NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3309 8.2649 123.5735 52.2514 19.6543 176.9943 10 R 4.3735 7.5298 116.5742 56.3610 32.5340 173.9311 11 N 5.2825 7.9257 116.1673 50.7460 43.2270 172.2112 12 P 5.3324 0.0000 0.0000 62.2919 32.4975 175.4613 13 I 4.2411 7.8838 114.7325 59.3331 39.3548 174.9125 14 Y 4.7099 8.2214 122.1822 55.9283 40.2190 176.1554 15 F 4.2918 9.5672 124.1048 61.6797 39.2065 177.5779 16 E 3.8745 8.3403 117.4221 58.9552 29.6578 179.0076 17 S 4.1157 7.9997 115.5599 60.9089 63.1283 174.7806 18 I 4.0286 7.2437 122.1551 60.6695 37.5490 175.2210 19 Q 4.4932 9.5257 123.7576 53.5857 30.8166 175.1324 20 I 3.8019 8.1962 122.0315 63.1451 37.5325 175.5392 21 G 4.0917 8.7141 113.0837 45.5890 0.0000 174.2743 22 E 4.1493 8.0612 119.6053 56.4176 30.4663 176.1761 23 K 5.1098 8.6391 124.1814 54.6884 35.5583 174.8565 24 I 4.5324 9.2475 127.8854 59.5142 39.8496 174.0153 25 E 4.7287 8.8332 128.1638 54.4501 30.5565 175.6958 26 G 3.9386 8.8560 115.2370 45.4486 0.0000 172.4753 27 L 4.3385 8.2782 123.1234 53.4607 42.6856 175.0458 28 P 4.8439 0.0000 0.0000 63.0906 32.3892 175.8774 29 R 4.7026 8.4423 117.4557 55.1775 33.2718 174.1232 30 T 4.7837 8.4747 119.0181 62.9631 69.1679 174.8960 31 V 3.9611 8.6691 128.0759 61.9888 32.3092 175.5531 32 T 4.8165 8.8854 117.8146 59.3034 70.8758 174.1420 33 E 4.1068 8.8691 123.5215 59.8888 29.3845 178.6048 34 T 3.9566 8.0189 115.0592 66.8457 68.4824 175.9113 35 D 4.3715 8.0135 119.9715 57.4895 40.8942 178.5755 36 I 3.7520 7.8524 119.9992 64.4592 37.1960 178.6094 37 W 3.2183 8.8617 119.9352 59.6898 28.7173 178.7047 38 T 3.7884 8.2002 116.0919 66.6182 67.9120 176.4356 39 F 3.9096 8.2305 122.2669 61.0397 39.3760 177.0170 40 A 3.6173 7.8465 120.5980 55.0522 17.9503 179.1018 41 Y 4.4070 8.0561 115.4514 61.4064 37.8192 178.5001 42 L 3.9416 7.9009 120.1254 58.0343 42.2073 178.2560 43 T 4.1253 7.3728 105.7411 60.2290 69.2302 174.0929 44 A 3.8489 7.5363 123.0125 53.4600 16.8332 176.9195 45 D 4.7707 7.6951 119.0141 54.4127 42.3944 176.4808 46 F 4.2743 8.4309 129.7193 55.7286 38.2011 176.2061 47 F 4.0208 8.1365 123.4933 57.2650 40.2569 173.7882 48 P 3.8795 0.0000 0.0000 65.6363 30.3813 178.0908 49 L 4.1689 7.0768 119.9247 57.4908 42.3611 177.8501 50 H 4.7183 8.3036 115.2486 56.7556 29.6169 175.8490 51 T 4.3904 7.6441 106.2034 60.8384 69.1574 173.2648 52 D 4.7675 8.2068 122.1604 52.0376 41.9287 175.8982 53 V 3.7404 8.7277 126.6220 66.3101 31.2189 177.4069 54 E 4.0950 8.2732 116.4334 59.2900 29.7925 178.6657 55 F 4.1943 8.9705 120.7246 61.2783 39.4589 176.9199 56 A 4.2744 8.4895 120.4736 55.3704 17.8924 179.5345 57 K 4.3663 7.5097 116.1692 58.7736 32.2310 178.1158 58 K 4.1940 7.6510 115.3450 56.7383 32.2038 176.6930 59 T 4.3905 7.6609 111.0863 59.7452 70.5220 175.4260 60 I 3.7204 8.0574 120.7999 62.8359 37.9800 176.1411 61 F 4.6799 8.0417 117.3120 57.6698 40.0921 176.6427 62 G 4.4102 8.4850 113.5449 45.2073 0.0000 173.6192 63 K 5.0024 7.8294 116.4416 53.1606 35.0484 173.8975 64 P 4.8087 0.0000 0.0000 62.7190 32.1295 175.2205 65 I 4.7555 7.5403 111.3499 58.6785 40.7084 174.8696 66 A 4.1297 8.4187 124.9293 51.7554 19.2259 177.5747 67 Q 3.5934 8.0933 118.5798 54.5654 30.4059 179.0578 68 G 2.8560 7.8558 111.6532 45.2517 0.0000 175.4415 *70 L 3.2037 8.1553 122.3172 54.2874 43.8491 178.7174 71 V 3.4750 7.3712 117.6253 65.8072 31.2205 177.6841 72 L 3.9227 8.0642 120.0628 58.2869 42.0021 179.1178 73 S 4.0944 7.8760 114.4886 61.7981 62.6414 176.6704 74 I 3.6948 7.8394 121.3148 64.1134 36.8301 178.0918 75 A 4.0737 7.8658 120.8686 