NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4356 8.3349 115.4117 57.5041 64.2927 173.2733 9 P 4.2306 0.0000 0.0000 60.7874 32.1384 170.6500 10 V 3.8745 8.8347 123.3362 62.1257 32.7721 175.3790 11 R 4.4600 8.2253 126.5833 55.9558 31.0430 175.8337 12 F 5.5322 8.5127 117.5753 55.1049 41.6034 173.9587 13 V 4.3694 8.9960 120.1992 61.0495 34.4871 174.4225 14 K 4.7846 8.6254 127.1767 55.9513 32.1355 176.7696 15 E 4.3388 9.3771 126.7120 58.7637 30.2142 177.1203 16 T 4.7573 7.7429 107.6949 59.3669 72.0417 173.8157 17 N 4.6848 8.6156 117.2864 54.0277 37.4438 176.1091 18 R 3.9954 7.5762 117.9167 57.9042 30.5827 176.9587 19 A 4.2523 7.5151 120.6710 51.7412 18.9880 176.8077 20 K 4.6589 8.2272 119.6078 54.0850 35.0506 176.6927 21 S 4.2225 8.6645 118.9404 58.2177 63.3063 172.4192 22 P 5.1848 0.0000 0.0000 62.3071 31.7837 175.8374 23 T 4.8925 8.5718 113.3206 59.9685 72.7603 172.7136 24 R 4.5790 8.2420 121.5491 55.2508 30.7026 177.1559 25 Q 4.1130 8.7242 122.6150 58.4456 29.4768 176.0745 26 S 4.6509 7.4424 110.7242 55.9215 65.8494 172.9603 27 P 4.3409 0.0000 0.0000 64.6707 31.0716 177.1846 28 G 3.9550 7.8547 106.2846 45.0237 0.0000 173.1079 29 A 4.1342 7.4972 122.6710 51.4465 19.0303 178.5236 30 A 4.1586 8.6423 125.1326 53.9904 18.9719 177.9571 31 G 4.4768 7.5920 100.5747 43.7072 0.0000 172.3441 32 Y 4.6884 9.1098 120.0219 56.2737 39.7529 175.1522 33 D 4.6816 9.2463 125.5394 54.4510 42.2283 175.4460 34 L 4.8541 8.5910 122.6038 53.1022 44.8633 175.0990 35 Y 5.3071 8.2185 118.4976 55.9622 42.2577 174.7477 36 S 4.5949 9.1460 118.0645 58.6406 63.3357 174.2236 37 A 4.4336 9.0387 128.0657 52.6307 19.1841 175.8149 38 Y 4.8676 7.6940 111.8805 55.2720 42.7811 174.3945 39 D 4.9152 8.5192 120.3881 54.4567 41.8604 175.9190 40 Y 4.9590 9.3819 119.7580 56.6843 43.0326 174.4751 41 T 5.0100 8.6315 116.9785 62.1381 72.1696 173.3666 42 I 4.5201 9.0070 128.3907 58.8217 39.2265 174.0658 43 P 4.7960 0.0000 0.0000 61.3794 32.8119 174.4449 44 P 4.2288 0.0000 0.0000 64.0636 31.7090 176.8858 45 G 3.8972 9.2115 110.4414 46.1501 0.0000 172.5454 46 E 4.9995 7.8470 118.1520 54.0888 33.9888 174.6347 47 R 5.2026 8.3652 116.0120 54.9310 33.3553 174.5328 48 Q 4.4995 8.6336 120.1663 54.6014 32.8767 173.1600 49 L 4.5365 8.6433 129.2403 55.1125 43.1093 175.6341 50 I 3.9243 8.9756 128.2823 59.2150 39.7003 175.0025 51 K 4.7508 9.1806 127.5417 56.5150 32.7196 177.8778 52 T 4.4642 8.6094 114.2468 60.1605 70.3633 174.7364 53 D 4.6440 8.5866 121.4116 55.5452 39.1184 172.7062 54 I 5.3253 7.7168 119.1555 59.5465 40.6780 175.1126 55 S 5.2676 9.0516 120.8149 56.8773 66.2346 172.9263 56 M 5.4328 8.4662 120.1080 53.7642 36.0150 175.7708 57 S 4.5128 8.9356 118.1610 57.2860 62.7278 173.9624 58 M 4.3081 8.5429 126.1361 54.9475 32.4930 174.9707 59 P 4.5671 0.0000 0.0000 61.9765 32.5362 176.1957 60 K 4.1753 8.3531 118.6372 57.4764 32.7568 177.0594 61 F 3.6236 8.5999 119.6912 58.2836 36.8168 174.5497 62 C 5.4919 7.9088 114.8412 58.7304 32.4882 173.7137 63 Y 5.0367 8.8457 118.8726 55.2578 41.8046 174.2870 64 G 3.7872 8.8270 108.5455 45.1885 0.0000 172.5774 65 R 4.8485 8.3450 127.4770 55.0134 31.6362 175.3622 66 I 4.2840 8.7880 128.4673 61.4723 37.4272 175.3094 67 A 4.9429 8.8576 129.8729 48.9780 22.1734 173.6776 68 P 4.6758 0.0000 0.0000 62.5483 32.6320 176.5028 69 R 4.1375 8.4025 120.9621 55.9447 31.2477 177.7470 70 S 4.1387 8.8121 116.6633 61.4484 62.0384 176.7529 71 G 3.6084 8.0079 107.9610 47.8727 0.0000 175.4815 72 L 3.9985 7.8492 121.0188 57.5910 41.6843 179.6349 73 S 4.5413 7.9395 116.4761 61.0845 62.5092 176.7090 74 L 4.0410 7.7003 120.8310 57.4178 41.4306 178.8696 75 K 4.2955 7.4099 115.2955 56.6247 32.3598 177.6421 76 G 3.7761 8.0805 108.4327 45.3708 0.0000 172.4874 77 I 4.4753 7.7417 121.3067 59.8448 38.5210 174.9648 78 D 5.2525 9.0260 126.8542 52.5062 44.7491 174.8931 79 I 4.7474 8.2229 120.3200 59.8331 38.8618 176.0387 80 G 3.9552 9.0798 114.6874 43.5503 0.0000 177.1314 81 G 3.7190 9.9598 110.2320 46.6404 0.0000 174.6483 82 G 3.8826 9.0555 113.5957 44.6219 0.0000 171.9795 83 V 4.5069 7.4834 119.6218 61.6977 32.3225 175.7023 84 I 4.2539 8.7710 131.2108 59.6417 38.2426 175.5674 85 D 4.8540 8.5632 127.3364 54.0186 41.5769 177.5437 86 E 4.0279 9.1660 121.9810 59.1029 29.7859 177.3272 87 D 4.7974 7.9790 115.6799 53.0386 39.7374 175.0316 88 Y 4.4363 7.8099 121.6499 57.9661 38.9645 175.2643 