NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9212 8.2127 109.7359 45.6623 0.0000 175.8761 0 S 4.0454 8.0044 114.6174 60.7822 62.4749 173.9956 1 M 4.2871 7.8742 118.2720 56.4826 33.0389 176.2115 2 S 4.6413 7.8734 110.9288 57.8046 64.9691 173.4108 3 C 4.7948 8.1179 122.2659 56.6489 33.8759 174.8268 4 V 3.6881 8.4819 127.5863 64.9981 30.9569 178.4105 5 F 4.5161 8.1008 118.0238 60.4818 38.7866 177.2289 6 C 4.2032 8.3560 115.7884 62.8666 27.9969 175.8312 7 A 4.1043 8.2889 123.8014 54.6689 17.9711 179.8018 8 I 3.8327 7.9247 118.2540 64.5564 36.9839 178.7095 9 V 3.6142 7.6741 117.8122 66.1985 31.4606 177.6790 10 S 4.4195 8.2848 112.1714 58.6024 62.7395 174.6906 11 G 3.8917 7.8834 109.7227 46.7248 0.0000 174.2150 12 D 4.7593 8.5760 117.9621 53.7619 41.7336 176.3867 13 A 4.7445 7.4604 120.9099 49.5678 22.2798 174.1354 14 P 4.4950 0.0000 0.0000 62.8294 32.3443 175.6329 15 A 4.4636 7.9541 120.6962 51.2525 21.9326 176.2654 16 I 4.2141 8.1664 121.6399 60.4267 38.1265 175.0904 17 R 4.8734 8.5042 126.9844 55.2489 30.6543 176.6442 18 I 4.5593 8.9050 115.9665 61.0228 39.9527 174.9586 19 Y 4.8309 7.7947 122.9284 56.4707 42.3488 173.2300 20 E 4.9955 7.4585 124.7701 55.0604 32.2209 173.7699 21 D 4.7485 8.8470 126.9274 52.4811 42.4010 176.0824 22 E 4.2479 8.9886 113.5265 58.6818 29.8872 173.0703 23 N 4.7753 8.8155 113.4300 52.9183 41.0075 173.9769 24 F 5.4838 7.9612 116.5466 55.4899 43.9383 173.4927 25 L 5.2202 9.2965 123.3648 53.3158 45.3280 175.1407 26 G 4.6176 9.5098 114.0807 44.5054 0.0000 172.3799 27 I 5.2354 8.4794 117.9388 58.6827 41.6825 174.5663 28 L 4.6377 8.5064 123.5118 54.3490 42.0707 176.9015 29 D 4.5625 8.7298 124.1192 54.5107 41.3086 176.5595 30 I 3.9754 8.6921 120.0554 63.1266 38.6162 176.9480 31 R 4.8413 8.7052 119.1692 52.5145 29.4594 178.2122 32 P 4.6972 0.0000 0.0000 62.3206 32.6700 177.9021 33 F 4.0204 9.5338 121.2096 60.1678 39.3537 175.3218 34 T 4.7665 7.6285 108.2118 59.3515 71.8442 173.0302 35 R 4.1279 8.3916 121.6461 57.8430 30.3283 177.4674 36 G 3.8826 8.9918 110.8431 44.9684 0.0000 172.3262 37 H 4.4543 8.2591 120.7559 57.2253 30.8410 174.1042 38 T 5.1034 9.2859 122.8370 61.7414 72.1386 173.0261 39 L 5.0652 8.9413 125.1786 53.0524 44.5001 175.4518 40 V 4.6094 8.9774 124.3160 61.4119 33.4904 174.4600 41 I 4.8927 8.8757 128.9804 58.6693 40.0509 173.3445 42 P 4.6539 0.0000 0.0000 62.7946 31.1876 177.3031 43 K 4.1950 8.8882 124.0756 59.2894 32.6875 177.9462 44 T 4.1016 7.6972 116.7563 62.8768 69.1639 173.6735 45 H 4.0519 8.7646 126.5348 55.8207 30.0728 174.1562 46 T 4.7017 7.8466 115.9137 59.9061 72.1301 174.9296 47 V 3.9410 9.0769 121.9536 64.8760 32.2473 175.0635 48 D 4.6049 8.4955 117.8616 52.8357 41.3224 175.2428 49 L 4.1118 8.5460 118.2878 57.8671 41.7664 178.5962 50 T 4.1006 8.3142 108.9904 63.5747 68.9182 174.9162 51 D 4.8478 7.8501 118.5338 52.7630 40.3195 175.0307 52 T 4.5028 7.7068 116.7163 61.3152 70.1204 172.8567 53 P 4.3971 0.0000 0.0000 62.0454 32.2826 175.5238 54 P 4.2968 0.0000 0.0000 66.0058 31.1958 178.8563 55 E 4.1344 8.2131 116.7790 59.6073 29.2667 179.4876 56 T 4.1176 7.9737 115.9159 66.5594 68.6062 176.9019 57 V 3.5863 7.8948 119.4579 65.9875 31.5978 177.4742 58 A 4.0731 8.4935 120.9247 55.4006 18.2370 179.9405 59 G 3.5281 8.2211 104.0548 47.9515 0.0000 175.4582 60 M 3.1966 8.1841 120.6841 58.1980 32.1158 178.2161 61 A 3.8375 7.9230 120.5301 54.9954 18.5240 179.4670 62 A 3.8060 7.7424 119.2226 55.1944 18.4347 180.0607 63 V 3.2228 7.5563 116.8675 65.7825 31.4310 178.2582 64 G 3.5727 7.9436 105.7278 47.8978 0.0000 175.0446 65 Q 3.8896 8.1021 122.4456 58.9792 29.0160 178.6384 66 R 3.8183 7.7333 119.3795 59.5604 29.9857 178.5715 67 I 3.6632 7.7667 119.3632 64.0259 37.0292 178.1540 68 A 4.1128 8.1881 121.9731 55.4142 18.0233 179.8477 69 R 3.8417 8.0584 115.1620 59.2718 30.4337 178.9089 70 A 4.1078 8.1261 120.2085 55.1452 18.4306 179.3580 71 A 3.9536 8.2340 119.5938 55.6406 18.2213 