816 174.7867 42 I 4.1133 7.7712 119.8358 59.8842 37.8435 175.5565 43 N 4.5784 8.6814 125.5183 52.4395 38.4439 174.2730 44 I 4.1044 7.9983 119.4932 60.8347 39.2986 173.1169 45 D 4.7807 9.4531 119.5235 55.6503 42.9401 175.7232 46 M 4.4674 8.0794 116.4080 55.5396 34.1680 175.8320 47 V 5.1894 8.0776 120.3254 61.7609 35.1201 173.8644 48 L 4.8742 9.1648 126.7650 53.2097 45.9883 175.2348 49 Q 4.4012 8.7659 124.2194 55.7120 31.4138 171.6757 50 N 4.6766 9.3160 123.3067 53.3199 41.8759 173.9655 51 V 3.7201 7.7921 117.7057 61.6662 33.6205 175.1807 52 F 5.4553 7.4512 123.3739 55.7647 43.2656 177.0375 53 S 4.3304 8.5607 120.5479 59.5073 60.9297 175.7069 *56 D 4.5366 9.3100 118.6239 52.3157 42.9475 175.9625 57 G 3.9724 8.2413 106.2594 46.4346 0.0000 172.7348 58 T 4.8853 7.6765 108.4775 59.8993 72.5465 172.2383 59 T 4.8649 9.0114 116.4505 60.8920 71.6782 171.6249 60 D 5.5180 8.7560 121.2159 52.4504 44.4765 175.9875 61 I 4.9199 8.5011 121.2232 59.8501 40.6391 174.6615 62 T 5.1549 8.9529 117.6561 59.9491 71.6100 173.3201 63 F 5.6995 8.9826 118.1920 55.7171 42.3651 173.0760 64 T 5.3362 9.1592 108.8361 59.4968 71.9541 172.5762 65 C 5.0754 8.3531 116.2178 56.5030 33.6062 171.3232 66 P 4.6166 0.0000 0.0000 62.4989 31.5832 178.0009 67 R 4.0480 8.6505 121.3578 59.5840 29.7371 179.3698 68 S 4.3134 8.0951 111.8889 60.1932 63.6461 174.8579 69 D 4.8531 8.1210 121.7480 54.1825 41.2303 178.2940 70 G 3.5337 7.6661 107.9148 47.8947 0.0000 175.8768 71 R 3.4629 7.7035 120.9483 58.7300 30.1231 178.5545 72 R 3.8508 7.8554 117.2090 59.1439 30.2649 178.5181 73 A 3.9933 8.2648 120.8975 55.6651 18.3377 179.4660 74 M 3.9990 7.9461 116.4157 58.4412 32.2154 178.3509 75 E 3.9524 7.9906 118.6417 59.2260 29.4036 179.1219 76 I 3.7200 7.6913 118.9081 64.5680 37.5164 178.2137 77 L 4.3271 7.8365 119.1846 57.8029 41.3778 179.7484 78 K 4.2277 8.5924 121.2035 59.8665 31.8004 179.5721 79 K 4.3940 8.1181 121.6107 57.8871 31.7147 179.9030 80 L 4.7793 7.5603 116.5904 55.1248 42.5794 176.2952 81 Q 3.8276 8.1267 123.2680 57.6119 29.7612 176.8093 82 V 3.1493 7.8028 120.4244 61.5766 29.4011 170.9088 *84 G 3.6956 7.3422 116.5148 44.5177 0.0000 173.1925 85 N 4.8590 7.6868 119.6858 52.7436 42.0487 174.7961 86 W 4.9011 7.3770 118.8368 56.8013 29.8785 176.3659 87 T 4.0715 9.1716 119.7740 65.6106 68.3381 174.6946 88 N 4.5963 7.1818 119.6467 53.4549 42.0465 173.5341 89 V 4.8413 8.4862 117.0910 59.6350 34.2683 175.1328 90 L 4.7720 8.6508 125.0284 53.5026 44.4735 175.0806 91 Y 5.1850 8.3179 121.6922 56.2414 41.7370 173.5159 92 D 4.6012 9.4288 127.1020 52.4623 43.6342 175.2129 93 D 4.8189 8.4145 124.1814 53.5709 42.3728 175.8195 94 Q 4.6883 8.5481 116.9654 56.0322 30.1228 174.9454 95 V 4.4616 8.1022 118.7141 62.0918 32.8864 175.1118 96 G 4.2946 9.3150 114.7981 44.2992 0.0000 172.0037 97 K 5.4079 8.6608 122.8079 53.3302 35.1262 174.8848 98 V 4.9827 8.5209 127.0060 61.3497 34.4576 174.3182 99 S 5.2375 9.0004 122.2262 56.7848 67.3781 172.5489 100 L 4.8411 9.2295 126.8477 53.9084 43.5141 175.1635 101 V 4.5656 8.4600 127.0738 61.2838 33.7185 174.9081 102 G 4.3121 8.3021 112.4425 46.8093 0.0000 171.6459 103 A 4.5791 8.9980 123.7616 51.3494 22.7806 176.7548 104 G 3.7638 8.7167 107.1571 47.1949 0.0000 174.9537 105 M 4.2145 8.1132 123.2841 57.3567 32.7856 179.9285 106 K 3.8653 8.3309 120.0631 57.7611 31.6885 182.8723 107 S 4.5542 7.9811 110.4537 58.8468 63.3867 174.3784 108 H 4.8354 7.9655 119.3480 52.9268 29.1002 172.0268 109 P 4.5595 0.0000 0.0000 64.4045 31.5719 178.3958 110 G 3.8326 8.2639 106.1711 48.0933 0.0000 175.5505 111 V 3.9145 7.7408 119.9137 66.3832 31.5807 178.3584 112 T 3.9367 7.9927 114.7370 66.4925 68.3157 176.4854 113 A 4.0832 7.9488 122.3643 55.2864 18.4674 179.6196 114 E 4.2313 9.1130 119.1943 58.6182 29.3087 179.3605 115 F 4.2112 8.8419 121.4355 61.8716 39.6535 177.2166 116 M 4.3015 8.2436 117.8700 58.3438 31.2784 178.6796 117 E 3.9842 8.5039 118.7880 59.0885 29.2812 179.1286 118 A 3.9042 