NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.4121 0.0000 0.0000 61.6951 32.4376 176.6786 21 S 4.1452 8.6434 110.3332 61.0669 62.5799 173.4881 22 L 4.9498 8.0418 121.0254 54.2278 42.6826 183.0324 23 A 4.0545 7.7421 123.8251 56.1318 18.0505 180.0705 24 D 4.4526 8.2243 116.3544 56.4450 41.4151 179.0158 25 S 4.1559 8.6713 116.3828 61.8156 62.8720 176.9052 26 K 3.9563 8.2479 120.6242 59.4261 31.7909 179.2651 27 A 3.9994 7.7569 121.1021 55.2119 18.2913 180.1322 28 V 3.7188 8.2853 118.0965 64.7159 31.5979 178.6112 29 L 4.1863 8.3015 119.8986 57.7913 41.4797 178.9987 30 N 4.2359 8.4183 117.1097 56.4246 38.7390 176.5584 31 Q 4.1941 8.3842 120.8798 59.4611 29.1400 178.2565 32 A 4.1778 8.4461 121.7473 55.3046 18.4221 179.6534 33 V 3.5541 7.9201 116.2839 66.1845 31.6091 178.2009 34 A 4.1588 8.3504 120.3607 55.5009 18.3061 179.4423 35 D 4.4057 8.5638 117.6790 57.4264 40.8609 179.0548 36 L 4.1823 8.6867 120.0444 57.6714 41.6644 179.6101 37 S 3.8724 7.8875 115.1909 61.5777 62.6258 177.0005 38 V 3.5893 7.7353 120.5882 65.8539 31.2436 177.7344 39 A 3.9981 8.4733 121.0316 55.4213 18.1229 178.9320 40 H 3.9793 8.4275 116.7081 59.5185 29.9192 177.2071 41 S 4.0757 7.8997 114.2294 61.5611 62.2161 176.2366 42 I 3.6550 7.8898 122.3299 64.4494 36.7848 178.4151 43 L 3.9620 7.9977 119.8318 58.0572 41.4248 179.1604 44 H 3.7065 8.2160 118.3658 58.8538 29.5941 176.9665 45 Q 4.1673 8.0199 121.5102 59.3729 28.3410 178.6700 46 V 3.6235 7.8487 119.0781 66.1919 31.3277 177.1490 47 H 4.1362 8.1807 117.1944 59.3230 29.6592 176.8733 48 W 4.7905 8.0294 119.0225 59.7844 28.9611 177.5900 49 Y 4.2032 8.5589 114.6497 57.1042 37.7090 175.2394 50 M 4.5310 7.4980 120.3399 55.8253 32.9194 175.7142 51 R 4.6379 8.8708 123.9105 54.7779 34.5895 173.8203 52 G 4.3282 9.0799 106.9993 42.6539 0.0000 173.1357 53 R 4.1458 8.2973 119.9138 57.6181 30.4647 177.3300 54 G 4.2952 9.4595 109.6409 45.3909 0.0000 175.0192 55 F 4.1938 8.6769 122.4590 61.9456 39.0757 176.7909 56 M 4.3870 8.2451 115.4402 58.1657 32.1993 177.8262 57 I 3.7201 7.5423 119.6938 63.9188 37.6359 177.9549 58 W 4.1951 8.0634 119.4224 59.2913 28.5527 177.9018 59 H 3.8353 8.4035 119.1092 59.0150 29.1196 175.4756 60 P 3.8994 0.0000 0.0000 65.5400 31.1345 178.0385 61 K 3.5517 7.5753 119.6278 59.5532 31.8656 178.5638 62 M 4.0233 7.9583 118.9348 58.3233 31.7786 178.2907 63 D 4.1605 7.4058 118.6928 57.3994 41.0026 178.8065 64 E 3.8865 7.6747 118.3664 59.6019 29.4119 178.9976 65 Y 4.4867 7.7944 116.7306 61.4880 37.9480 178.6709 66 M 4.0591 8.4409 119.9279 58.2819 32.0583 178.2207 67 E 3.8529 8.2435 119.4869 59.3285 29.7848 178.5137 68 E 3.6025 8.1304 118.9823 59.2924 29.7440 178.6181 69 I 3.7926 8.0302 120.1644 64.7978 37.2421 178.1918 70 D 4.4776 8.6488 120.0412 57.0589 40.5974 179.1592 71 G 3.4537 7.7680 106.3702 48.0291 0.0000 175.3891 72 Y 4.3432 7.4573 119.5910 60.5042 37.8516 178.5090 73 L 4.0004 8.0185 121.2485 58.2832 42.1986 178.5742 74 D 4.3132 8.1257 117.8883 57.2828 41.1241 177.8253 75 E 3.8785 8.1143 119.6954 59.5641 29.7045 178.7466 76 M 3.9257 8.3092 119.3169 58.2369 32.0194 178.8630 77 S 4.1455 8.1618 114.4574 61.7137 63.1535 176.5161 78 E 4.0019 8.4654 122.4397 58.6503 29.1552 179.2807 79 R 3.8391 8.1550 119.1824 59.2023 30.0900 178.1596 80 L 3.9231 7.9263 120.1119 58.3533 42.0723 178.9433 81 I 3.6946 7.8426 119.5544 64.8677 36.8141 178.5887 82 T 3.9382 7.7002 115.3663 66.4121 68.3818 176.0882 83 L 4.3182 8.1632 118.2116 55.1039 41.6252 177.7215 84 G 3.8067 8.0436 107.5471 45.5811 0.0000 174.0351 85 G 3.8024 8.0408 109.4165 43.8619 0.0000 173.8964 86 A 4.4964 7.9699 121.3532 49.0158 19.6940 174.0587 87 P 4.4534 