180.1117 72 R 4.6403 7.8123 116.4078 58.0754 30.1254 178.0816 73 E 4.5764 7.8526 115.9812 55.1094 30.3676 175.8495 74 S 4.6210 7.4360 115.6092 56.6108 64.7456 175.2008 75 G 3.7249 8.3907 108.3166 47.0685 0.0000 174.3643 76 L 4.0428 7.7138 119.2073 54.9977 42.0246 176.3728 77 H 4.0807 7.9094 114.6054 56.5749 26.7410 175.0202 78 A 4.2708 7.9431 121.6644 52.6786 18.8309 178.4056 79 D 4.7797 8.7922 121.8144 54.1390 42.1272 176.3002 80 G 4.0477 7.4640 104.2851 46.8862 0.0000 171.6215 81 N 5.5285 7.9808 114.6297 52.1961 43.4683 173.5604 82 N 5.0646 9.1447 120.2757 52.0366 40.5489 173.9952 83 I 4.9348 8.2876 124.4438 59.8456 39.0791 175.0566 84 A 4.7088 8.9036 127.2749 50.2954 22.9821 174.7531 85 I 4.6542 8.2827 120.6688 59.6429 40.2883 175.3740 86 N 4.4955 8.8422 125.0451 51.7375 37.9280 174.0359 87 D 4.4353 8.3463 123.6028 55.1747 40.8390 177.0276 88 G 4.1665 9.1421 112.3524 45.1671 0.0000 172.9136 89 K 4.2844 9.1238 120.0253 58.6566 32.3991 179.0246 90 A 3.9458 8.1055 120.0961 54.4324 18.4030 177.5255 91 A 4.0012 7.7529 117.3167 52.0041 18.9937 177.6104 92 F 4.3646 8.0114 115.3861 58.6759 37.2515 174.9590 93 Q 4.0342 7.9589 123.2907 56.4299 29.1614 176.4960 94 T 4.4672 8.2158 113.0387 60.6125 70.6488 173.6564 95 V 3.9848 7.3081 121.5604 61.0419 33.2040 175.8426 96 F 4.4950 8.4605 130.1208 57.0569 38.4855 176.1035 97 H 4.8381 7.5792 118.7244 53.9415 32.6770 172.2048 98 I 4.0172 8.7051 128.3729 62.2356 38.3969 174.2905 99 H 4.9706 8.1803 121.7715 55.0405 31.3767 172.2908 100 L 4.9433 8.6405 120.3267 53.6374 45.4735 174.6678 101 H 5.1981 9.4739 123.3319 54.7415 30.9058 174.3154 102 V 4.6131 9.0107 123.3932 61.3257 33.7287 174.6005 103 V 4.5216 8.7409 130.1002 60.3360 32.9377 173.1352 104 P 5.0370 0.0000 0.0000 62.4028 32.0635 176.2269 105 R 4.9736 9.1565 121.6060 54.5703 34.6832 174.6459 106 R 5.0772 9.0839 119.1696 54.0681 34.6268 174.8974 107 N 4.3736 9.3681 120.6102 55.1487 38.9324 175.2752 108 G 3.9448 8.8534 110.4423 46.5690 0.0000 174.1184 109 D 4.4223 8.0537 119.0206 53.3191 39.7311 176.4415 110 K 3.8347 8.0875 117.7534 57.0311 29.7802 174.8918 111 L 4.0005 8.0509 119.8394 54.9751 42.5311 176.0260 112 S 4.5476 8.1951 118.9386 56.3804 64.9912 173.5141 113 F 4.6543 8.6782 126.2011 56.4773 38.5995 175.7884 *120 R 4.0440 8.1370 128.2087 56.2831 30.2999 174.7256 121 R 4.5062 7.5544 116.0426 54.2547 33.3289 174.7152 122 D 4.8364 8.5658 122.7856 51.0401 42.3204 175.4441 123 P 4.3462 0.0000 0.0000 65.5972 31.7265 176.3300 124 D 4.6738 8.4339 118.4882 51.7313 42.1813 175.2456 125 R 4.2358 8.2061 125.1643 58.1166 30.3474 177.8895 126 E 3.9625 8.2059 118.1028 59.2960 29.4062 178.8049 127 E 3.9139 8.5894 119.2301 59.4624 29.7772 178.9122 128 S 4.2096 8.1164 115.3359 61.5925 62.8049 177.0341 129 G 3.6094 8.4537 108.6544 47.7921 0.0000 175.6516 130 R 3.9047 8.0996 121.5032 59.1020 30.1006 178.5602 131 L 3.9753 8.1873 118.9628 57.8462 41.5282 179.5882 132 L 4.0297 8.0494 118.8864 57.8196 41.4684 179.7492 133 R 3.9295 8.4413 118.2557 59.1669 29.9719 178.9764 134 A 3.9690 8.3155 120.5383 55.0650 18.3301 179.5946 135 A 3.9480 8.0852 119.3188 55.1843 18.4491 179.8353 136 L 3.9300 8.2943 117.6170 57.9995 41.7598 179.5018 137 A 4.0110 8.3018 120.9441 55.2914 18.2276 179.5426 138 Q 3.9118 8.0615 117.9814 59.3227 28.9514 178.2908 139 L 4.0265 7.9114 119.0387 57.8793 41.9814 178.9945 140 D 4.5227 8.3227 118.8329 57.5215 40.5671 178.9308 141 S 4.1293 8.0067 114.2080 61.5828 62.9631 176.4167 142 A 4.2263 8.1430 124.1097 54.3797 18.1430 177.8569 143 E 4.2636 7.8198 117.9931 55.8854 30.5131 181.2527 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 -1 G 8.21 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 0 S 8.00 4.05 0.00 3.97 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 1 M 7.87 4.29 0.00 2.05 2.11 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 2.60 2.53 0.00 2 S 7.87 4.64 0.00 3.94 