NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4845 8.1627 120.6125 55.5171 34.0487 173.7581 2 D 5.0082 8.4506 124.9492 52.2174 44.8905 172.1104 3 I 4.5283 9.2941 127.7539 59.4105 40.8688 174.1433 4 I 4.7389 8.0693 127.4092 59.4272 39.2692 174.9843 5 F 4.9594 8.8631 127.6647 57.2433 40.3764 175.4380 6 V 5.4698 8.8412 122.0509 59.7427 34.7166 173.7121 7 C 5.1476 8.4741 124.4346 57.6337 35.3451 174.5117 8 T 3.7537 8.7134 113.8563 64.6174 67.9764 175.7044 9 G 3.9266 7.7889 107.1172 44.0146 0.0000 172.9109 10 N 4.5949 8.6093 124.3126 54.9531 38.9391 176.7130 11 T 4.0767 7.8065 105.7294 64.3928 69.1460 174.8679 12 C 4.5029 8.1305 119.4953 63.0652 28.4486 173.4947 13 R 4.6789 7.9084 116.7969 56.2255 36.2805 176.3741 14 S 4.1156 7.9761 114.2583 61.3412 62.8651 175.1042 15 P 4.1905 0.0000 0.0000 65.6382 30.9971 178.3892 16 M 4.0275 8.0066 118.3023 58.3455 31.9063 178.2850 17 A 3.6585 7.6808 120.8804 54.6624 17.8418 179.1934 18 E 4.0212 7.9941 117.7285 59.5931 29.7982 179.0662 19 A 4.0554 8.0462 120.6503 55.0457 18.3896 179.6166 20 L 3.9198 8.1484 117.7819 58.0394 41.7560 179.6226 21 F 3.9706 8.6441 120.9699 60.8217 39.3027 177.3287 22 K 3.9532 8.4849 118.6216 59.6611 31.9272 179.4101 23 S 4.0903 8.0460 115.2076 61.7346 62.6662 176.9485 24 I 3.6223 8.0089 122.6855 64.0661 36.7545 178.3598 25 A 3.7115 7.8845 122.1151 55.0788 18.3104 179.5658 26 E 3.9128 8.2229 117.1208 59.4206 29.2497 179.7811 27 R 3.9684 7.6935 117.3306 59.3839 30.2899 178.6631 28 E 4.1941 8.2790 116.5741 56.6848 29.5532 177.6024 29 G 3.8604 7.4469 105.3140 46.2454 0.0000 173.9825 30 L 4.2034 7.6179 118.9282 54.1341 42.2027 176.5001 31 N 4.8627 8.4530 117.7823 52.1963 40.6331 173.4548 32 V 4.7422 8.1557 117.4565 60.3702 36.6106 173.3271 33 N 5.2271 9.1001 119.2999 52.1878 42.0672 173.5048 34 V 5.1776 8.3424 116.0124 59.9068 36.0168 174.5359 35 R 5.0495 9.0453 119.4900 54.9448 33.5249 173.5592 36 S 5.3764 8.6405 113.3959 57.3157 67.3026 173.2630 37 A 4.8071 8.8810 123.0293 51.3790 23.3022 174.9952 38 G 4.3667 8.4937 103.6066 44.8153 0.0000 174.8801 39 V 3.4937 8.5461 115.8297 62.9947 32.2044 176.8557 40 F 4.9415 8.1276 117.4442 57.0079 40.8054 175.1083 41 A 4.4658 8.0733 120.9698 51.9799 19.6738 177.4780 42 S 4.7265 8.3024 112.9599 56.1339 67.4411 174.1275 43 P 4.8773 0.0000 0.0000 63.7110 30.8892 176.4949 44 N 5.0417 8.2310 113.6662 52.3699 39.0720 174.8723 45 G 4.1248 8.1885 107.4731 46.7059 0.0000 172.6234 46 K 5.1535 8.4475 117.9732 55.0508 35.6722 175.0977 47 A 4.1468 8.4361 122.5334 52.8880 18.6916 178.2059 48 T 4.0874 8.5762 112.0317 60.4333 69.7399 173.6434 49 P 4.3540 0.0000 0.0000 64.8297 31.3394 176.9120 50 H 4.6331 7.3491 115.1782 56.6198 30.7528 175.7447 51 A 3.9988 7.3041 122.9756 55.1279 18.2277 180.0658 52 V 3.6103 7.6769 117.7496 64.9779 31.3314 178.2235 53 E 3.9895 8.0735 119.3158 58.8539 29.6083 178.4171 54 A 4.0555 8.3306 121.2125 55.1411 18.4272 179.4000 55 L 4.1497 8.1845 116.8943 57.0352 41.8117 179.2868 56 F 4.1695 8.4449 121.4503 61.0268 39.0704 176.7401 57 E 3.8549 8.4698 118.7844 59.0264 29.5783 178.3873 58 K 3.9596 7.9580 117.8513 56.9511 33.0224 175.4161 59 H 3.8242 7.8915 117.0222 58.2636 28.1554 174.5952 60 I 4.1802 8.0641 118.8023 60.0480 40.2150 176.1940 61 A 3.9324 8.2045 121.3376 52.2198 15.3602 176.2750 62 L 4.0052 7.6202 121.4166 55.1034 43.1143 176.1812 63 N 4.8417 8.4722 122.6269 52.8405 41.8225 172.7901 64 H 4.9249 8.5792 124.1815 54.9111 33.7896 171.8886 65 V 4.8372 7.9369 123.7616 60.9291 34.1843 175.2960 66 S 4.5981 8.9640 124.4249 59.4965 63.9966 173.0580 67 S 4.9864 8.1895 114.4347 56.8768 66.9734 173.0739 68 P 4.5366 0.0000 0.0000 62.7334 32.2370 175.6033 69 L 4.4708 8.4024 124.8587 54.8894 42.5041 176.0358 70 T 5.0710 8.3957 115.3157 58.9459 72.3985 174.4131 71 E 2.8777 8.7584 121.9460 58.7867 29.5284 178.5291 72 E 3.9583 7.9976 117.5749 59.1424 29.7274 178.8211 73 L 3.8575 7.7091 120.8207 57.9481 42.0573 178.2405 74 M 3.7483 7.4648 116.9287 58.7970 32.1049 177.7816 75 E 4.1565 8.1418 117.6169 59.5156 29.6675 179.2529 76 S 4.2291 7.9615 114.2489 60.4533 63.0869 174.8162 77 A 4.6437 7.3216 122.7040 51.2176 19.0184 176.0451 78 D 4.9016 8.7501 117.2789 53.9291 43.1729 175.5211 79 L 4.8228 7.5203 