7.9402 120.8606 55.3265 18.4021 179.8158 119 L 4.0292 7.6255 117.7700 57.6162 41.5554 179.9032 120 R 3.9567 7.9981 116.1789 59.1860 29.3668 178.3945 121 D 4.4235 8.0757 118.1354 55.7822 40.8652 177.5720 122 V 4.1212 6.9781 115.7722 61.3309 31.9486 174.3929 123 N 4.2035 8.1224 114.4009 55.1707 37.7965 173.8340 124 V 4.2262 7.8190 109.4969 59.3262 33.0928 175.5138 125 N 4.5846 8.5789 123.2475 52.7629 39.7314 174.0959 126 I 4.2972 8.1934 126.3344 60.4144 38.0346 175.2508 127 E 4.3259 8.7719 126.0519 58.4578 30.1451 177.2763 128 L 4.9583 7.7799 117.2750 52.9431 46.3194 175.6525 129 I 4.9848 8.1929 121.1358 59.8642 41.2936 175.2589 130 S 4.5441 8.6915 120.2733 57.7311 65.7581 173.1416 131 T 5.2712 8.2149 116.6118 60.5211 72.6916 172.1089 132 S 4.4966 8.4655 114.6131 57.6543 65.9143 175.1792 133 E 4.2834 8.6928 118.7668 58.5192 30.1367 178.5055 134 I 4.6629 7.5561 111.1507 59.1837 39.4996 175.0511 135 R 4.9092 7.7382 120.9264 55.6613 34.2411 173.3438 136 I 4.4836 8.7067 127.3763 59.6094 39.7599 174.6246 137 S 5.2137 8.4962 123.0234 56.7146 66.0991 173.8626 138 V 4.9919 8.9913 116.6100 59.5603 36.0917 174.2859 139 L 5.2410 8.7423 122.4100 53.2873 44.5330 176.0211 140 I 4.9863 8.8422 115.8376 59.2780 41.9546 174.2955 141 R 4.2639 8.5093 120.7889 56.0340 30.6060 177.7740 142 E 3.9430 9.2675 121.2121 60.0394 29.8774 179.7600 143 D 4.2620 7.4630 117.8979 56.8653 42.2911 176.8445 144 D 4.7599 8.6573 117.3505 54.3055 41.4323 178.1925 145 L 3.9680 8.2413 121.7561 58.0484 41.5070 178.6846 146 D 4.3607 8.2069 117.7561 57.8373 40.8423 179.0933 147 A 3.9507 7.9908 120.0030 54.9300 18.4097 179.4739 148 A 3.8083 8.0974 119.1405 55.1718 18.4616 179.4485 149 A 3.8362 8.3754 119.6793 55.4584 18.5153 179.5668 150 R 3.8612 8.2908 116.8474 59.7768 30.1217 178.4928 151 A 3.9670 7.9216 120.2536 55.1195 18.3244 179.6691 152 L 3.9083 7.7436 117.3986 58.0096 41.9102 178.9790 153 H 4.1653 8.4144 116.6340 59.3769 28.4994 177.6396 154 E 4.0124 8.0575 118.6041 59.1923 29.3083 178.9460 155 Q 3.8626 7.6963 118.9917 58.4593 29.1536 177.2588 156 F 4.6786 7.7100 115.1427 55.9855 40.3513 175.7450 157 Q 3.4382 8.0713 115.9543 57.5649 24.8770 171.7939 158 L 4.4809 7.3134 117.5544 52.3756 45.6363 177.8383 159 G 3.8980 8.3798 109.2831 45.5954 0.0000 173.0650 160 G 4.0311 7.6430 109.5784 44.3497 0.0000 174.4459 161 E 5.0638 8.9157 122.3209 55.6005 30.3879 177.5298 162 D 4.3732 8.3271 120.9488 56.8093 38.6807 178.0756 163 E 3.6227 7.9245 115.3853 57.4438 30.1968 181.6370 164 A 4.2604 7.0866 126.6155 51.7875 18.7282 176.5381 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 5 V 7.91 3.99 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 0.95 0.00 0.00 0.91 0.00 0.00 6 L 8.40 4.74 0.00 1.69 1.44 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.76 4.20 4.33 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 1.29 0.00 0.00 8 G 7.20 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 0.00 0.00 0.00 0.00 9 V 8.37 5.12 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 0.49 0.00 0.00 0.84 0.00 0.00 10 A 9.11 5.18 1.28 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 0.00 0.00 11 T 8.24 5.55 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 1.23 0.00 0.00 12 D 8.34 4.62 0.00 2.80 2.52 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 13 K 8.72 4.57 0.00 1.76 1.83 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.40 7.81 14 S 8.70 4.51 0.00 4.06 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 0.00 15 E 7.90 5.20 0.00 1.87 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 2.31 0.00 16 A 8.85 4.73 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.76 0.00 1.75 1.57 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.30 7.81 18 V 8.24 4.86 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 0.46 0.00 0.00 -0.13 0.00 0.00 19 T 8.36 4.90 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 1.18 0.00 0.00 20 V 8.67 4.19 1.54 