55.3117 18.6092 179.2223 76 L 4.0020 8.1959 117.4864 57.6809 41.5950 180.6070 77 G 3.7130 7.9120 102.8463 45.2761 0.0000 175.4167 *79 V 3.9894 7.7496 122.3843 62.5487 33.4363 177.1094 80 D 4.2650 8.0549 118.5930 57.1114 40.7649 177.8359 81 Q 4.0481 8.0627 120.4291 59.0555 28.7200 178.6615 82 V 3.5964 7.3563 118.6366 65.9414 31.9340 177.8103 83 I 4.0505 7.7022 119.0738 64.5405 36.8388 178.1089 84 L 4.0780 8.2974 119.1413 57.1855 41.4672 178.2492 85 S 4.6572 7.4742 110.6997 58.1407 63.2016 174.0121 86 N 4.8157 8.0164 116.5595 53.0783 40.3891 173.7632 87 Y 5.0276 7.6448 114.2167 56.1514 42.9313 174.4811 88 D 4.5437 8.6562 121.6243 53.3016 42.1360 176.5759 89 V 3.9633 8.2891 119.7189 61.6030 31.4961 178.5924 90 S 4.2276 8.2477 117.1173 60.5906 62.9975 175.3771 91 S 4.1719 7.7869 115.1019 59.5526 63.3816 173.5630 92 V 4.0282 7.3849 121.5359 62.5189 30.1632 176.0343 93 I 4.0393 8.6462 128.6675 63.8165 37.3411 176.2243 94 A 4.6370 7.6948 121.0304 50.7548 22.8996 174.7824 95 F 4.8110 8.7814 122.2648 57.6118 39.2223 175.4087 96 F 4.0784 9.7238 129.9955 59.4957 39.5223 175.3500 97 G 3.9571 7.5611 99.9493 46.0099 0.0000 171.0866 98 I 5.1204 8.2696 119.9837 59.6467 39.2027 175.7527 99 K 4.3237 9.3715 129.1423 58.1686 33.3389 176.4915 100 D 4.7819 7.8460 118.4931 52.6005 44.8778 174.1232 101 V 4.7012 8.3124 124.5091 61.1250 34.6087 174.4132 102 R 4.3147 8.7987 126.8268 54.3669 33.2013 174.8682 103 F 4.5922 8.5416 123.5823 56.7460 38.5585 175.9850 104 L 4.2807 8.8797 124.2356 56.9000 41.7598 177.6346 105 R 4.7521 7.6971 116.5473 53.4179 33.1756 172.8343 106 P 4.3510 0.0000 0.0000 62.5214 32.7589 175.3689 107 V 4.3016 7.7766 121.0460 61.3721 33.5189 174.9221 108 F 4.9583 9.4929 127.1304 56.1180 40.5393 177.1086 109 I 3.6710 8.9209 121.5352 63.9752 36.9663 177.1750 110 G 4.0852 7.9740 106.0840 45.0441 0.0000 173.1695 111 D 4.8601 8.3043 120.8668 54.0833 42.0017 175.6745 112 T 4.9699 8.5308 118.1973 62.0039 70.9869 173.2337 113 I 4.6787 8.2984 120.2316 59.5337 40.3822 174.6972 114 A 4.9923 9.0940 125.0965 50.2608 22.3439 174.8879 115 A 5.4331 8.6748 123.2579 50.1712 22.6677 175.2676 116 S 5.1867 9.2092 113.7014 56.6106 67.0418 172.7744 117 A 5.3439 9.0574 123.1382 50.2534 22.3860 174.5874 118 E 5.1094 9.0335 121.8309 54.0801 33.4127 174.9590 119 V 3.7543 8.6949 127.4089 63.1456 32.0345 176.4078 120 V 4.3492 8.4204 120.0638 61.1084 33.8762 175.2291 121 E 4.7290 7.5481 119.7981 55.0686 32.9867 173.7620 122 K 5.2931 8.3948 123.0694 55.1180 36.4367 175.7263 123 Q 4.6843 9.2039 122.1022 54.1226 33.2590 174.1976 124 D 4.4628 8.9596 123.0013 54.6964 41.7961 174.5461 125 F 4.6164 8.6033 123.6576 59.1984 41.3453 174.2840 126 D 4.5223 7.9423 117.4635 52.2468 41.8437 175.1578 127 E 4.1878 8.7237 115.9913 58.2852 29.8014 177.2997 128 K 4.5129 8.2404 118.3091 56.1844 33.7979 175.1111 129 S 4.9360 7.6365 111.5191 57.7602 66.6975 174.0930 130 G 3.1998 8.1471 106.5804 44.3204 0.0000 171.6423 131 V 4.6269 8.1471 113.8676 59.4399 33.8922 175.2916 132 V 4.8190 8.8265 125.2402 61.4387 34.0278 174.2296 133 T 4.9850 8.7096 124.3660 62.0136 71.0468 172.9547 134 Y 4.8987 9.5092 123.6493 55.9098 41.6870 174.4343 135 K 4.8141 9.0608 124.2767 54.8520 34.3367 174.5489 136 L 5.3041 9.9957 130.4392 53.7506 44.2796 174.8666 137 E 5.1269 9.3028 124.9575 54.5746 33.6359 174.5724 138 V 4.8249 8.9605 124.5229 61.0427 34.2225 174.3249 139 K 5.2485 9.1937 127.5748 54.6922 35.9310 175.9907 140 N 5.1867 9.0038 121.5078 50.7372 39.3976 175.5704 141 Q 4.0762 8.9005 115.8225 58.7943 28.4646 177.6330 