0.0000 0.0000 62.9812 32.1423 176.9265 88 F 4.7204 8.4163 120.1704 58.9430 39.2573 176.5052 89 S 4.8469 8.6895 118.1533 57.5929 63.9347 174.4301 90 T 4.4725 6.9930 110.1805 59.6917 72.8345 174.0163 91 L 3.9389 8.1261 122.2020 57.6461 41.6208 179.5300 92 K 3.7791 7.8901 119.1403 59.7869 32.0463 178.4698 93 E 3.6602 7.6402 118.0870 59.1192 29.2804 179.4525 94 F 4.3764 7.5555 117.8147 60.6918 38.8356 177.6782 95 S 4.1154 8.1544 111.5355 61.6179 62.3538 175.8755 96 E 4.0566 8.2265 119.8690 58.7046 29.2170 178.1796 97 N 4.5675 7.5171 114.6465 53.2906 39.6224 175.6699 98 S 4.4954 7.5179 114.9274 58.3125 62.9444 173.8809 99 Q 4.2342 8.7840 124.7689 56.3847 29.0867 176.1752 100 L 4.0609 7.5909 121.2080 54.1666 42.6461 176.7622 101 K 4.5715 8.2355 123.2702 52.7324 34.0238 174.6795 102 E 4.7322 8.4986 122.3000 53.9463 31.5698 175.8164 103 V 4.5004 7.7664 114.4702 58.8836 35.0844 175.7235 104 L 4.0208 8.2661 121.7242 54.5825 42.0697 177.8071 105 G 2.5030 7.9287 110.7996 45.3011 0.0000 172.9285 106 D 4.4241 7.4119 120.9837 52.8377 43.6130 175.5876 107 Y 4.7150 8.6701 123.8062 59.6339 38.1732 176.3285 108 N 4.6792 8.4482 116.2670 53.7716 39.2111 175.8177 109 V 3.8172 7.2395 118.8243 62.9516 32.1975 176.3979 110 T 4.2950 8.9860 117.8884 61.0791 70.8904 175.8539 111 I 3.6586 8.2980 122.7492 65.0037 37.2252 178.6183 112 E 3.8816 8.0730 118.3901 59.1335 29.2785 179.1087 113 E 3.9733 8.1649 119.0111 59.2196 29.5178 179.2611 114 Q 3.9134 8.1743 118.3798 58.9192 28.7108 178.7054 115 L 3.6772 8.0654 120.1592 57.5623 41.5015 179.4261 116 A 3.8747 7.8124 120.6687 55.0929 18.2754 179.9305 117 R 3.7574 7.7521 116.6206 59.2544 30.0496 179.4187 118 V 3.1820 7.5343 117.9772 65.8117 31.4257 177.9737 119 V 3.5092 7.7632 120.5634 66.8402 31.2694 178.4824 120 E 4.0033 8.1429 117.8534 60.9869 29.4734 181.0733 121 V 3.8155 7.7297 119.2939 66.0559 31.6073 178.2465 122 F 4.4522 8.5227 117.9137 60.5815 38.6862 177.8534 123 R 3.9347 8.5613 118.2601 59.3465 29.8280 178.2532 124 Y 3.9433 7.9645 119.0923 60.8932 38.7811 178.1922 125 L 3.3294 8.1769 119.5771 57.5369 41.5428 179.4692 126 A 3.9165 7.9872 120.4444 55.0522 18.3179 179.6006 127 A 3.7840 7.7150 119.2787 55.0300 18.3492 179.6094 128 L 3.6267 7.5079 119.2612 58.2399 41.9824 179.3128 129 F 4.5400 8.1397 118.2225 60.3391 38.7529 177.3781 130 Q 3.9266 8.3056 119.5806 59.3637 28.8801 178.8008 131 K 4.0139 8.0631 119.4558 59.2171 31.9780 179.6118 132 G 2.3445 7.7556 106.2529 47.0924 0.0000 175.4671 133 F 4.0096 8.1398 123.2335 61.1750 39.5241 176.8544 134 D 4.4089 8.4096 118.5385 57.3712 40.5204 179.1289 135 V 3.5227 8.1394 119.1445 66.0681 31.3554 178.1864 136 S 4.4206 7.9958 115.3904 60.8182 62.8212 175.7613 137 D 4.1851 8.4820 124.3535 57.8795 40.7671 178.9660 138 E 4.0884 8.0197 116.6553 60.1390 29.7731 179.5505 139 E 4.6858 7.6396 114.8426 55.9284 30.0531 176.6900 140 G 3.7905 7.5343 106.7126 46.6095 0.0000 174.9004 141 D 4.6077 7.7498 121.6234 52.8261 39.8294 176.5932 142 S 4.1239 8.1216 120.9916 60.4651 63.4860 176.4838 143 V 3.4695 7.6706 121.5529 66.3132 31.4395 177.7039 144 T 3.7805 7.8051 115.4126 66.7558 68.3000 175.7443 145 N 4.3252 8.0447 120.0730 56.1598 38.7724 176.4054 146 D 4.3545 8.1035 119.1740 57.2433 41.4478 177.7980 147 I 3.5168 7.6008 120.3861 64.7635 37.0768 178.1411 148 F 3.7909 7.8659 118.0094 60.5815 38.8728 177.3760 149 N 4.3260 8.2977 116.6183 56.6908 38.6830 177.1770 150 V 3.5505 8.1093 119.8155 65.7404 31.5342 177.8985 151 A 3.3568 7.3431 121.5125 54.2182 17.9879 179.3964 152 K 3.9892 7.9862 118.0703 59.6330 32.2136 178.6477 153 A 3.9617 7.8207 120.6462 55.2997 18.2333 179.6600 154 S 3.9917 7.8672 