NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1107 8.0549 114.0566 60.9624 33.0820 174.1737 2 L 4.0285 8.1359 120.3916 52.5409 42.2255 176.3664 3 S 4.4286 9.5784 119.0361 57.9260 65.9555 174.9163 4 E 4.3037 8.8399 122.4504 59.5243 29.2671 178.9223 5 G 3.6740 8.1527 105.2667 47.9931 0.0000 175.2946 6 E 4.0220 8.0652 120.4209 58.6863 29.4324 179.2980 7 W 4.3519 8.5330 119.6260 59.7551 29.0275 178.3877 8 Q 4.1146 8.4887 118.1615 59.1233 28.0792 178.9799 9 L 4.0399 7.7923 119.5876 57.7530 41.7347 179.8189 10 V 3.7608 7.8780 118.0503 66.2634 31.6292 178.1147 11 L 4.3308 8.3902 118.4872 57.5969 39.9631 178.8728 12 H 4.2916 8.6434 119.0503 59.0513 29.9102 177.6570 13 V 3.8923 7.8425 121.3930 64.5759 31.1538 178.2642 14 W 3.8534 8.3702 128.6186 59.9094 30.3223 177.8508 15 A 3.9859 8.1132 120.0097 54.6276 18.1143 179.1531 16 K 4.0385 7.2583 115.5998 58.8916 32.3252 179.4736 17 V 2.9430 7.0719 118.2049 65.5411 30.9898 177.6236 18 E 3.9240 7.6763 116.7903 58.1389 29.3567 178.4451 19 A 4.1945 7.4560 120.0683 53.7757 20.0531 177.6488 20 D 4.6644 7.7750 116.3817 52.3096 42.9171 175.5968 21 V 3.4384 7.8364 123.3338 65.7606 32.1532 176.8182 22 A 4.1163 7.9799 120.1917 55.0049 18.2826 179.7255 23 G 3.4699 8.4302 104.3481 48.1931 0.0000 175.7714 24 H 4.1833 8.3137 118.8570 58.5705 28.8333 178.2157 25 G 3.5937 8.5176 107.7218 47.3017 0.0000 175.5919 26 Q 3.9112 7.8472 121.6115 58.9434 29.0681 177.6985 27 D 4.2464 7.9327 119.9199 57.2682 40.7761 178.7099 28 I 3.6235 7.7037 120.1693 64.5315 37.1371 178.5546 29 L 3.4833 7.5634 119.3653 57.5344 41.3048 179.6869 30 I 3.5720 7.4285 119.8060 64.3327 36.9430 178.4717 31 R 3.8124 7.9936 119.5852 59.0407 29.8556 178.2126 32 L 3.9237 7.9248 120.4151 58.3333 41.7977 179.1028 33 F 4.6122 7.9213 117.6704 60.5113 38.5642 177.9642 34 K 4.0248 8.0310 117.1858 59.6432 32.0960 179.5082 35 S 4.2637 8.1118 114.2607 60.4888 64.1317 174.6094 36 H 4.7642 8.0066 118.3262 52.0422 29.4433 171.8081 37 P 4.5655 0.0000 0.0000 64.5726 31.0190 177.5910 38 E 4.0633 8.2090 116.3798 59.4622 29.5939 179.1330 39 T 3.8699 8.0244 110.8913 64.5089 68.7314 176.3187 40 L 3.8439 7.8545 123.3638 57.7625 41.8292 178.4450 41 E 4.2657 7.8023 116.7751 58.4179 29.4348 178.7029 42 K 4.4552 8.0166 117.5928 56.9921 32.6050 176.6818 43 F 4.7147 8.4321 119.2385 55.3958 39.1993 175.7955 44 D 4.4348 8.5966 127.4196 57.0933 40.8378 179.1030 45 R 3.8593 7.7606 113.3876 57.4852 29.9232 176.7060 46 F 5.1176 7.7799 116.2382 57.2821 40.4727 176.7070 47 K 4.2275 7.7211 119.5927 58.0238 31.8248 177.3655 48 H 4.5271 8.0010 113.8244 56.5285 29.3127 175.2883 49 L 4.3069 7.6098 121.3398 54.2444 41.6900 176.4455 50 K 4.2788 9.5209 124.1890 57.1882 33.5631 177.2896 51 T 4.6002 7.6023 108.0584 59.5204 72.5280 174.7836 52 E 3.9086 8.5359 120.9694 59.1811 29.6753 178.5024 53 A 3.9557 7.9397 120.4195 55.3235 18.3049 179.2894 54 E 3.9380 7.9255 115.7579 59.6745 29.7802 179.2742 55 M 4.1469 7.9464 118.7242 58.4688 31.8675 178.9297 56 K 3.9084 8.0396 117.0646 59.3434 32.2613 178.7697 57 A 4.2815 7.6547 119.3792 52.7310 18.6287 177.2946 58 S 4.3529 7.5262 113.7662 57.5373 62.9815 174.6283 59 E 3.9935 8.9549 128.1832 59.5740 29.3113 178.6820 60 D 4.4158 8.1701 117.6419 57.2487 41.3178 177.8533 61 L 3.4899 8.0711 120.9233 57.9171 42.0304 178.8573 62 K 3.8805 7.8173 119.6024 59.4029 32.1931 178.8751 63 K 4.0025 8.3187 119.0579 59.8371 31.9972 178.8246 64 H 4.5137 8.7293 118.5963 59.0004 29.7894 177.5734 65 G 3.5826 8.3750 107.9597 47.5139 0.0000 175.9404 66 V 3.6429 7.8419 120.6003 66.0389 31.6099 178.2202 67 T 3.8812 7.8451 115.3040 66.6612 68.2483 176.8061 68 V 3.6343 7.7401 119.9956 66.1305 31.6485 178.1899 69 L 4.2414 8.0235 118.6514 57.9049 41.3875 179.6785 70 T 4.0049 8.0981 115.9386 66.5494 68.1105 176.6397 71 A 4.0270 7.9809 122.3353 55.0317 18.4023 179.4666 72 L 3.7485 8.3356 119.3276 57.9741 42.1019 179.4702 73 G 3.3449 8.2764 105.6346 47.6388 0.0000 175.4236 74 A 4.0236 7.7368 122.2455 54.9567 18.6029 179.6243 75 I 3.8301 7.3544 117.9338 64.5392 37.3187 178.6975 76 L 3.9232 7.6979 119.7377 57.6669 41.5229 178.8818 77 K 4.1012 7.8413 114.9536 57.0018 31.8835 177.4801 78 K 4.1217 7.9247 118.5462 55.2795 33.2291 176.0119 79 K 2.0000 8.1479 118.1465 56.4223 29.6650 174.1430 80 G 4.0043 