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 3 C 8.12 4.79 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.48 3.69 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 0.71 0.00 0.00 1.02 0.00 0.00 5 F 8.10 4.52 0.00 2.91 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 6 C 8.36 4.20 0.00 3.32 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 7 A 8.29 4.10 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 8 I 7.92 3.83 2.00 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 1.69 0.92 0.87 0.00 0.00 9 V 7.67 3.61 2.26 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 0.85 0.00 0.00 0.98 0.00 0.00 10 S 8.28 4.42 0.00 4.07 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 11 G 7.88 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 0.00 0.00 0.00 12 D 8.58 4.76 0.00 2.75 2.72 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 13 A 7.46 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 14 P 0.00 4.49 0.00 2.20 2.07 0.00 3.82 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 2.00 1.97 0.00 15 A 7.95 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.17 4.21 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 1.46 0.59 0.91 0.00 0.00 17 R 8.50 4.87 0.00 1.69 1.85 0.00 3.13 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 1.58 1.61 0.00 18 I 8.90 4.56 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.98 0.00 0.00 19 Y 7.79 4.83 0.00 3.01 2.77 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 20 E 7.46 5.00 0.00 1.84 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 2.12 2.40 0.00 21 D 8.85 4.75 0.00 2.93 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 22 E 8.99 4.25 0.00 2.01 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 2.23 1.91 0.00 23 N 8.82 4.78 0.00 2.33 2.04 0.00 0.00 6.64 8.16 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 24 F 7.96 5.48 0.00 3.32 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 25 L 9.30 5.22 0.00 1.74 1.47 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.51 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 27 I 8.48 5.24 1.88 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 1.02 0.96 0.84 0.00 0.00 28 L 8.51 4.64 0.00 1.55 1.64 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.73 4.56 0.00 2.46 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 30 I 8.69 3.98 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.93 0.00 0.00 31 R 8.71 4.84 0.00 1.75 1.73 0.00 3.23 0.00 0.00 3.13 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 32 P 0.00 4.70 0.00 2.40 2.14 0.00 3.90 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 1.99 2.00 0.00 33 F 9.53 4.02 0.00 3.02 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 34 T 7.63 4.77 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 1.25 0.00 0.00 35 R 8.39 4.13 0.00 1.83 1.93 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 36 G 8.99 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 37 H 8.26 4.45 0.00 3.50 3.28 0.00 5.55 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.29 5.10 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 1.27 0.00 0.00 39 L 8.94 5.07 0.00 1.32 1.37 0.85 0.75 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 40 V 8.98 4.61 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 0.83 0.00 0.00 0.80 0.00 0.00 41 I 8.88 4.89 1.85 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.38 0.80 0.00 0.00 42 P 0.00 4.65 0.00 2.15 2.01 0.00 4.05 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.51 0.00 43 K 8.89 4.19 0.00 1.51 1.85 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.48 7.81 44 T 7.70 4.10 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 45 H 8.76 4.05 0.00 3.10 3.22 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.85 4.70 4.60 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 1.27 0.00 0.00 47 V 9.08 3.94 2.15 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 1.04 