142 R 4.2886 8.3220 115.4281 55.8083 29.9449 178.5663 143 G 4.0030 8.0708 106.9116 46.9932 0.0000 175.0307 144 E 3.9738 7.7437 120.1697 56.2227 29.9611 176.0788 145 L 4.6663 8.3450 124.8174 54.5565 42.2093 176.3299 146 V 4.1980 8.7777 121.2809 63.1513 33.1913 176.2101 147 L 5.1952 7.6247 120.1370 53.9068 45.8967 174.6714 148 T 5.2124 8.6086 117.6145 60.8122 70.7552 172.2688 149 A 5.6534 9.0691 127.5678 51.8603 23.7436 174.7214 150 L 5.2801 8.5566 120.7083 53.5309 44.5613 174.8590 151 Y 5.7105 9.1795 124.1372 55.4997 42.1919 174.2831 152 S 5.0423 9.6215 113.7688 56.9596 67.0011 172.6167 153 A 5.3599 9.3248 123.3086 50.1924 22.7039 174.7693 154 L 4.7603 8.8987 123.6053 53.7212 43.5923 175.3931 155 I 5.1366 8.4472 120.3178 58.6220 40.8439 175.1655 156 R 4.5831 9.2270 125.6729 56.8576 31.1130 175.6862 157 K 5.2068 8.6415 124.4082 54.4974 33.8275 176.9887 158 T 2.5340 8.1931 119.6784 63.0560 68.9249 172.8975 159 P 4.3380 0.0000 0.0000 62.8387 31.3007 176.2710 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 9 A 8.26 4.33 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 10 R 7.53 4.37 0.00 1.68 1.73 0.00 3.08 0.00 0.00 3.20 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 11 N 7.93 5.28 0.00 2.69 2.76 0.00 0.00 6.60 8.03 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 12 P 0.00 5.33 0.00 1.53 1.92 0.00 3.39 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.85 0.00 13 I 7.88 4.24 1.59 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.20 0.00 0.00 14 Y 8.22 4.71 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 15 F 9.57 4.29 0.00 3.18 3.18 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 16 E 8.34 3.87 0.00 2.13 2.18 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 2.43 2.29 0.00 17 S 8.00 4.12 0.00 4.00 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 18 I 7.24 4.03 1.74 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 1.47 0.71 0.75 0.00 0.00 19 Q 9.53 4.49 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.20 3.80 1.79 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 1.21 0.40 0.87 0.00 0.00 21 G 8.71 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 0.00 0.00 0.00 0.00 22 E 8.06 4.15 0.00 1.96 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 2.32 2.51 0.00 23 K 8.64 5.11 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.63 7.81 24 I 9.25 4.53 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.95 0.00 0.00 25 E 8.83 4.73 0.00 1.96 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 2.21 2.36 0.00 26 G 8.86 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 27 L 8.28 4.34 0.00 1.61 1.58 0.92 0.95 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 28 P 0.00 4.84 0.00 1.98 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.44 4.70 0.00 1.84 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.47 4.78 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 1.32 0.00 0.00 31 V 8.67 3.96 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 0.70 0.00 0.00 0.89 0.00 0.00 32 T 8.89 4.82 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 1.39 0.00 0.00 33 E 8.87 4.11 0.00 2.05 1.88 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 2.04 2.16 0.00 34 T 8.02 3.96 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 1.26 0.00 0.00 35 D 8.01 4.37 0.00 3.06 2.70 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 36 I 7.85 3.75 2.27 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 1.87 1.02 0.70 0.00 0.00 37 W 8.86 3.22 0.00 3.37 2.63 