111.2848 61.6004 62.5691 176.1066 155 I 3.4596 7.9440 122.7104 64.6841 36.8255 178.2718 156 E 4.0825 8.4330 119.2534 59.0880 29.3771 179.1720 157 K 4.2333 8.1534 119.8488 60.0305 32.1846 178.5468 158 H 4.4499 8.5297 116.6978 58.9138 28.4985 177.8354 159 I 3.8292 8.0019 121.6695 64.1161 36.9035 177.9976 160 W 4.4241 8.3360 129.1941 61.0450 30.3934 177.9515 161 M 3.3023 7.7118 117.7465 58.1086 31.4045 178.7501 162 L 4.0245 8.2756 119.4531 58.0229 41.8156 179.6879 163 Q 4.0084 8.4940 118.0360 58.7137 28.5342 178.6657 164 A 4.0146 8.2604 122.1535 55.0967 18.2231 179.0098 165 E 3.9749 8.1634 116.8597 59.6265 29.7662 178.4681 166 L 4.3458 7.6348 115.0246 54.4843 41.6098 177.2499 167 G 3.9351 8.1429 106.9733 46.4765 0.0000 173.6294 168 Q 4.6445 8.4525 116.7969 53.1158 32.4190 175.3520 169 A 4.3874 8.3171 122.1133 51.3345 19.2387 176.2217 170 P 4.4025 0.0000 0.0000 64.4328 31.7920 177.5984 171 K 3.8456 8.0837 114.7483 57.3052 29.5568 174.9909 172 L 4.1918 7.8830 121.6695 55.1929 41.5248 177.6683 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 20 P 0.00 4.41 0.00 2.01 2.02 0.00 3.69 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 1.92 1.59 0.00 21 S 8.64 4.15 0.00 3.90 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 22 L 8.04 4.95 0.00 1.57 1.56 0.92 0.70 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 23 A 7.74 4.05 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 24 D 8.22 4.45 0.00 2.89 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 25 S 8.67 4.16 0.00 4.07 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 26 K 8.25 3.96 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.70 7.81 27 A 7.76 4.00 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 28 V 8.29 3.72 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 0.80 0.00 0.00 0.79 0.00 0.00 29 L 8.30 4.19 0.00 1.94 1.79 0.97 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.42 4.24 0.00 2.73 2.53 0.00 0.00 6.86 6.34 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 31 Q 8.38 4.19 0.00 2.47 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.79 0.00 32 A 8.45 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.92 3.55 2.46 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 1.24 0.00 0.00 1.03 0.00 0.00 34 A 8.35 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.56 4.41 0.00 2.88 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 36 L 8.69 4.18 0.00 1.78 1.79 1.19 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.89 3.87 0.00 3.35 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 38 V 7.74 3.59 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 1.06 0.00 0.00 1.00 0.00 0.00 39 A 8.47 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.43 3.98 0.00 3.35 3.51 0.00 5.80 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 41 S 7.90 4.08 0.00 3.98 4.08 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 42 I 7.89 3.66 1.96 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 1.48 0.84 0.84 0.00 0.00 43 L 8.00 3.96 0.00 1.77 1.68 1.11 0.87 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 44 H 8.22 3.71 0.00 2.96 2.66 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.02 4.17 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 46 V 7.85 3.62 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 0.94 0.00 0.00 0.95 0.00 0.00 47 H 8.18 4.14 0.00 3.07 3.27 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.03 4.79 0.00 3.75 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 49 Y 8.56 4.20 0.00 3.12 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 50 M 7.50 4.53 0.00 2.33 2.36 