89 R 4.3119 8.1541 124.4604 55.7405 31.1997 175.8073 90 G 3.5949 5.3800 107.8222 43.4623 0.0000 172.6906 91 N 4.5665 8.5404 118.0423 54.0503 39.6839 174.7366 92 I 4.2739 9.0179 128.0196 61.0554 38.3444 174.9687 93 G 4.4105 8.7774 114.6450 44.3729 0.0000 172.3151 94 V 4.2976 8.8562 125.0115 61.2919 33.7323 174.7834 95 I 4.4278 8.2512 129.0868 60.1121 38.0929 174.2535 96 L 4.6956 8.5504 128.5003 53.9302 43.1684 176.0778 97 I 4.5719 8.7964 125.7568 59.8154 39.2613 174.7810 98 N 4.5439 9.2462 128.0742 52.4090 38.4520 174.0940 99 N 4.9576 8.7993 123.3869 52.9502 39.6134 175.5991 100 G 3.9655 8.1327 109.6803 44.6597 0.0000 174.0630 101 K 4.3839 8.4658 116.6204 56.3496 33.1992 176.0216 102 C 5.0424 7.6443 112.3178 55.8454 32.7054 173.9256 103 T 4.1790 8.5989 116.0327 64.3249 69.0340 173.3269 104 F 4.9373 9.6319 127.9815 56.6210 41.6164 173.7823 105 N 5.0492 8.2118 123.7401 52.0346 40.1784 174.5923 106 V 4.2298 8.7613 123.4823 61.2125 34.1288 173.9870 107 N 5.3448 9.0303 125.3850 51.5234 40.7976 174.9013 108 T 4.0042 8.8477 119.2591 65.9717 68.8469 175.2991 109 G 4.0345 9.4117 116.1182 44.8726 0.0000 173.3411 110 D 4.6296 8.3047 120.8816 54.2449 42.1049 175.6286 111 R 4.5778 8.7758 123.8228 56.3026 30.1399 175.7579 112 I 4.6795 8.2063 118.3114 60.8375 39.8194 174.4855 113 A 4.5388 7.3106 122.9590 51.4233 22.6040 174.5013 114 Q 4.8505 8.6837 115.7772 54.5006 32.5168 174.1742 115 L 4.6944 9.1184 124.0155 53.6218 44.1575 174.8515 116 I 4.6568 8.0975 127.4209 59.7313 39.6822 174.7095 117 Y 4.5615 8.7764 125.4420 57.4595 37.9681 174.3588 118 Q 4.4963 8.5404 124.6308 54.0818 30.7146 175.6095 119 R 4.7465 8.6675 124.2219 56.1562 30.7518 175.9123 120 I 4.8423 8.7610 116.8680 59.3782 41.1971 173.8301 121 Y 4.5848 8.5925 122.8134 56.1706 40.9299 175.2703 122 Y 5.0888 8.0039 122.9306 55.8313 37.9357 173.5085 123 P 4.7290 0.0000 0.0000 61.6037 33.2167 177.0146 124 E 4.2765 8.5233 118.5703 56.2618 30.1183 176.3862 125 L 4.8239 8.3181 120.6855 52.8046 44.3141 176.0781 126 E 4.6130 8.5284 120.3723 54.1151 32.0553 174.8903 127 E 4.1012 8.8247 124.8037 55.9173 30.3258 175.7475 128 V 4.6091 7.9537 117.7447 59.5103 35.6598 175.5045 129 Q 4.2112 8.5734 119.1336 58.4152 28.9847 176.9790 130 S 4.5929 7.5123 110.0709 56.7418 65.4876 173.5237 131 L 4.2061 8.4895 125.7426 55.1432 41.4670 176.7751 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 8 S 8.33 4.44 0.00 3.99 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 9 P 0.00 4.23 0.00 2.15 2.01 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 10 V 8.83 3.87 1.93 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 0.90 0.00 0.00 0.57 0.00 0.00 11 R 8.23 4.46 0.00 1.90 1.83 0.00 3.10 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 12 F 8.51 5.53 0.00 3.16 2.97 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 13 V 9.00 4.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.90 0.00 0.00 14 K 8.63 4.78 0.00 1.71 2.02 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.61 7.81 15 E 9.38 4.34 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 16 T 7.74 4.76 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 17 N 8.62 4.68 0.00 2.84 2.97 0.00 0.00 6.06 7.66 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 18 R 7.58 4.00 0.00 1.53 1.86 0.00 3.14 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 19 A 7.52 4.25 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 20 K 8.23 4.66 0.00 1.58 1.37 0.00 1.52 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.11 1.28 7.81 21 S 8.66 4.22 0.00 3.98 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 22 P 0.00 5.18 0.00 1.88 2.07 0.00 2.75 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 23 T 8.57 4.89 4.29 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 1.30 0.00 0.00 24 R 8.24 4.58 0.00 1.44 1.80 0.00 3.07 0.00 0.00 2.62 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 25 Q 8.72 4.11 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 26 S 7.44 4.65 0.00 3.92 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 27 P 0.00 4.34 0.00 2.18 2.21 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 28 G 7.85 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 29 A 7.50 4.13 1.23 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 0.00 0.00 30 A 8.64 4.16 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 31 