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 38 T 8.20 3.79 4.44 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 1.29 0.00 0.00 39 F 8.23 3.91 0.00 3.15 3.03 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 40 A 7.85 3.62 0.14 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 0.00 0.00 41 Y 8.06 4.41 0.00 3.11 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 42 L 7.90 3.94 0.00 1.62 1.60 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.37 4.13 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 0.33 0.00 0.00 44 A 7.54 3.85 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 45 D 7.70 4.77 0.00 2.64 2.44 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 46 F 8.43 4.27 0.00 2.98 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 47 F 8.14 4.02 0.00 3.24 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 48 P 0.00 3.88 0.00 0.49 1.62 0.00 2.25 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 49 L 7.08 4.17 0.00 1.91 1.70 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.30 4.72 0.00 3.02 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.64 4.39 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 -0.27 0.00 0.00 52 D 8.21 4.77 0.00 2.62 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 53 V 8.73 3.74 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.27 4.09 0.00 2.14 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 0.00 2.36 2.46 0.00 55 F 8.97 4.19 0.00 3.07 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 56 A 8.49 4.27 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 0.00 0.00 57 K 7.51 4.37 0.00 1.99 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.61 7.81 58 K 7.65 4.19 0.00 1.51 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.29 7.81 59 T 7.66 4.39 4.42 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.72 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.05 0.00 0.00 61 F 8.04 4.68 0.00 3.27 3.34 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 62 G 8.48 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 0.00 0.00 0.00 0.00 63 K 7.83 5.00 0.00 1.95 1.88 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.16 7.81 64 P 0.00 4.81 0.00 2.32 2.19 0.00 3.85 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 2.15 2.11 0.00 65 I 7.54 4.76 1.44 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.44 0.24 0.00 0.00 66 A 8.42 4.13 1.06 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 67 Q 8.09 3.59 0.00 1.45 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.17 0.00 0.00 0.00 0.00 0.00 2.23 1.53 0.00 68 G 7.86 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 0.00 0.00 0.00 *70 L 8.16 3.20 0.00 0.48 1.35 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.37 3.47 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 0.91 0.00 0.00 0.81 0.00 0.00 72 L 8.06 3.92 0.00 1.98 1.66 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.88 4.09 0.00 3.98 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 74 I 7.84 3.69 1.80 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 1.42 0.55 0.88 0.00 0.00 75 A 7.87 4.07 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 76 L 8.20 4.00 0.00 1.55 1.45 0.88 0.42 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 77 G 7.91 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 *79 V 7.75 3.99 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 0.93 0.00 0.00 0.97 0.00 0.00 80 D 8.05 4.26 0.00 2.83 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 81 Q 8.06 4.05 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.36 