NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4165 0.0000 0.0000 62.9539 32.7755 174.5400 8 E 4.4796 7.8873 115.1366 52.2204 32.4959 173.0253 9 T 4.2766 8.9744 111.6919 60.8118 72.0634 176.6460 10 L 4.0746 8.3739 120.5257 58.1902 41.6075 179.6227 11 E 3.9876 8.2669 117.6082 59.4471 29.3845 179.2411 12 A 3.9987 7.6829 119.9174 54.9611 18.4848 179.4807 13 R 4.0575 7.9887 118.6660 59.1874 30.3051 178.6451 14 I 3.4283 8.1013 118.3450 63.7628 37.4344 177.5484 15 N 4.2835 8.1578 117.6642 56.2535 38.1326 177.3435 16 R 3.9105 8.0089 119.0495 59.2382 30.3214 178.0355 17 A 4.1346 7.8412 118.9551 53.6230 18.4007 177.8960 18 T 4.1258 7.1135 105.4303 60.6733 69.5110 173.3684 19 N 4.2189 7.7366 120.8787 53.6189 38.8427 173.8529 20 P 4.5092 0.0000 0.0000 65.2640 31.3885 177.3439 21 L 4.2223 8.1565 118.5694 56.7738 41.9291 177.2642 22 N 4.3154 8.1834 115.9846 54.1298 38.7845 175.2121 23 K 4.1544 8.7074 121.5335 58.0562 32.8215 176.4992 24 E 4.8158 8.1768 116.7260 54.7678 32.2312 174.1580 25 L 3.5638 8.4963 123.0191 55.0270 42.0204 178.0364 26 D 4.6816 8.1361 123.5590 52.4476 39.9159 176.3637 27 W 4.2313 8.3416 125.0901 59.1211 29.4738 177.4255 28 A 4.0794 8.2407 120.4526 55.3460 17.9822 179.7327 29 S 4.1558 8.1171 113.6153 61.4892 62.7899 176.8470 30 I 3.6192 7.8641 122.5891 64.5453 36.9004 178.1252 31 N 4.5352 8.6629 117.5142 56.4914 38.3975 177.7195 32 G 3.7834 8.1263 106.7641 47.6018 0.0000 175.5709 33 F 4.0797 8.1981 122.5548 61.3562 39.5150 176.5922 34 C 3.9950 8.0164 116.1818 60.0493 39.8083 175.9961 35 E 3.8217 8.2824 119.0583 59.4231 29.4266 178.8545 36 Q 3.9631 8.4615 119.8737 59.0318 29.1508 178.0405 37 L 3.6690 7.6520 121.3483 58.2321 42.1684 178.7172 38 N 4.3285 8.0216 116.0673 55.2520 38.0748 176.1515 39 E 4.3079 7.4475 117.2712 55.6056 30.4222 174.6138 40 D 4.5803 7.5296 120.0046 52.0724 42.3719 177.2816 41 F 4.2398 8.4628 125.6821 60.1230 39.3633 175.8669 42 E 4.5574 9.6058 119.1122 55.9084 29.4000 177.5914 43 G 3.7327 7.5161 106.3263 47.8204 0.0000 173.8315 44 P 4.4422 0.0000 0.0000 64.8307 31.1760 177.0424 45 P 4.3708 0.0000 0.0000 65.3791 31.3775 178.5811 46 L 4.0117 7.6656 117.7010 58.1605 42.0646 178.9088 47 A 4.3207 8.4598 121.1258 55.3636 18.2762 179.6784 48 T 3.6893 7.9683 114.3563 66.9432 68.4785 177.0017 49 R 4.0577 7.7587 118.7209 59.3293 30.1383 179.2036 50 L 4.0952 7.9761 118.3461 57.7120 41.5535 179.5700 51 L 4.0067 8.6412 119.2136 57.6396 41.7360 179.1480 52 A 3.9679 8.4241 120.7751 55.5887 18.1038 178.9881 53 H 4.0546 7.8026 114.5761 59.6563 30.3020 177.3531 54 K 4.0355 8.0454 119.9308 59.3758 31.5620 179.4961 55 I 3.7742 7.7726 119.7438 64.1174 37.0709 177.5715 56 Q 4.2100 7.5826 115.5418 55.2983 28.9586 176.2660 57 S 4.1631 7.4155 116.9915 57.4899 62.9635 173.4690 58 P 4.2194 0.0000 0.0000 65.4828 31.6351 177.1233 59 Q 4.1638 7.5376 116.6618 55.1835 29.2144 176.3491 60 E 3.9765 8.8606 126.5340 59.1681 29.8400 178.4956 61 W 4.5356 8.2541 127.8872 60.3099 30.6682 177.5165 62 E 3.7835 8.1636 118.9018 59.0844 29.2442 178.4609 63 A 4.0387 7.7935 120.3715 55.1502 18.4053 179.6797 64 I 3.6224 7.9041 118.5082 64.5665 37.1684 178.7498 65 Q 3.4110 7.4041 118.6087 58.6800 28.5592 178.6678 66 A 3.8954 7.9716 121.7942 54.8077 18.2605 179.5117 67 L 4.1445 7.8191 117.5988 57.7964 41.7425 179.5979 68 T 3.9003 7.6722 116.1207 66.3238 68.3135 177.0058 69 V 3.5067 7.6521 120.2625 65.7497 31.5900 177.5969 70 L 4.1154 7.7645 119.6416 58.3590 41.8596 178.4379 71 E 4.2825 8.5266 119.0358 59.8391 29.5949 178.8929 72 T 4.0997 8.1885 115.5376 67.1093 68.6299 176.0688 73 C 4.1458 8.8455 118.5984 60.1659 39.8329 176.0532 74 M 4.1964 8.1683 119.5637 58.2333 31.5299 178.7340 75 K 4.2182 7.6322 116.5794 59.4472 32.5718 179.0941 76 S 4.4240 7.9373 112.7883 59.7856 63.1573 175.2207 77 C 5.0694 7.3360 118.8230 58.3849 29.3420 175.1844 78 G 3.7622 7.8934 110.4522 44.8023 0.0000 173.3296 79 K 3.8058 8.5742 118.1704 59.9046 32.0352 179.0156 80 R 