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 -0.66 0.00 0.00 0.29 0.00 0.00 21 L 8.64 4.91 0.00 1.74 1.56 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.83 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 23 I 8.09 4.61 1.95 0.00 0.00 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 1.10 0.50 1.19 0.00 0.00 24 S 9.99 4.39 0.00 3.72 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 0.00 25 D 8.13 4.57 0.00 2.42 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 0.00 0.00 0.00 0.00 26 K 7.93 4.50 0.00 1.74 1.55 0.00 1.95 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.44 7.81 27 P 0.00 4.34 0.00 2.07 2.00 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 28 G 9.00 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.25 4.01 0.00 2.08 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 2.50 2.65 0.00 30 A 8.16 4.09 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 0.00 0.00 0.00 0.00 0.00 31 A 8.21 4.07 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 32 K 8.01 3.91 0.00 2.14 1.96 0.00 1.85 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.66 7.81 33 V 7.49 3.60 1.73 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 0.14 0.00 0.00 0.79 0.00 0.00 34 F 8.01 4.13 0.00 3.13 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 35 R 8.51 3.89 0.00 2.12 1.98 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 36 A 7.66 4.02 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 37 L 7.66 3.90 0.00 1.74 1.66 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.46 3.97 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 39 D 8.49 4.32 0.00 2.59 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 40 A 7.33 4.50 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 41 E 8.15 3.73 0.00 2.12 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 2.25 2.26 0.00 42 I 7.77 4.11 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.97 0.00 0.00 43 N 8.68 4.58 0.00 2.69 2.77 0.00 0.00 7.21 7.94 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 44 I 8.00 4.10 2.08 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.84 0.00 0.00 45 D 9.45 4.78 0.00 2.64 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 46 M 8.08 4.47 0.00 2.07 2.02 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 2.65 2.50 0.00 47 V 8.08 5.19 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 0.97 0.00 0.00 0.86 0.00 0.00 48 L 9.16 4.87 0.00 1.67 1.51 0.94 0.68 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 49 Q 8.77 4.40 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 50 N 9.32 4.68 0.00 2.65 2.52 0.00 0.00 7.12 7.71 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 51 V 7.79 3.72 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 0.76 0.00 0.00 0.85 0.00 0.00 52 F 7.45 5.46 0.00 3.10 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 53 S 8.56 4.33 0.00 3.97 3.45 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 *56 D 9.31 4.54 0.00 2.76 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 57 G 8.24 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 0.00 0.00 0.00 58 T 7.68 4.89 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 1.30 0.00 0.00 59 T 9.01 4.86 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 60 D 8.76 5.52 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 69 D 8.12 4.85 0.00 2.91 2.75 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 0.00 0.00 0.00 70 G 7.67 3.53 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 0.00 71 R 7.70 3.46 0.00 1.90 1.90 0.00 3.29 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 72 R 7.86 3.85 0.00 1.95 1.95 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 73 A 8.26 3.99 1.47 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 0.00 0.00 74 M 7.95 4.00 0.00 1.75 1.76 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 75 E 7.99 3.95 0.00 2.20 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 0.00 2.32 2.51 0.00 