3.60 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 0.91 0.00 0.00 0.96 0.00 0.00 83 I 7.70 4.05 2.01 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 1.75 0.76 1.01 0.00 0.00 84 L 8.30 4.08 0.00 1.85 1.74 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.47 4.66 0.00 3.88 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 86 N 8.02 4.82 0.00 2.28 1.99 0.00 0.00 6.65 6.83 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 87 Y 7.64 5.03 0.00 2.80 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 88 D 8.66 4.54 0.00 2.82 2.60 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 89 V 8.29 3.96 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 0.79 0.00 0.00 0.93 0.00 0.00 90 S 8.25 4.23 0.00 3.99 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 91 S 7.79 4.17 0.00 3.82 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 92 V 7.38 4.03 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 0.73 0.00 0.00 0.89 0.00 0.00 93 I 8.65 4.04 2.00 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 1.18 0.85 0.93 0.00 0.00 94 A 7.69 4.64 1.26 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 0.00 0.00 0.00 95 F 8.78 4.81 0.00 3.01 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 96 F 9.72 4.08 0.00 3.18 3.25 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 97 G 7.56 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 0.00 0.00 0.00 98 I 8.27 5.12 1.85 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 1.36 0.46 1.03 0.00 0.00 99 K 9.37 4.32 0.00 1.79 1.87 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.40 7.81 100 D 7.85 4.78 0.00 2.70 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 0.00 101 V 8.31 4.70 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 0.28 0.00 0.00 0.87 0.00 0.00 102 R 8.80 4.31 0.00 1.62 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 103 F 8.54 4.59 0.00 2.95 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 0.00 104 L 8.88 4.28 0.00 1.83 1.75 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.70 4.75 0.00 1.74 1.78 0.00 3.35 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 106 P 0.00 4.35 0.00 1.35 1.77 0.00 3.88 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 1.93 2.25 0.00 107 V 7.78 4.30 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 1.04 0.00 0.00 0.86 0.00 0.00 108 F 9.49 4.96 0.00 3.29 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 0.00 109 I 8.92 3.67 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.97 0.00 0.00 110 G 7.97 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 0.00 0.00 0.00 0.00 111 D 8.30 4.86 0.00 2.77 2.64 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 0.00 112 T 8.53 4.97 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 1.22 0.00 0.00 113 I 8.30 4.68 1.86 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 1.28 0.70 0.90 0.00 0.00 114 A 9.09 4.99 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 0.00 115 A 8.67 5.43 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 0.00 116 S 9.21 5.19 0.00 3.85 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 0.00 117 A 9.06 5.34 1.38 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 0.00 0.00 118 E 9.03 5.11 0.00 2.04 1.75 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 2.15 2.33 0.00 119 V 8.69 3.75 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 0.62 0.00 0.00 0.68 0.00 0.00 120 V 8.42 4.35 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 0.73 0.00 0.00 0.90 0.00 0.00 121 E 7.55 4.73 