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 2.80 2.95 0.00 51 R 8.87 4.64 0.00 2.07 1.82 0.00 3.35 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 52 G 9.08 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 0.00 0.00 0.00 0.00 53 R 8.30 4.15 0.00 1.87 1.97 0.00 3.39 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 54 G 9.46 4.30 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 0.00 55 F 8.68 4.19 0.00 3.36 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 M 8.25 4.39 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 57 I 7.54 3.72 1.59 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 1.43 0.41 0.01 0.00 0.00 58 W 8.06 4.20 0.00 3.51 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 59 H 8.40 3.84 0.00 1.80 2.71 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 3.90 0.00 2.17 2.21 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 61 K 7.58 3.55 0.00 1.51 1.89 0.00 1.09 0.00 0.00 1.23 0.00 0.00 2.64 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 0.62 7.81 62 M 7.96 4.02 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.96 0.00 63 D 7.41 4.16 0.00 2.79 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 64 E 7.67 3.89 0.00 1.93 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 2.19 0.00 65 Y 7.79 4.49 0.00 3.20 3.12 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 66 M 8.44 4.06 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.27 0.00 67 E 8.24 3.85 0.00 2.22 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 0.00 2.27 2.32 0.00 68 E 8.13 3.60 0.00 2.05 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 1.76 2.03 0.00 69 I 8.03 3.79 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.15 1.02 0.00 0.00 70 D 8.65 4.48 0.00 2.75 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 71 G 7.77 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 0.00 0.00 0.00 72 Y 7.46 4.34 0.00 3.23 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.02 4.00 0.00 1.93 1.79 0.89 0.81 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 74 D 8.13 4.31 0.00 2.94 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 75 E 8.11 3.88 0.00 2.22 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 0.00 2.23 2.31 0.00 76 M 8.31 3.93 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.03 0.00 77 S 8.16 4.15 0.00 4.09 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 0.00 78 E 8.47 4.00 0.00 2.12 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 2.33 2.37 0.00 79 R 8.15 3.84 0.00 1.96 2.00 0.00 3.12 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 80 L 7.93 3.92 0.00 1.79 1.86 0.93 0.72 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 81 I 7.84 3.69 2.02 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 1.52 1.01 0.91 0.00 0.00 82 T 7.70 3.94 4.39 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 1.20 0.00 0.00 83 L 8.16 4.32 0.00 1.68 1.70 0.96 1.04 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 84 G 8.04 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.04 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 0.00 0.00 0.00 86 A 7.97 4.50 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 87 P 0.00 4.45 0.00 2.26 2.07 0.00 3.79 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 2.00 0.00 88 F 8.42 4.72 0.00 3.39 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 89 S 8.69 4.85 0.00 3.98 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 90 T 6.99 4.47 4.08 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 1.17 0.00 0.00 91 L 8.13 3.94 0.00 1.69 1.81 1.00 1.02 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 92 K 7.89 3.78 0.00 1.74 1.71 