7.8065 105.5636 45.7051 0.0000 173.3829 81 H 4.5486 7.4336 118.6897 54.9227 27.3952 174.7110 82 H 5.4510 7.6276 111.6578 54.4039 29.8023 176.5974 83 E 3.9506 8.4492 121.3477 60.4416 28.6769 178.7459 84 A 4.1441 7.8975 119.5916 54.2633 17.7334 178.7953 85 E 4.1517 8.1067 116.9299 59.0548 29.7376 178.6905 86 L 4.3118 8.1745 120.5654 57.5639 42.1971 178.5742 87 K 3.8579 7.9349 119.3715 59.3359 32.0270 177.0174 88 P 4.3011 0.0000 0.0000 65.2274 31.1906 178.3877 89 L 4.0128 7.5464 119.2431 58.1195 42.0003 178.8639 90 A 4.1479 8.2455 120.8640 55.3297 18.2646 179.6371 91 Q 3.8676 8.1819 116.7302 59.1119 28.8421 179.2258 92 S 3.9851 8.3194 115.5058 61.8547 63.0454 176.1946 93 H 4.4641 8.7475 119.6438 58.1448 28.1145 177.1606 94 A 2.9939 8.1172 124.0987 54.5774 17.8938 179.5491 95 T 3.6014 7.6817 108.0185 63.0238 69.3527 175.5418 96 K 4.1625 7.4148 120.3439 58.2249 33.3225 176.8825 97 H 4.2557 8.0920 114.3547 56.0238 29.4733 175.1967 98 K 3.5698 6.8517 116.0010 57.1691 30.1680 176.1333 99 I 4.1864 8.0072 120.0109 58.8920 38.1922 174.8723 100 P 4.6360 0.0000 0.0000 62.0581 31.9691 177.6211 101 I 3.5278 8.5408 122.8995 64.6050 36.8646 178.3579 102 K 3.6841 7.9195 119.7601 59.6951 31.9204 178.1967 103 Y 4.0154 7.9110 116.8282 60.6091 37.8063 177.9939 104 L 4.1711 7.8339 119.9550 57.4956 41.6291 179.0274 105 E 4.0120 7.8925 119.1878 59.0194 29.5961 178.6841 106 F 4.4640 7.8605 118.0021 60.7982 38.9585 177.5744 107 I 3.8025 8.1824 118.0809 64.0160 37.6321 178.0790 108 S 4.2000 8.2265 116.4031 61.6063 62.6429 176.4387 109 E 4.0851 8.3990 121.2027 59.2385 29.2074 179.2121 110 A 4.0400 8.2461 121.0244 55.1923 18.3731 179.6885 111 I 3.7011 8.1499 118.6476 64.6420 37.1665 178.8148 112 I 3.8293 7.7117 120.3240 64.4653 36.9267 177.8118 113 H 4.0427 8.3891 119.1251 59.5341 29.7637 177.5175 114 V 3.5914 7.9109 119.8280 65.9429 31.3364 177.9532 115 L 3.8710 8.2051 119.1167 57.4957 40.9983 178.8157 116 H 4.5004 7.7791 117.8540 59.0145 29.9204 177.0292 117 S 4.1739 8.0042 116.3865 61.4019 62.8173 176.2360 118 R 4.2345 7.7232 117.7597 56.7891 31.2003 176.6227 119 H 4.9200 7.9005 116.0164 53.3183 30.2121 172.0311 120 P 4.2749 0.0000 0.0000 66.1894 31.3201 179.3627 121 G 3.7633 8.0951 106.1339 46.4096 0.0000 173.3343 122 D 4.9544 7.7135 116.8931 54.0143 43.2600 175.9869 123 F 4.9307 8.1883 120.3414 55.9527 39.1104 173.9474 124 G 3.8962 7.6084 111.4425 43.4386 0.0000 171.3286 125 A 3.8791 8.4355 121.1905 55.1576 18.1018 179.5115 126 D 4.1761 7.9314 116.8636 56.6787 39.5509 178.5679 127 A 3.9919 7.6994 121.6006 54.2910 18.4675 179.2093 128 Q 3.3458 7.7138 118.7583 58.9828 29.0199 178.6481 129 G 3.5008 8.2172 107.0509 47.4839 0.0000 175.6734 130 A 3.8628 7.8594 123.1825 55.1563 18.3655 179.4606 131 M 4.0437 8.1863 116.7920 58.7133 32.3441 178.0131 132 N 4.3692 8.2453 117.4258 56.4090 39.1436 177.0731 133 K 4.0477 8.0653 119.8836 59.4425 32.1138 179.1987 134 A 3.9122 7.9908 120.9967 55.0163 18.2448 179.7128 135 L 4.1300 8.1966 117.6183 57.7950 41.6800 179.4823 136 E 4.0483 8.2343 118.8827 59.0226 29.4060 178.9780 137 L 4.0044 7.9825 120.6014 57.8385 42.2551 178.5960 138 F 4.1346 8.3163 120.7030 61.6089 39.3594 177.2196 139 R 3.5463 8.1744 117.4956 59.0634 29.7122 179.0837 140 K 3.8667 7.9419 119.2536 59.6466 32.1213 178.7651 141 D 4.3572 8.1315 119.1704 57.2617 40.6295 178.8526 142 I 3.5487 7.3827 120.0258 64.0300 36.9988 178.2735 143 A 3.6685 7.7490 121.5123 54.8815 18.1758 179.5716 144 A 3.9961 7.7627 119.2885 55.1452 18.4459 180.0496 145 K 4.0424 7.8024 117.3088 59.5917 32.0663 179.1156 146 Y 4.1685 8.5612 117.5946 60.9780 37.8241 178.6616 147 K 3.9479 8.2671 120.4136 59.5939 32.1306 178.1272 148 E 3.9510 7.8837 118.0344 59.6192 29.5567 178.5509 149 L 4.3191 7.7959 116.9856 55.7424 41.8093 177.9432 150 G 3.8368 8.1401 106.7720 45.7195 0.0000 173.6224 151 Y 4.1004 7.7394 117.0046 58.0550 39.7771 178.2657 152 Q 3.2016 7.9269 116.9736 57.5606 26.2593 175.8036 153 G 4.3086 8.4920 111.2333 45.5418 0.0000 171.1296 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 V 8.05 4.11 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 0.93 0.00 0.00 0.99 0.00 0.00 2 L 8.14 4.03 0.00 0.83 0.64 0.56 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.58 4.43 0.00 4.02 