118.9003 53.7757 46.1107 174.5253 80 V 4.6012 8.6453 124.0592 61.0272 35.1552 174.1660 81 L 5.0853 8.9673 128.8406 53.3146 44.1324 174.1723 82 A 5.2356 8.9130 128.0340 50.4854 20.6301 177.8233 83 M 4.3545 8.9259 121.4623 57.9618 32.8043 176.7389 84 T 4.7084 7.5970 107.0090 58.8631 72.3851 174.0484 85 H 4.1751 8.8716 121.3014 59.4459 29.7079 177.1219 86 Q 3.8970 8.0148 120.9234 59.4849 28.8598 177.8503 87 H 4.2255 8.3055 117.2339 58.6972 28.7286 177.4913 88 K 3.8406 8.1415 121.4067 59.9277 31.9502 178.8401 89 Q 3.9801 8.2061 118.0441 58.5765 28.4937 178.6858 90 I 3.6387 7.9076 121.1936 64.3863 37.2034 178.3359 91 I 3.2432 7.9357 120.6966 64.2780 36.8498 178.2965 92 A 4.0478 8.0644 121.4717 55.4318 17.9793 179.9418 93 S 4.0700 7.9076 112.6670 61.5042 62.8847 176.7136 94 Q 3.9738 7.8233 120.4550 58.1115 27.1081 177.1945 95 F 5.2236 7.7978 116.0720 56.8792 39.8987 175.4533 96 G 3.7208 8.2498 107.0298 47.6700 0.0000 174.1507 97 R 3.7197 8.2386 114.4312 57.5939 29.4078 175.2684 98 Y 4.6659 7.7158 113.3048 58.1909 38.9870 176.8267 99 R 3.9393 8.2466 121.5830 58.8573 30.2582 177.8420 100 D 4.2156 8.2683 116.3447 57.0354 41.3513 177.1110 101 K 4.0948 8.0513 118.7867 57.6988 32.4891 176.1232 102 V 4.6629 7.4134 118.6259 61.7197 32.9173 174.6548 103 F 4.9459 8.7634 123.7284 56.0365 43.6530 174.3799 104 T 4.7187 9.3365 118.2092 63.1037 69.5653 175.7191 105 L 3.9912 8.6423 126.5959 58.8542 42.1986 179.4676 106 K 4.1751 8.3072 117.8552 59.4941 32.0545 178.6905 107 E 4.2752 8.3435 120.4846 59.0100 29.2038 178.1529 108 Y 4.0915 8.2818 117.6169 59.4335 38.7710 176.7885 109 V 4.0972 7.4447 116.2417 64.8485 33.5782 176.3849 110 T 3.9689 8.3076 107.7671 62.6281 69.0321 175.7579 111 G 4.0261 9.1290 108.8925 44.9871 0.0000 173.1215 112 S 4.6994 8.0797 114.9828 56.3933 66.9503 173.0923 113 H 4.2290 9.0240 120.8403 55.8836 29.3451 175.0754 114 G 4.0838 7.9933 108.7636 46.7345 0.0000 170.0559 115 D 5.2622 8.1941 118.4101 52.4167 44.8645 174.7151 116 V 4.1081 8.2578 121.6009 61.2086 32.5577 175.1048 117 L 3.7266 8.5477 124.2761 55.6742 41.9221 176.0358 118 D 4.5855 8.5406 126.0305 52.5332 40.7827 173.8813 119 P 4.1436 0.0000 0.0000 62.4759 31.8722 175.1256 120 F 4.3269 8.0007 122.2829 60.8507 39.0309 175.2163 121 G 3.6096 8.6600 116.7960 45.0802 0.0000 172.9013 122 G 3.8850 8.0928 109.4992 44.3328 0.0000 173.4244 123 S 4.3899 8.2722 114.0140 57.2279 64.1026 174.8169 124 I 3.6007 7.9979 119.8124 64.5233 37.2070 176.9823 125 D 4.4218 8.0964 118.2099 57.3804 40.9901 178.2426 126 I 3.7410 7.8691 120.4324 64.5238 37.0405 178.0223 127 Y 3.9743 8.1410 117.1875 60.6533 37.6062 178.1653 128 K 4.0071 8.5974 121.3171 59.5936 32.2007 178.9570 129 Q 4.0161 8.4568 118.7159 59.1389 28.5873 178.8647 130 T 3.8432 8.0875 117.0688 66.7004 68.5821 177.0155 131 R 4.1503 8.4141 118.1099 58.8372 29.5738 178.4202 132 D 4.2721 7.8709 119.3872 57.3090 41.2459 177.7777 133 E 3.9439 7.9540 119.7044 59.2119 29.6125 178.4908 134 L 3.9545 8.3969 120.9009 58.0080 42.0528 178.5999 135 E 3.9273 8.3651 119.4082 59.2289 29.4900 178.4070 136 E 3.9222 8.0987 119.0187 59.0424 29.6045 178.4853 137 L 4.0017 8.1380 120.4659 58.3824 42.1897 179.0880 138 L 4.2778 8.1878 118.6286 57.4829 41.5301 179.7199 139 R 3.9750 8.3408 118.7507 59.3801 29.9346 179.0080 140 Q 4.0600 7.9940 118.0513 58.7390 28.5701 178.4798 141 L 4.0446 8.4599 121.7260 58.0635 42.0833 178.9231 142 A 4.3495 8.6619 121.0200 55.1036 18.1262 179.3937 143 K 3.8611 7.8880 117.0873 59.8143 32.0745 178.6585 144 Q 4.0495 8.4570 118.5663 58.9333 28.5310 178.8450 145 L 4.0670 8.2823 120.1670 57.7764 41.5634 179.5460 146 K 4.0274 8.0872 116.5661 58.1988 31.9601 178.6440 147 K 4.1332 7.3631 119.5903 59.1260 31.8918 178.1339 148 D 4.4881 8.7174 116.9781 54.0915 42.1197 174.9745 149 R 4.0255 8.5458 109.8593 56.0508 28.7683 175.9955 150 R 4.2413 7.5897 120.8744 57.1475 31.3518 174.7466 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 M 8.16 4.48 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.71 0.00 2 D 8.45 5.01 0.00 2.82 2.37 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 3 I 9.29 4.53 1.42 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.59 0.01 0.00 0.00 4 I 8.07 4.74 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.90 0.00 0.00 5 F 8.86 4.96 0.00 3.00 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 6 V 8.84 5.47 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 1.05 0.00 0.00 0.95 0.00 0.00 7 C 8.47 5.15 0.00 3.21 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 8 T 8.71 3.