3.9032 8.0364 115.4895 59.4209 29.0474 178.2588 81 F 4.1720 7.9960 120.5196 61.0420 39.4739 176.8588 82 H 3.8996 8.1083 115.8442 58.8877 28.2751 177.2881 83 D 4.2862 8.0549 119.6636 57.6488 40.7747 178.6342 84 E 3.9587 7.2344 116.6302 59.2946 29.7235 179.3434 85 V 3.1881 7.1949 118.4773 65.2383 31.1449 177.6186 86 G 3.8848 7.6703 102.6545 44.2393 0.0000 173.1300 87 K 4.6070 7.3210 120.3031 54.4149 34.1019 177.1669 88 F 3.9996 9.1537 124.6328 61.9876 38.8924 177.9436 89 R 3.9774 8.2251 115.3739 59.1989 30.1854 178.4785 90 F 4.1898 8.0940 119.8079 61.2704 39.5872 177.1601 91 L 3.8844 8.0725 118.7246 57.8611 41.3542 179.1281 92 N 3.9642 7.8709 116.9084 56.2908 38.4732 176.8548 93 E 3.7935 7.2897 119.1052 58.8812 29.7117 178.9504 94 L 3.9426 7.1830 118.7170 57.7160 41.9529 179.0486 95 I 3.6263 7.6489 119.8214 64.5646 36.6909 178.4209 96 K 3.7603 7.6079 118.5649 59.6038 31.8935 179.6315 97 V 3.7097 7.7375 112.4146 63.3577 31.3251 177.9638 98 V 4.1512 7.4888 109.2479 61.1235 32.5283 175.4889 99 S 4.6874 7.7105 115.9482 55.8173 63.4436 172.5197 100 P 4.3201 0.0000 0.0000 65.7898 31.2243 177.5579 101 K 3.8632 7.7912 117.9705 58.2998 31.9326 175.6285 102 Y 4.4416 7.8502 114.4908 57.9126 39.9693 175.5008 103 L 4.8461 7.5339 117.0137 55.8442 41.9885 179.3463 104 G 4.0105 8.2745 110.6697 48.9539 0.0000 176.6840 105 S 4.1660 8.1210 114.4606 60.7900 63.1619 175.2589 106 R 4.2865 7.4641 114.5786 56.6491 29.9906 176.7271 107 T 4.1442 7.2014 116.0796 62.8349 69.2031 175.2475 108 S 4.2455 8.5379 120.9918 58.4519 64.8588 174.9714 109 E 3.8906 8.9068 124.3370 59.6577 29.2578 179.5968 110 K 3.9594 7.9445 117.8612 59.3820 32.2746 179.3766 111 V 3.5920 7.5071 118.2282 65.8553 31.4874 178.0785 112 K 3.9192 8.3056 118.5573 59.6359 31.9014 178.8501 113 N 4.2986 8.6638 116.8978 56.4321 38.5211 177.5489 114 K 3.9381 8.1211 119.5834 59.5084 32.1573 179.4638 115 I 3.6527 7.8099 119.9397 64.4299 37.0163 178.5530 116 L 4.1088 7.9465 119.7952 57.7270 41.3880 179.3464 117 E 3.9741 8.3418 118.6580 59.4322 29.3529 179.5126 118 L 3.3384 7.7162 118.7719 57.3892 41.5551 179.4575 119 L 3.8354 7.5129 118.8159 57.8369 41.6482 178.9213 120 Y 3.1925 7.9181 119.2336 60.6983 38.7396 178.1528 121 S 3.9383 7.9259 115.9498 61.6209 62.8957 177.0039 122 W 4.4787 7.9862 121.5151 59.9137 28.7528 178.6087 123 T 3.8291 7.8776 115.8756 66.5533 67.5923 176.4795 124 V 3.7606 7.0352 118.2240 65.2218 31.8579 177.8932 125 G 3.8949 8.2124 104.3017 45.7305 0.0000 173.9662 126 L 4.9243 8.0580 120.2342 51.0629 42.1618 175.3158 127 P 4.3200 0.0000 0.0000 64.5659 31.7465 177.6713 128 E 4.2343 8.0239 117.3873 58.0048 30.1153 175.7235 129 E 4.5107 8.1386 120.3500 54.8721 28.1848 176.9874 130 V 3.6314 7.9071 122.9269 65.5056 31.8921 176.9861 131 K 4.0403 8.0765 119.1658 59.3107 32.0127 178.6378 132 I 3.8008 7.6758 120.1517 64.5072 37.1399 178.2870 133 A 4.2154 7.9770 122.2229 54.5706 18.1798 179.4116 134 E 3.9990 8.3008 117.2621 59.4036 29.5646 179.3182 135 A 4.0020 8.2822 120.9234 55.2299 18.5012 178.9454 136 Y 3.9917 8.2733 118.0344 61.1453 38.9399 178.1550 137 Q 3.9877 8.3126 118.8651 59.3191 28.8246 178.8372 138 M 3.9855 8.0509 118.9091 58.7791 32.2059 178.2683 139 L 3.9391 7.7586 118.9153 57.5377 41.7340 179.4651 140 K 3.7409 7.7804 119.5087 59.4527 31.9796 179.0581 141 K 4.0801 8.4832 117.1746 58.4349 32.0130 178.2033 142 Q 4.4688 7.6666 116.0210 55.0799 29.4300 176.4849 143 G 3.9558 7.9276 108.6198 45.3318 0.0000 174.8331 144 I 3.7527 7.7716 121.1188 64.0884 37.3321 176.3597 145 V 3.7502 7.4968 122.8433 62.9977 31.3584 175.3307 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 7 P 0.00 4.42 0.00 2.19 2.14 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 8 E 7.89 4.48 0.00 2.21 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 2.27 2.38 0.00 9 T 8.97 4.28 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 10 L 8.37 4.07 0.00 1.78 1.87 0.66 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.27 