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 4 E 8.84 4.30 0.00 2.19 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 0.00 2.43 2.52 0.00 5 G 8.15 3.67 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 0.00 0.00 0.00 6 E 8.07 4.02 0.00 1.92 1.76 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 2.22 2.26 0.00 7 W 8.53 4.35 0.00 3.52 3.17 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 8 Q 8.49 4.11 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 9 L 7.79 4.04 0.00 1.90 1.74 0.92 1.28 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 10 V 7.88 3.76 2.48 0.00 0.00 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 0.89 0.00 0.00 11 L 8.39 4.33 0.00 1.87 1.81 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.64 4.29 0.00 3.41 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.89 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 0.87 0.00 0.00 1.10 0.00 0.00 14 W 8.37 3.85 0.00 3.67 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 15 A 8.11 3.99 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 16 K 7.26 4.04 0.00 1.74 1.72 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 17 V 7.07 2.94 1.15 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 -0.15 0.00 0.00 0.25 0.00 0.00 18 E 7.68 3.92 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 2.14 2.25 0.00 19 A 7.46 4.19 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 20 D 7.77 4.66 0.00 2.66 2.49 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 0.00 0.00 0.00 0.00 21 V 7.84 3.44 2.04 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 0.99 0.00 0.00 0.87 0.00 0.00 22 A 7.98 4.12 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 23 G 8.43 3.47 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 0.00 24 H 8.31 4.18 0.00 3.23 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.52 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.85 3.91 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 27 D 7.93 4.25 0.00 2.83 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 28 I 7.70 3.62 1.86 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 1.51 0.73 0.89 0.00 0.00 29 L 7.56 3.48 0.00 1.47 1.01 0.80 0.54 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 30 I 7.43 3.57 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.86 0.00 0.00 31 R 7.99 3.81 0.00 1.90 2.09 0.00 3.03 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 32 L 7.92 3.92 0.00 1.74 1.43 1.04 1.38 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 33 F 7.92 4.61 0.00 3.07 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 34 K 8.03 4.02 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.59 7.81 35 S 8.11 4.26 0.00 3.78 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 36 H 8.01 4.76 0.00 3.09 2.98 0.00 5.63 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 37 P 0.00 4.57 0.00 2.15 2.11 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.21 4.06 0.00 2.29 2.29 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 2.27 2.55 0.00 39 T 8.02 3.87 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 0.86 0.00 0.00 40 L 7.85 3.84 0.00 1.22 1.76 0.05 0.75 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 41 E 7.80 4.27 0.00 2.24 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 0.00 2.37 2.54 0.00 42 K 8.02 4.46 0.00 2.01 1.71 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.78 2.01 7.81 43 F 8.43 4.71 0.00 3.13 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 44 D 8.60 4.43 0.00 2.67 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 45 R 7.76 3.86 0.00 1.57 1.83 0.00 2.77 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 46 F 7.78 5.12 0.00 2.88 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 47 K 7.72 4.23 0.00 2.10 1.89 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.74 7.81 48 H 8.00 4.53 0.00 3.27 3.42 0.00 5.52 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 49 L 7.61 4.31 0.00 1.63 1.57 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.52 4.28 0.00 1.67 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.49 7.81 51 T 7.60 4.60 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 1.20 0.00 0.00 52 E 8.54 3.91 0.00 2.04 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 2.35 2.35 0.00 53 A 7.94 3.96 