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 9 G 7.79 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 0.00 0.00 0.00 10 N 8.61 4.59 0.00 2.99 2.93 0.00 0.00 7.06 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.81 4.08 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 1.37 0.00 0.00 12 C 8.13 4.50 0.00 2.98 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 13 R 7.91 4.68 0.00 1.81 1.84 0.00 3.19 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 14 S 7.98 4.12 0.00 4.24 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 0.00 15 P 0.00 4.19 0.00 2.19 1.87 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 16 M 8.01 4.03 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.70 0.00 17 A 7.68 3.66 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 4.02 0.00 2.18 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 0.00 2.42 2.51 0.00 19 A 8.05 4.06 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 20 L 8.15 3.92 0.00 1.87 1.75 0.97 1.26 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 21 F 8.64 3.97 0.00 3.43 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 22 K 8.48 3.95 0.00 2.01 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.76 7.81 23 S 8.05 4.09 0.00 3.96 3.87 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 24 I 8.01 3.62 1.49 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 1.39 0.68 0.77 0.00 0.00 25 A 7.88 3.71 1.14 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 26 E 8.22 3.91 0.00 2.15 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 2.31 2.46 0.00 27 R 7.69 3.97 0.00 1.86 1.95 0.00 3.35 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 28 E 8.28 4.19 0.00 1.93 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 2.40 2.42 0.00 29 G 7.45 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 0.00 0.00 0.00 30 L 7.62 4.20 0.00 1.66 1.69 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.45 4.86 0.00 2.62 2.69 0.00 0.00 6.80 7.73 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 32 V 8.16 4.74 2.19 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 0.94 0.00 0.00 1.18 0.00 0.00 33 N 9.10 5.23 0.00 2.82 2.75 0.00 0.00 7.86 7.24 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 34 V 8.34 5.18 2.32 0.00 0.00 0.00 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 1.22 0.00 0.00 35 R 9.05 5.05 0.00 1.85 2.04 0.00 2.99 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 36 S 8.64 5.38 0.00 3.78 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 37 A 8.88 4.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.49 4.37 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 0.00 39 V 8.55 3.49 1.64 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 0.61 0.00 0.00 0.92 0.00 0.00 40 F 8.13 4.94 0.00 2.95 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 41 A 8.07 4.47 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 42 S 8.30 4.73 0.00 3.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.88 0.00 2.05 2.10 0.00 3.69 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 44 N 8.23 5.04 0.00 2.69 2.83 0.00 0.00 6.87 7.04 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 45 G 8.19 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 0.00 0.00 0.00 46 K 8.45 5.15 0.00 1.88 1.79 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.46 7.81 47 A 8.44 4.15 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 48 T 8.58 4.09 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 1.36 0.00 0.00 49 P 0.00 4.35 0.00 2.06 2.10 0.00 3.55 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 50 H 7.35 4.63 0.00 1.98 2.73 0.00 5.64 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 51 A 7.30 4.00 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 52 V 7.68 3.61 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 0.69 0.00 0.00 0.95 0.00 0.00 53 E 8.07 3.99 0.00 2.21 