76 I 7.69 3.72 2.02 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 1.53 0.35 0.93 0.00 0.00 77 L 7.84 4.33 0.00 1.88 1.70 0.91 0.82 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 78 K 8.59 4.23 0.00 1.96 1.91 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 79 K 8.12 4.39 0.00 1.87 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 80 L 7.56 4.78 0.00 1.97 1.55 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.13 3.83 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 82 V 7.80 3.15 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 0.75 0.00 0.00 0.93 0.00 0.00 *84 G 7.34 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 0.00 0.00 0.00 85 N 7.69 4.86 0.00 2.82 2.82 0.00 0.00 5.92 8.88 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 86 W 7.38 4.90 0.00 3.49 3.14 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 0.00 87 T 9.17 4.07 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 1.25 0.00 0.00 88 N 7.18 4.60 0.00 2.85 2.67 0.00 0.00 7.00 7.71 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 89 V 8.49 4.84 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 0.86 0.00 0.00 0.93 0.00 0.00 90 L 8.65 4.77 0.00 1.55 1.54 0.90 0.40 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 91 Y 8.32 5.18 0.00 2.72 2.75 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 0.00 0.00 0.00 92 D 9.43 4.60 0.00 2.60 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 93 D 8.41 4.82 0.00 2.17 2.37 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 94 Q 8.55 4.69 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 95 V 8.10 4.46 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 0.96 0.00 0.00 96 G 9.32 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 0.00 0.00 0.00 0.00 97 K 8.66 5.41 0.00 1.84 1.65 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.20 7.81 98 V 8.52 4.98 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 1.07 0.00 0.00 0.99 0.00 0.00 99 S 9.00 5.24 0.00 3.79 3.68 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 0.00 100 L 9.23 4.84 0.00 1.94 1.60 0.68 -0.16 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 0.00 101 V 8.46 4.57 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 0.92 0.00 0.00 0.92 0.00 0.00 102 G 8.30 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 0.00 0.00 0.00 0.00 103 A 9.00 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 0.00 104 G 8.72 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 0.00 105 M 8.11 4.21 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 106 K 8.33 3.87 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.02 7.81 107 S 7.98 4.55 0.00 3.89 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 0.00 108 H 7.97 4.84 0.00 3.18 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.56 0.00 2.28 2.31 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 110 G 8.26 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 0.00 0.00 0.00 111 V 7.74 3.91 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 0.98 0.00 0.00 0.98 0.00 0.00 112 T 7.99 3.94 4.27 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 1.18 0.00 0.00 113 A 7.95 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.11 4.23 0.00 2.44 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 2.29 2.39 0.00 115 F 8.84 4.21 0.00 3.47 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 0.00 116 M 8.24 4.30 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.19 0.00 117 E 8.50 3.98 0.00 2.06 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 0.00 2.33 2.43 0.00 118 A 7.94 3.90 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 0.00 119 L 7.63 4.03 0.00 1.66 1.88 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.00 3.96 0.00 2.08 2.19 0.00 2.76 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 121 D 8.08 4.42 0.00 2.85 2.74 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 0.00 122 V 6.98 4.12 2.19 