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 54 E 7.93 3.94 0.00 2.10 2.01 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 2.35 2.35 0.00 55 M 7.95 4.15 0.00 2.04 2.25 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 2.59 2.58 0.00 56 K 8.04 3.91 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.59 7.81 57 A 7.65 4.28 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 58 S 7.53 4.35 0.00 3.92 3.86 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 59 E 8.95 3.99 0.00 2.05 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 2.41 2.33 0.00 60 D 8.17 4.42 0.00 2.86 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 61 L 8.07 3.49 0.00 1.35 1.64 0.66 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.88 0.00 1.78 2.04 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.32 4.00 0.00 2.12 1.95 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 64 H 8.73 4.51 0.00 3.63 3.67 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.37 3.58 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 0.00 0.00 0.00 66 V 7.84 3.64 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 1.04 0.00 0.00 1.01 0.00 0.00 67 T 7.85 3.88 4.45 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 1.29 0.00 0.00 68 V 7.74 3.63 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 1.17 0.00 0.00 0.95 0.00 0.00 69 L 8.02 4.24 0.00 1.80 1.87 0.85 0.96 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 70 T 8.10 4.00 4.52 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 1.26 0.00 0.00 71 A 7.98 4.03 1.42 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 0.00 0.00 72 L 8.34 3.75 0.00 1.71 1.77 0.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.28 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 0.00 0.00 0.00 74 A 7.74 4.02 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 75 I 7.35 3.83 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.94 0.00 0.00 76 L 7.70 3.92 0.00 1.19 1.53 -0.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.84 4.10 0.00 1.69 1.77 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.48 7.81 78 K 7.92 4.12 0.00 1.90 1.81 0.00 1.93 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.50 7.81 79 K 8.15 2.00 0.00 1.26 0.74 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.40 0.74 7.81 80 G 7.81 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 81 H 7.43 4.55 0.00 3.14 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.63 5.45 0.00 3.28 3.45 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.45 3.95 0.00 2.20 2.31 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 2.39 2.36 0.00 84 A 7.90 4.14 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 85 E 8.11 4.15 0.00 2.22 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 2.39 2.43 0.00 86 L 8.17 4.31 0.00 1.80 1.68 0.72 0.45 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 87 K 7.93 3.86 0.00 2.15 1.82 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 88 P 0.00 4.30 0.00 2.23 2.10 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 L 7.55 4.01 0.00 1.93 1.93 1.11 0.97 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 90 A 8.25 4.15 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 91 Q 8.18 3.87 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 92 S 8.32 3.99 0.00 3.96 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 93 H 8.75 4.46 0.00 3.45 3.53 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.12 2.99 0.36 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 95 T 7.68 3.60 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 1.10 0.00 0.00 96 K 7.41 4.16 0.00 1.54 1.43 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.32 7.81 97 H 8.09 4.26 0.00 2.98 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.85 3.57 0.00 1.87 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.41 7.81 99 I 8.01 4.19 2.04 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 1.35 1.16 1.09 0.00 0.00 100 P 0.00 4.64 0.00 1.61 1.76 0.00 2.78 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 1.01 1.74 0.00 101 I 8.54 3.53 1.78 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.23 0.76 0.00 0.00 102 K 7.92 3.68 0.00 1.73 1.65 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 0.75 7.81 103 Y 7.91 4.02 0.00 