3.99 0.00 2.00 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 2.45 2.36 0.00 12 A 7.68 4.00 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 13 R 7.99 4.06 0.00 2.26 2.32 0.00 3.36 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 14 I 8.10 3.43 1.54 0.00 0.00 -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 1.22 0.72 0.95 0.00 0.00 15 N 8.16 4.28 0.00 2.96 2.83 0.00 0.00 6.58 7.69 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 16 R 8.01 3.91 0.00 1.90 2.09 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 17 A 7.84 4.13 1.13 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 0.00 0.00 18 T 7.11 4.13 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 19 N 7.74 4.22 0.00 2.90 3.00 0.00 0.00 6.95 7.59 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 20 P 0.00 4.51 0.00 2.29 2.25 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 21 L 8.16 4.22 0.00 1.90 1.81 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.18 4.32 0.00 3.19 3.16 0.00 0.00 7.03 8.39 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 23 K 8.71 4.15 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 24 E 8.18 4.82 0.00 1.92 1.84 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 2.31 2.37 0.00 25 L 8.50 3.56 0.00 1.68 1.07 0.72 1.16 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 26 D 8.14 4.68 0.00 2.75 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 0.00 0.00 0.00 0.00 27 W 8.34 4.23 0.00 3.47 3.23 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 0.00 28 A 8.24 4.08 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 29 S 8.12 4.16 0.00 4.04 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 30 I 7.86 3.62 1.78 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.89 0.00 0.00 31 N 8.66 4.54 0.00 2.94 2.94 0.00 0.00 7.00 8.43 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 32 G 8.13 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 0.00 0.00 0.00 33 F 8.20 4.08 0.00 3.14 3.22 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 34 C 8.02 3.99 0.00 3.08 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 35 E 8.28 3.82 0.00 1.85 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 2.30 2.45 0.00 36 Q 8.46 3.96 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 37 L 7.65 3.67 0.00 1.34 1.56 0.35 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.02 4.33 0.00 2.91 2.75 0.00 0.00 6.84 6.94 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 39 E 7.45 4.31 0.00 1.80 1.72 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 2.10 2.08 0.00 40 D 7.53 4.58 0.00 2.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.46 4.24 0.00 3.09 3.07 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 42 E 9.61 4.56 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 43 G 7.52 3.73 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 0.00 44 P 0.00 4.44 0.00 2.17 2.30 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 45 P 0.00 4.37 0.00 2.17 2.10 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 46 L 7.67 4.01 0.00 1.97 1.82 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.46 4.32 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 48 T 7.97 3.69 4.48 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 0.00 0.00 0.00 1.26 0.00 0.00 49 R 7.76 4.06 0.00 2.10 2.04 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 50 L 7.98 4.10 0.00 1.98 1.77 1.