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 0.84 0.00 0.00 0.90 0.00 0.00 123 N 8.12 4.20 0.00 2.83 2.84 0.00 0.00 7.05 7.52 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 0.00 124 V 7.82 4.23 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 0.76 0.00 0.00 0.97 0.00 0.00 125 N 8.58 4.58 0.00 2.66 2.71 0.00 0.00 7.11 7.94 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 0.00 126 I 8.19 4.30 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.96 0.00 0.00 127 E 8.77 4.33 0.00 2.08 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 2.29 0.00 128 L 7.78 4.96 0.00 1.58 1.49 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.19 4.98 1.84 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 1.21 0.60 0.81 0.00 0.00 130 S 8.69 4.54 0.00 3.86 3.63 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 0.00 131 T 8.21 5.27 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 1.05 0.00 0.00 132 S 8.47 4.50 0.00 3.94 3.95 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 0.00 133 E 8.69 4.28 0.00 1.93 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 2.38 2.30 0.00 134 I 7.56 4.66 1.93 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 1.07 1.66 0.89 0.00 0.00 135 R 7.74 4.91 0.00 1.89 1.70 0.00 3.01 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 136 I 8.71 4.48 1.47 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.40 -0.42 0.00 0.00 137 S 8.50 5.21 0.00 3.93 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 0.00 138 V 8.99 4.99 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 1.00 0.00 0.00 1.17 0.00 0.00 139 L 8.74 5.24 0.00 1.57 1.54 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.84 4.99 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.97 0.00 0.00 141 R 8.51 4.26 0.00 1.98 1.88 0.00 3.28 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 142 E 9.27 3.94 0.00 2.16 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 0.00 2.42 2.25 0.00 143 D 7.46 4.26 0.00 2.66 2.69 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 0.00 144 D 8.66 4.76 0.00 2.84 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 0.00 145 L 8.24 3.97 0.00 1.92 1.73 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.21 4.36 0.00 2.75 2.74 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 0.00 147 A 7.99 3.95 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 0.00 148 A 8.10 3.81 1.41 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 0.00 0.00 149 A 8.38 3.84 1.41 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 0.00 0.00 150 R 8.29 3.86 0.00 1.88 2.05 0.00 3.09 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 1.62 1.66 0.00 151 A 7.92 3.97 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 0.00 152 L 7.74 3.91 0.00 1.77 1.76 0.67 0.39 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 0.00 153 H 8.41 4.17 0.00 3.32 3.37 0.00 5.62 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 0.00 154 E 8.06 4.01 0.00 2.04 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 2.33 2.42 0.00 155 Q 7.70 3.86 0.00 1.81 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 156 F 7.71 4.68 0.00 3.12 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 0.00 157 Q 8.07 3.44 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 158 L 7.31 4.48 0.00 1.83 1.57 1.00 0.93 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 0.00 159 G 8.38 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 0.00 0.00 0.00 160 G 7.64 4.03 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 0.00 0.00 0.00 161 E 8.92 5.06 0.00 2.06 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 2.60 2.32 0.00 162 D 8.33 4.37 0.00 2.78 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 0.00 163 E 7.92 3.62 0.00 2.03 1.82 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 2.26 2.14 0.00 164 A 7.09 4.26 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 * Residues marked with a * may have inaccurate shift predictions.