G 7.59 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 0.00 0.00 0.00 0.00 32 Y 9.11 4.69 0.00 2.88 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 33 D 9.25 4.68 0.00 2.36 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 0.00 0.00 0.00 34 L 8.59 4.85 0.00 1.42 1.47 0.86 0.59 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 35 Y 8.22 5.31 0.00 2.85 2.79 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 36 S 9.15 4.59 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 37 A 9.04 4.43 1.08 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 38 Y 7.69 4.87 0.00 2.51 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 39 D 8.52 4.92 0.00 2.49 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 40 Y 9.38 4.96 0.00 2.87 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 41 T 8.63 5.01 4.29 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 1.24 0.00 0.00 42 I 9.01 4.52 2.06 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 1.33 1.02 1.00 0.00 0.00 43 P 0.00 4.80 0.00 2.10 1.99 0.00 3.65 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 44 P 0.00 4.23 0.00 2.05 2.18 0.00 3.79 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 2.05 2.20 0.00 45 G 9.21 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 46 E 7.85 5.00 0.00 2.01 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 2.34 2.38 0.00 47 R 8.37 5.20 0.00 1.73 1.84 0.00 3.02 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 48 Q 8.63 4.50 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 49 L 8.64 4.54 0.00 1.66 1.56 0.90 1.05 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 50 I 8.98 3.92 1.79 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 1.26 0.55 0.78 0.00 0.00 51 K 9.18 4.75 0.00 2.15 2.03 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.58 1.53 7.81 52 T 8.61 4.46 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 1.31 0.00 0.00 53 D 8.59 4.64 0.00 3.05 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 54 I 7.72 5.33 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.07 0.95 0.00 0.00 55 S 9.05 5.27 0.00 3.96 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 56 M 8.47 5.43 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 57 S 8.94 4.51 0.00 3.88 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 58 M 8.54 4.31 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.60 0.00 59 P 0.00 4.57 0.00 2.18 1.96 0.00 3.97 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.73 0.00 60 K 8.35 4.18 0.00 1.84 1.77 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.40 7.81 61 F 8.60 3.62 0.00 3.25 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 62 C 7.91 5.49 0.00 3.11 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 63 Y 8.85 5.04 0.00 3.24 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 64 G 8.83 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 65 R 8.35 4.85 0.00 1.47 1.67 0.00 3.26 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 66 I 8.79 4.28 1.84 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 1.31 0.88 0.86 0.00 0.00 67 A 8.86 4.94 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 68 P 0.00 4.68 0.00 2.04 2.01 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 69 R 8.40 4.14 0.00 1.87 1.86 0.00 3.09 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 70 S 8.81 4.14 0.00 3.86 3.83 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 71 G 8.01 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 72 L 7.85 4.00 0.00 1.81 1.60 0.99 1.06 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 73 S 7.94 4.54 0.00 4.02 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 74 L 7.70 4.04 0.00 1.81 1.72 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.41 4.30 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.54 7.81 76 G 8.08 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 0.00 0.00 0.00 77 I 7.74 4.48 1.66 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.03 0.59 0.00 0.00 78 D 9.03 5.25 0.00 2.48 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 79 I 8.22 4.75 1.84 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 1.23 0.76 0.92 0.00 0.00 80 G 9.08 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 81 G 9.96 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 82 G 9.06 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 