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.64 4.01 0.00 2.07 1.95 1.20 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.42 3.97 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 53 H 7.80 4.05 0.00 3.15 3.38 0.00 5.76 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 54 K 8.05 4.04 0.00 1.78 1.75 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.53 7.81 55 I 7.77 3.77 2.03 0.00 0.00 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 1.54 0.56 0.88 0.00 0.00 56 Q 7.58 4.21 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 57 S 7.42 4.16 0.00 3.91 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.22 0.00 2.22 2.17 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 1.98 1.99 0.00 59 Q 7.54 4.16 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 60 E 8.86 3.98 0.00 2.07 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 2.49 2.42 0.00 61 W 8.25 4.54 0.00 3.33 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 62 E 8.16 3.78 0.00 2.04 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 2.28 2.43 0.00 63 A 7.79 4.04 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 64 I 7.90 3.62 1.87 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 1.67 0.96 0.99 0.00 0.00 65 Q 7.40 3.41 0.00 1.70 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 66 A 7.97 3.90 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 67 L 7.82 4.14 0.00 1.76 1.73 0.91 0.51 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 68 T 7.67 3.90 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 0.94 0.00 0.00 69 V 7.65 3.51 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 0.67 0.00 0.00 70 L 7.76 4.12 0.00 2.05 2.07 1.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.53 4.28 0.00 2.30 2.25 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 2.48 2.54 0.00 72 T 8.19 4.10 4.50 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 1.41 0.00 0.00 73 C 8.85 4.15 0.00 2.49 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 0.00 0.00 0.00 74 M 8.17 4.20 0.00 1.97 2.54 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 3.04 0.00 75 K 7.63 4.22 0.00 2.03 1.91 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.75 7.81 76 S 7.94 4.42 0.00 3.79 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 77 C 7.34 5.07 0.00 2.77 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 78 G 7.89 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 79 K 8.57 3.81 0.00 1.80 1.83 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.53 7.81 80 R 8.04 3.90 0.00 2.07 2.18 0.00 2.99 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 81 F 8.00 4.17 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 82 H 8.11 3.90 0.00 3.26 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.05 4.29 0.00 2.54 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 84 E 7.23 3.96 0.00 1.80 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 2.37 2.37 0.00 85 V 7.19 3.19 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 0.48 0.00 0.00 -0.37 0.00 0.00 86 G 7.67 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 87 K 7.32 4.61 0.00 2.01 1.80 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.52 7.81 88 F 9.15 4.00 0.00 3.20 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 89 R 8.23 3.98 0.00 1.92 2.08 0.00 3.71 0.00 0.00 3.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 90 F 8.09 4.19 0.00 3.11 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.07 3.88 0.00 1.62 1.65 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 92 N 7.87 3.96 0.00 1.70 2.25 0.00 0.00 7.20 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.29 3.79 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 94 L 7.18 3.94 0.00 1.72 1.61 1.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.65 3.63 1.86 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 1.48 1.16 0.87 0.00 0.00 96 K 7.61 3.76 0.00 1.75 1.67 0.00 1.38 0.00 0.00 1.29 0.00 0.00 2.50 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.08 7.81 97 V 7.74 3.71 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 0.92 0.00 0.00 0.95 0.00 0.00 98 V 7.49 4.15 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 0.63 0.00 0.00 0.96 0.00 0.00 99 S 7.71 4.69 0.00 3.90 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 0.00 100 P 0.00 4.32 0.00 2.05 2.12 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 101 K 7.79 3.86 0.00 1.51 1.66 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.96 