3.15 3.01 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 0.00 104 L 7.83 4.17 0.00 1.86 1.79 0.65 0.80 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 0.00 105 E 7.89 4.01 0.00 1.97 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 2.47 2.44 0.00 106 F 7.86 4.46 0.00 3.24 2.80 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 0.00 107 I 8.18 3.80 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 1.07 0.00 0.00 108 S 8.23 4.20 0.00 4.22 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.40 4.09 0.00 2.28 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 0.00 2.67 2.61 0.00 110 A 8.25 4.04 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 0.00 111 I 8.15 3.70 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 1.04 0.00 0.00 112 I 7.71 3.83 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.69 1.11 0.00 0.00 113 H 8.39 4.04 0.00 3.40 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.59 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 0.93 0.00 0.00 0.94 0.00 0.00 115 L 8.21 3.87 0.00 0.90 0.45 0.74 0.60 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 0.00 116 H 7.78 4.50 0.00 3.49 3.55 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.00 4.17 0.00 3.97 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 0.00 118 R 7.72 4.23 0.00 1.62 1.66 0.00 3.17 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 119 H 7.90 4.92 0.00 3.21 3.19 0.00 5.65 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 0.00 120 P 0.00 4.27 0.00 2.20 2.25 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.10 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 0.00 122 D 7.71 4.95 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.19 4.93 0.00 2.99 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 0.00 124 G 7.61 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 0.00 125 A 8.44 3.88 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 0.00 126 D 7.93 4.18 0.00 2.85 2.88 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 0.00 127 A 7.70 3.99 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 0.00 128 Q 7.71 3.35 0.00 1.65 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 129 G 8.22 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.86 3.86 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 0.00 131 M 8.19 4.04 0.00 2.36 2.39 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 2.74 2.87 0.00 132 N 8.25 4.37 0.00 2.98 2.78 0.00 0.00 7.18 6.41 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 0.00 133 K 8.07 4.05 0.00 1.97 1.64 0.00 1.69 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.37 7.81 134 A 7.99 3.91 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 0.00 135 L 8.20 4.13 0.00 1.89 1.81 0.99 0.66 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 0.00 136 E 8.23 4.05 0.00 2.18 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 2.34 2.53 0.00 137 L 7.98 4.00 0.00 1.90 1.96 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.32 4.13 0.00 3.14 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 0.00 139 R 8.17 3.55 0.00 2.12 1.87 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 140 K 7.94 3.87 0.00 1.98 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.13 4.36 0.00 2.68 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 0.00 142 I 7.38 3.55 1.29 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.17 0.28 0.00 0.00 143 A 7.75 3.67 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 0.00 144 A 7.76 4.00 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 0.00 145 K 7.80 4.04 0.00 1.97 1.96 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 146 Y 8.56 4.17 0.00 3.10 3.11 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 0.00 147 K 8.27 3.95 0.00 1.97 1.98 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.88 3.95 0.00 2.06 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 0.00 2.35 2.39 0.00 149 L 7.80 4.32 0.00 2.05 1.95 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.14 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.74 4.10 0.00 2.68 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 0.00 152 Q 7.93 3.20 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 153 G 8.49 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