0.00 0.00 1.00 0.00 0.00 48 D 8.50 4.60 0.00 3.13 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 49 L 8.55 4.11 0.00 1.89 1.77 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.31 4.10 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 1.22 0.00 0.00 51 D 7.85 4.85 0.00 2.73 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 52 T 7.71 4.50 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 1.26 0.00 0.00 53 P 0.00 4.40 0.00 2.20 1.99 0.00 3.63 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 2.12 2.12 0.00 54 P 0.00 4.30 0.00 2.16 2.12 0.00 3.62 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 2.12 2.20 0.00 55 E 8.21 4.13 0.00 2.09 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 2.42 2.49 0.00 56 T 7.97 4.12 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 V 7.89 3.59 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 1.05 0.00 0.00 0.96 0.00 0.00 58 A 8.49 4.07 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 59 G 8.22 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 60 M 8.18 3.20 0.00 2.15 2.24 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 2.55 2.49 0.00 61 A 7.92 3.84 1.33 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 0.00 0.00 0.00 62 A 7.74 3.81 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 63 V 7.56 3.22 1.68 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 0.32 0.00 0.00 0.64 0.00 0.00 64 G 7.94 3.57 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 0.00 0.00 0.00 65 Q 8.10 3.89 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 66 R 7.73 3.82 0.00 1.83 1.85 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 67 I 7.77 3.66 1.88 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.38 0.88 0.00 0.00 68 A 8.19 4.11 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 69 R 8.06 3.84 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 70 A 8.13 4.11 1.40 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 0.00 0.00 71 A 8.23 3.95 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 72 R 7.81 4.64 0.00 2.00 2.02 0.00 3.09 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 73 E 7.85 4.58 0.00 1.94 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 2.26 2.49 0.00 74 S 7.44 4.62 0.00 4.00 4.19 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 75 G 8.39 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 76 L 7.71 4.04 0.00 1.64 1.70 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.91 4.08 0.00 3.35 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.94 4.27 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 79 D 8.79 4.78 0.00 2.53 2.72 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 80 G 7.46 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.98 5.53 0.00 2.60 2.65 0.00 0.00 6.78 6.92 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 82 N 9.14 5.06 0.00 2.73 2.59 0.00 0.00 6.95 8.25 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 83 I 8.29 4.93 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 0.86 0.00 0.00 84 A 8.90 4.71 1.03 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 85 I 8.28 4.65 1.84 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 1.32 0.69 0.88 0.00 0.00 86 N 8.84 4.50 0.00 2.72 2.94 0.00 0.00 7.03 8.06 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 87 D 8.35 4.44 0.00 2.59 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 88 G 9.14 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 0.00 0.00 0.00 89 K 9.12 4.28 0.00 2.09 1.94 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.61 7.81 90 A 8.11 3.95 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 91 A 7.75 4.00 1.19 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 0.00 0.00 92 F 8.01 4.36 0.00 3.22 3.24 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 93 Q 7.96 4.03 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.67 0.00 0.00 0.00 0.00 0.00 1.31 2.02 0.00 94 T 8.22 4.47 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 1.29 0.00 0.00 95 V 7.31 3.