7.81 102 Y 7.85 4.44 0.00 3.09 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 0.00 103 L 7.53 4.85 0.00 1.78 1.82 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.27 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 0.00 0.00 0.00 105 S 8.12 4.17 0.00 3.98 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 0.00 106 R 7.46 4.29 0.00 1.95 2.09 0.00 3.19 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 107 T 7.20 4.14 4.24 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 1.21 0.00 0.00 108 S 8.54 4.25 0.00 4.06 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 0.00 109 E 8.91 3.89 0.00 2.05 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 2.38 2.42 0.00 110 K 7.94 3.96 0.00 1.87 1.88 0.00 1.98 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.51 7.81 111 V 7.51 3.59 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 1.02 0.00 0.00 0.95 0.00 0.00 112 K 8.31 3.92 0.00 2.00 1.84 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 113 N 8.66 4.30 0.00 2.96 2.87 0.00 0.00 7.10 8.46 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 0.00 114 K 8.12 3.94 0.00 2.02 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.65 7.81 115 I 7.81 3.65 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.06 0.89 0.00 0.00 116 L 7.95 4.11 0.00 1.73 1.81 0.91 0.99 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 0.00 117 E 8.34 3.97 0.00 2.17 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 2.32 2.52 0.00 118 L 7.72 3.34 0.00 1.23 0.13 0.89 0.26 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 0.00 119 L 7.51 3.84 0.00 1.93 1.91 1.12 0.62 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 0.00 120 Y 7.92 3.19 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.93 3.94 0.00 3.72 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 0.00 122 W 7.99 4.48 0.00 3.50 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.88 3.83 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 1.00 0.00 0.00 124 V 7.04 3.76 1.72 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 0.71 0.00 0.00 0.43 0.00 0.00 125 G 8.21 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 0.00 126 L 8.06 4.92 0.00 1.67 1.55 0.53 1.14 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 0.00 127 P 0.00 4.32 0.00 2.03 2.10 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 128 E 8.02 4.23 0.00 2.06 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 2.36 2.38 0.00 129 E 8.14 4.51 0.00 1.94 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 2.24 2.25 0.00 130 V 7.91 3.63 2.10 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 1.06 0.00 0.00 0.95 0.00 0.00 131 K 8.08 4.04 0.00 1.95 1.94 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.70 7.81 132 I 7.68 3.80 2.10 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 1.60 0.46 1.18 0.00 0.00 133 A 7.98 4.22 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 0.00 134 E 8.30 4.00 0.00 2.33 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 2.38 2.38 0.00 135 A 8.28 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.27 3.99 0.00 3.13 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 0.00 137 Q 8.31 3.99 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 138 M 8.05 3.99 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 139 L 7.76 3.94 0.00 1.80 1.54 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.78 3.74 0.00 1.77 1.77 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.26 7.81 141 K 8.48 4.08 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 142 Q 7.67 4.47 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.64 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 143 G 7.93 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 0.00 144 I 7.77 3.75 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.88 0.00 0.00 145 V 7.50 3.75 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 0.75 0.00 0.00 0.61 0.00 0.00