83 V 7.48 4.51 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 0.56 0.00 0.00 0.84 0.00 0.00 84 I 8.77 4.25 1.97 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 1.41 1.04 1.07 0.00 0.00 85 D 8.56 4.85 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 9.17 4.03 0.00 2.30 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 0.00 2.32 2.55 0.00 87 D 7.98 4.80 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.81 4.44 0.00 2.95 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 8.15 4.31 0.00 1.65 1.77 0.00 3.36 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 90 G 5.38 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 91 N 8.54 4.57 0.00 2.83 2.88 0.00 0.00 6.92 7.94 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 92 I 9.02 4.27 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.94 0.00 0.00 93 G 8.78 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.86 4.30 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 0.91 0.00 0.00 0.90 0.00 0.00 95 I 8.25 4.43 1.92 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 1.31 0.51 0.88 0.00 0.00 96 L 8.55 4.70 0.00 1.61 1.57 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.80 4.57 1.82 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 1.08 0.71 0.98 0.00 0.00 98 N 9.25 4.54 0.00 2.85 2.99 0.00 0.00 6.70 6.26 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 99 N 8.80 4.96 0.00 2.82 2.77 0.00 0.00 6.86 7.18 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 0.00 100 G 8.13 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.47 4.38 0.00 1.73 1.87 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.46 7.81 102 C 7.64 5.04 0.00 2.97 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 0.00 103 T 8.60 4.18 4.28 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 1.31 0.00 0.00 104 F 9.63 4.94 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.21 5.05 0.00 2.44 2.60 0.00 0.00 6.89 7.68 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 0.00 106 V 8.76 4.23 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 1.12 0.00 0.00 0.96 0.00 0.00 107 N 9.03 5.34 0.00 3.10 2.69 0.00 0.00 6.55 6.33 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 0.00 108 T 8.85 4.00 4.21 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 1.11 0.00 0.00 109 G 9.41 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 0.00 110 D 8.30 4.63 0.00 2.87 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 0.00 111 R 8.78 4.58 0.00 1.98 1.89 0.00 3.30 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.00 112 I 8.21 4.68 1.91 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 1.28 0.82 1.07 0.00 0.00 113 A 7.31 4.54 1.16 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 0.00 0.00 114 Q 8.68 4.85 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 115 L 9.12 4.69 0.00 1.61 1.53 0.69 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.10 4.66 1.74 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 1.26 0.55 0.88 0.00 0.00 117 Y 8.78 4.56 0.00 2.86 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 0.00 118 Q 8.54 4.50 0.00 1.43 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.01 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 119 R 8.67 4.75 0.00 1.74 1.92 0.00 3.18 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 120 I 8.76 4.84 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.19 1.23 0.00 0.00 121 Y 8.59 4.58 0.00 2.82 2.89 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 0.00 122 Y 8.00 5.09 0.00 3.10 2.79 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 0.00 123 P 0.00 4.73 0.00 2.31 2.32 0.00 3.96 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 124 E 8.52 4.28 0.00 2.02 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 2.35 2.37 0.00 125 L 8.32 4.82 0.00 1.61 1.56 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.53 4.61 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 127 E 8.82 4.10 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 128 V 7.95 4.61 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 0.81 0.00 0.00 0.97 0.00 0.00 129 Q 8.57 4.21 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 130 S 7.51 4.59 0.00 3.77 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 0.00 131 L 8.49 4.21 0.00 1.68 1.56 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00