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.49 7.81 93 E 7.64 3.66 0.00 1.87 1.56 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 2.23 2.24 0.00 94 F 7.56 4.38 0.00 3.22 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 95 S 8.15 4.12 0.00 4.03 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 96 E 8.23 4.06 0.00 1.93 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 2.30 2.38 0.00 97 N 7.52 4.57 0.00 2.35 2.77 0.00 0.00 6.95 8.73 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 98 S 7.52 4.50 0.00 4.08 3.78 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 99 Q 8.78 4.23 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 100 L 7.59 4.06 0.00 1.49 1.43 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.24 4.57 0.00 1.75 1.56 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.99 7.81 102 E 8.50 4.73 0.00 1.91 1.85 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 2.19 2.27 0.00 103 V 7.77 4.50 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 0.70 0.00 0.00 0.84 0.00 0.00 104 L 8.27 4.02 0.00 1.54 1.50 0.90 0.88 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 0.00 105 G 7.93 2.50 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 0.00 106 D 7.41 4.42 0.00 2.59 2.35 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 0.00 107 Y 8.67 4.72 0.00 3.14 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 0.00 108 N 8.45 4.68 0.00 2.91 2.90 0.00 0.00 6.89 7.15 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 0.00 109 V 7.24 3.82 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 0.82 0.00 0.00 0.96 0.00 0.00 110 T 8.99 4.29 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 0.00 111 I 8.30 3.66 1.88 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 1.83 1.18 0.84 0.00 0.00 112 E 8.07 3.88 0.00 1.97 1.94 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 2.33 2.36 0.00 113 E 8.16 3.97 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 114 Q 8.17 3.91 0.00 2.12 2.09 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 2.56 2.57 0.00 115 L 8.07 3.68 0.00 1.35 1.30 -0.36 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.81 3.87 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 0.00 117 R 7.75 3.76 0.00 1.98 1.89 0.00 3.06 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 118 V 7.53 3.18 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 0.12 0.00 0.00 0.82 0.00 0.00 119 V 7.76 3.51 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 1.03 0.00 0.00 0.90 0.00 0.00 120 E 8.14 4.00 0.00 2.02 1.94 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 2.24 2.19 0.00 121 V 7.73 3.82 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 1.15 0.00 0.00 0.96 0.00 0.00 122 F 8.52 4.45 0.00 3.19 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 0.00 123 R 8.56 3.93 0.00 2.04 2.01 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 124 Y 7.96 3.94 0.00 3.11 3.16 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 0.00 0.00 0.00 0.00 125 L 8.18 3.33 0.00 1.43 0.81 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.99 3.92 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 0.00 127 A 7.72 3.78 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 0.00 128 L 7.51 3.63 0.00 0.98 1.23 0.86 0.95 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 0.00 129 F 8.14 4.54 0.00 3.17 3.19 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 0.00 130 Q 8.31 3.93 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 131 K 8.06 4.01 0.00 1.85 1.75 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.58 7.81 132 G 7.76 2.34 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 