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 2.41 2.50 0.00 54 A 8.33 4.06 1.50 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 55 L 8.18 4.15 0.00 1.74 1.77 0.93 0.84 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 56 F 8.44 4.17 0.00 3.25 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 57 E 8.47 3.85 0.00 2.02 2.19 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 2.31 2.47 0.00 58 K 7.96 3.96 0.00 1.92 1.98 0.00 1.87 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.45 1.47 7.81 59 H 7.89 3.82 0.00 3.13 3.25 0.00 5.75 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 60 I 8.06 4.18 1.98 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 1.21 0.94 0.92 0.00 0.00 61 A 8.20 3.93 1.47 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 62 L 7.62 4.01 0.00 1.66 1.65 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.47 4.84 0.00 2.69 2.65 0.00 0.00 6.78 7.88 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 64 H 8.58 4.92 0.00 3.30 3.08 0.00 5.86 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 65 V 7.94 4.84 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 1.04 0.00 0.00 0.93 0.00 0.00 66 S 8.96 4.60 0.00 4.01 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 67 S 8.19 4.99 0.00 3.75 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 68 P 0.00 4.54 0.00 2.04 2.17 0.00 3.77 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 1.99 1.96 0.00 69 L 8.40 4.47 0.00 1.67 1.62 0.99 1.11 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 70 T 8.40 5.07 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 1.25 0.00 0.00 71 E 8.76 2.88 0.00 2.12 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 2.19 1.93 0.00 72 E 8.00 3.96 0.00 2.19 2.16 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 2.34 2.33 0.00 73 L 7.71 3.86 0.00 1.75 1.83 0.89 0.87 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 74 M 7.46 3.75 0.00 1.12 1.54 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 75 E 8.14 4.16 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 76 S 7.96 4.23 0.00 3.94 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 77 A 7.32 4.64 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 78 D 8.75 4.90 0.00 2.55 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 79 L 7.52 4.82 0.00 1.54 1.11 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.65 4.60 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 0.85 0.00 0.00 0.78 0.00 0.00 81 L 8.97 5.09 0.00 1.19 1.36 0.42 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.91 5.24 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 83 M 8.93 4.35 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.92 0.00 84 T 7.60 4.71 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 85 H 8.87 4.18 0.00 3.17 3.33 0.00 5.68 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 86 Q 8.01 3.90 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 87 H 8.31 4.23 0.00 3.36 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.14 3.84 0.00 1.84 1.97 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.46 7.81 89 Q 8.21 3.98 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 90 I 7.91 3.64 1.97 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 1.60 0.77 0.81 0.00 0.00 91 I 7.94 3.24 1.99 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 1.37 0.89 1.03 0.00 0.00 92 A 8.06 4.05 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 93 S 7.91 4.07 0.00 3.92 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 94 Q 7.82 3.97 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 7.07 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 95 F 7.80 5.22 0.00 3.23 3.02 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 96 G 8.25 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.24 3.72 0.00 1.89 1.94 0.00 3.27 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 98 Y 7.72 4.67 0.00 3.28 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.25 3.94 0.00 1.90 1.93 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 100 D 8.27 4.22 0.00 2.69 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 0.00 101 K 8.05 4.09 0.00 1.54 1.49 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.27 7.81 102 V 7.41 