0.00 1.95 1.65 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 2.25 2.30 0.00 122 K 8.39 5.29 0.00 1.54 1.61 0.00 1.56 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.29 7.81 123 Q 9.20 4.68 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 124 D 8.96 4.46 0.00 2.74 2.57 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 0.00 125 F 8.60 4.62 0.00 2.68 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 0.00 126 D 7.94 4.52 0.00 2.77 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 0.00 0.00 127 E 8.72 4.19 0.00 2.10 2.11 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 2.28 2.27 0.00 128 K 8.24 4.51 0.00 2.03 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.64 4.94 0.00 3.95 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 0.00 130 G 8.15 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 0.00 0.00 0.00 131 V 8.15 4.63 1.67 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 -0.26 0.00 0.00 0.76 0.00 0.00 132 V 8.83 4.82 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 0.44 0.00 0.00 1.09 0.00 0.00 133 T 8.71 4.99 4.13 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 0.00 0.00 1.20 0.00 0.00 134 Y 9.51 4.90 0.00 1.43 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.81 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 10.00 5.30 0.00 2.18 1.77 1.03 0.70 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 0.00 137 E 9.30 5.13 0.00 1.92 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 2.22 2.24 0.00 138 V 8.96 4.82 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 1.07 0.00 0.00 0.93 0.00 0.00 139 K 9.19 5.25 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.35 7.81 140 N 9.00 5.19 0.00 2.87 3.01 0.00 0.00 6.61 6.79 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 0.00 141 Q 8.90 4.08 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.08 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 142 R 8.32 4.29 0.00 2.04 2.19 0.00 2.94 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 143 G 8.07 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 0.00 0.00 0.00 144 E 7.74 3.97 0.00 2.17 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 2.36 2.45 0.00 145 L 8.34 4.67 0.00 1.60 1.61 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.78 4.20 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 0.71 0.00 0.00 1.00 0.00 0.00 147 L 7.62 5.20 0.00 1.73 1.45 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.61 5.21 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 1.16 0.00 0.00 149 A 9.07 5.65 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 0.00 150 L 8.56 5.28 0.00 1.77 1.55 0.97 0.69 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 0.00 151 Y 9.18 5.71 0.00 3.54 3.13 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 0.00 0.00 0.00 152 S 9.62 5.04 0.00 4.00 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 0.00 153 A 9.32 5.36 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 0.00 154 L 8.90 4.76 0.00 1.66 1.53 0.36 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.45 5.14 1.90 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 1.33 0.95 0.98 0.00 0.00 156 R 9.23 4.58 0.00 2.07 1.94 0.00 3.22 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 157 K 8.64 5.21 0.00 1.74 1.96 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.82 1.28 7.81 158 T 8.19 2.53 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 0.83 0.00 0.00 159 P 0.00 4.34 0.00 1.93 1.92 0.00 3.07 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.