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.57 0.00 0.00 96 F 8.46 4.49 0.00 3.14 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 97 H 7.58 4.84 0.00 3.11 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.71 4.02 1.91 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 1.33 0.84 1.02 0.00 0.00 99 H 8.18 4.97 0.00 3.29 3.39 0.00 5.52 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.64 4.94 0.00 1.68 1.45 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 101 H 9.47 5.20 0.00 3.03 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 9.01 4.61 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 1.01 0.00 0.00 0.92 0.00 0.00 103 V 8.74 4.52 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 0.73 0.00 0.00 104 P 0.00 5.04 0.00 2.00 1.98 0.00 3.77 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 105 R 9.16 4.97 0.00 1.68 1.79 0.00 3.25 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 106 R 9.08 5.08 0.00 1.71 1.76 0.00 3.35 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 107 N 9.37 4.37 0.00 2.68 2.79 0.00 0.00 6.96 7.20 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 0.00 108 G 8.85 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 D 8.05 4.42 0.00 2.80 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 0.00 110 K 8.09 3.83 0.00 1.88 1.90 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.34 7.81 111 L 8.05 4.00 0.00 1.49 1.42 0.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.20 4.55 0.00 3.80 3.64 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 0.00 113 F 8.68 4.65 0.00 3.08 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 *120 R 8.14 4.04 0.00 1.71 1.86 0.00 2.32 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.22 0.00 121 R 7.55 4.51 0.00 1.76 1.63 0.00 3.25 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 122 D 8.57 4.84 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.21 2.17 0.00 3.81 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 1.98 1.95 0.00 124 D 8.43 4.67 0.00 2.65 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 0.00 125 R 8.21 4.24 0.00 1.89 1.97 0.00 3.54 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.58 0.00 126 E 8.21 3.96 0.00 2.13 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 0.00 2.40 2.32 0.00 127 E 8.59 3.91 0.00 2.17 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 2.30 2.35 0.00 128 S 8.12 4.21 0.00 4.06 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 0.00 129 G 8.45 3.61 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 0.00 0.00 0.00 130 R 8.10 3.90 0.00 1.90 2.11 0.00 3.10 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 1.63 1.68 0.00 131 L 8.19 3.98 0.00 1.84 1.68 0.89 0.91 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 0.00 132 L 8.05 4.03 0.00 1.85 1.73 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.44 3.93 0.00 1.96 1.99 0.00 3.13 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 1.86 1.87 0.00 134 A 8.32 3.97 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 0.00 135 A 8.09 3.95 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 0.00 136 L 8.29 3.93 0.00 1.90 1.82 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.30 4.01 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 0.00 138 Q 8.06 3.91 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 139 L 7.91 4.03 0.00 1.86 1.74 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.32 4.52 0.00 2.89 2.73 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 0.00 141 S 8.01 4.13 0.00 3.99 3.93 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 0.00 142 A 8.14 4.23 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 0.00 143 E 7.82 4.26 0.00 2.00 1.68 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 2.15 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.