4.66 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 0.90 0.00 0.00 0.93 0.00 0.00 103 F 8.76 4.95 0.00 2.96 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 0.00 104 T 9.34 4.72 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 105 L 8.64 3.99 0.00 1.75 1.77 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.31 4.18 0.00 1.92 1.88 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.66 7.81 107 E 8.34 4.28 0.00 2.11 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 2.56 2.26 0.00 108 Y 8.28 4.09 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 0.00 109 V 7.44 4.10 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 1.10 0.00 0.00 1.09 0.00 0.00 110 T 8.31 3.97 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 G 9.13 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 0.00 0.00 0.00 0.00 112 S 8.08 4.70 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.02 4.23 0.00 3.01 3.27 0.00 6.02 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 0.00 114 G 7.99 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 0.00 0.00 0.00 115 D 8.19 5.26 0.00 2.73 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 0.00 116 V 8.26 4.11 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 0.95 0.00 0.00 0.96 0.00 0.00 117 L 8.55 3.73 0.00 1.78 1.56 0.89 1.27 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 0.00 118 D 8.54 4.59 0.00 2.66 2.59 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 0.00 119 P 0.00 4.14 0.00 0.49 1.84 0.00 3.77 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 1.59 1.54 0.00 120 F 8.00 4.33 0.00 3.09 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 0.00 121 G 8.66 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.09 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 0.00 123 S 8.27 4.39 0.00 3.99 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 0.00 124 I 8.00 3.60 1.72 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.86 0.00 0.00 125 D 8.10 4.42 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.74 1.89 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 1.59 0.67 0.80 0.00 0.00 127 Y 8.14 3.97 0.00 3.19 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 0.00 128 K 8.60 4.01 0.00 1.80 2.13 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.64 7.81 129 Q 8.46 4.02 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 130 T 8.09 3.84 4.38 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 1.21 0.00 0.00 131 R 8.41 4.15 0.00 2.01 2.39 0.00 2.99 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 132 D 7.87 4.27 0.00 2.77 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 0.00 133 E 7.95 3.94 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 2.32 2.33 0.00 134 L 8.40 3.95 0.00 1.90 1.79 0.88 0.77 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 0.00 135 E 8.37 3.93 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 136 E 8.10 3.92 0.00 2.13 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 2.32 2.33 0.00 137 L 8.14 4.00 0.00 1.84 1.87 0.97 0.66 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 0.00 138 L 8.19 4.28 0.00 1.91 2.02 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.34 3.97 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 140 Q 7.99 4.06 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 141 L 8.46 4.04 0.00 2.00 2.09 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.66 4.35 1.45 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 0.00 143 K 7.89 3.86 0.00 1.80 2.15 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 144 Q 8.46 4.05 0.00 2.16 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.32 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 145 L 8.28 4.07 0.00 1.99 1.82 0.99 1.54 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 0.00 146 K 8.09 4.03 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 147 K 7.36 4.13 0.00 1.75 1.95 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 148 D 8.72 4.49 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.55 4.03 0.00 2.08 2.05 0.00 3.09 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 150 R 7.59 4.24 0.00 1.81 1.82 0.00 3.43 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00