0.00 133 F 8.14 4.01 0.00 3.26 3.21 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 0.00 134 D 8.41 4.41 0.00 2.73 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 0.00 135 V 8.14 3.52 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 1.05 0.00 0.00 0.93 0.00 0.00 136 S 8.00 4.42 0.00 4.26 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 0.00 137 D 8.48 4.19 0.00 2.33 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 0.00 138 E 8.02 4.09 0.00 2.13 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 2.26 2.22 0.00 139 E 7.64 4.69 0.00 1.84 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 140 G 7.53 3.79 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 0.00 0.00 0.00 141 D 7.75 4.61 0.00 2.72 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 0.00 142 S 8.12 4.12 0.00 4.05 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 0.00 143 V 7.67 3.47 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 1.02 0.00 0.00 0.91 0.00 0.00 144 T 7.81 3.78 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 1.40 0.00 0.00 145 N 8.04 4.33 0.00 2.71 2.83 0.00 0.00 6.43 8.65 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 0.00 146 D 8.10 4.35 0.00 2.91 2.62 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 0.00 147 I 7.60 3.52 1.74 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 1.55 0.97 0.50 0.00 0.00 148 F 7.87 3.79 0.00 3.30 3.27 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 0.00 149 N 8.30 4.33 0.00 3.34 3.01 0.00 0.00 6.85 7.86 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 0.00 150 V 8.11 3.55 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 0.98 0.00 0.00 1.02 0.00 0.00 151 A 7.34 3.36 -0.25 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 0.00 152 K 7.99 3.99 0.00 2.07 1.94 0.00 1.58 0.00 0.00 1.56 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.70 7.81 153 A 7.82 3.96 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 0.00 154 S 7.87 3.99 0.00 3.94 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 0.00 155 I 7.94 3.46 1.91 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.15 0.75 0.00 0.00 156 E 8.43 4.08 0.00 2.04 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 0.00 2.35 2.53 0.00 157 K 8.15 4.23 0.00 2.07 2.00 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.78 1.85 7.81 158 H 8.53 4.45 0.00 3.37 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.00 3.83 2.13 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 1.59 1.09 1.00 0.00 0.00 160 W 8.34 4.42 0.00 3.41 3.46 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 0.00 161 M 7.71 3.30 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.15 0.00 162 L 8.28 4.02 0.00 1.76 1.62 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.49 4.01 0.00 2.35 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 164 A 8.26 4.01 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 0.00 165 E 8.16 3.97 0.00 2.21 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 0.00 2.42 2.49 0.00 166 L 7.63 4.35 0.00 1.82 1.65 0.82 0.89 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 0.00 167 G 8.14 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 0.00 168 Q 8.45 4.64 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 169 A 8.32 4.39 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 0.00 170 P 0.00 4.40 0.00 2.13 2.29 0.00 3.90 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 2.10 2.43 0.00 171 K 8.08 3.85 0.00 1.90 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.51 7.81 172 L 7.88 4.19 0.00 1.64 1.59 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00