NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3728 8.3044 120.3210 55.8225 33.8405 174.9912 2 H 4.6931 8.4269 119.3421 54.6810 29.2902 172.7347 3 L 4.6901 8.0146 120.8299 53.6307 44.7570 177.4428 4 T 4.1396 8.2370 119.6539 62.4006 70.5281 174.1902 5 P 4.0267 0.0000 0.0000 66.2223 31.2284 178.8425 6 E 3.9860 8.0528 116.5422 59.4124 29.5760 179.1044 7 E 3.9584 7.9132 118.2195 59.0473 29.6201 179.2707 8 K 3.8772 8.8463 119.7951 59.5272 32.1341 179.5681 9 S 4.1436 8.1626 114.2230 61.2920 62.7064 176.4321 10 A 3.9817 7.7979 124.4948 54.8970 18.1484 179.5008 11 V 3.4146 7.5811 116.3522 66.4055 31.3168 178.0317 12 T 3.9470 7.9714 114.9847 67.0390 68.2269 176.4580 13 A 4.0744 8.0607 120.9188 54.7920 18.6548 179.1354 14 L 3.9503 7.9366 119.2982 57.8337 42.1852 178.6350 15 W 4.4008 8.6831 128.5892 60.6790 30.3594 177.9509 16 G 3.8675 7.8658 104.5021 47.5447 0.0000 174.7310 17 K 4.3629 7.8124 117.5546 55.6029 32.8368 176.8782 18 V 3.7877 7.2348 120.5643 61.9061 32.3182 175.8004 19 N 4.5553 8.1490 124.9299 52.1745 39.0398 175.5990 20 V 3.4840 8.0339 128.4908 65.6695 31.4348 177.3043 21 D 4.3187 8.0673 118.3623 57.4316 40.7760 178.4667 22 E 3.9476 8.4651 118.8500 59.4841 29.5833 179.6319 23 V 3.5913 7.9769 118.6288 65.6327 31.6242 178.3511 24 G 3.6687 8.3998 105.9988 47.7899 0.0000 176.0252 25 G 3.6015 7.7580 108.5498 47.2848 0.0000 175.4916 26 E 3.9049 8.2186 121.5894 58.7937 29.6908 178.7500 27 A 3.9224 8.0422 120.8200 55.1999 18.5214 179.4077 28 L 4.0017 7.8286 118.6027 58.0885 42.1402 179.4562 29 G 3.5197 8.0724 105.7455 47.9458 0.0000 175.9827 30 R 3.9291 8.2913 121.3038 58.5139 30.0209 178.8194 31 L 4.0467 7.9601 120.1894 58.4504 41.6371 179.2319 32 L 4.0205 7.9035 118.5551 57.2599 41.2012 179.5767 33 V 3.8168 7.2579 117.0933 65.2801 31.8575 178.0172 34 G 3.3263 8.1190 104.6559 46.3823 0.0000 173.6595 35 Y 3.7692 7.1429 119.0789 53.9252 37.8039 174.1540 36 P 4.3945 0.0000 0.0000 64.7194 31.9487 177.7680 37 W 4.4089 8.1178 114.7083 59.1726 27.7173 177.8470 38 T 4.2359 7.7325 110.6360 63.8500 68.2143 175.7967 39 Q 4.4462 8.1422 121.2376 57.6340 28.5690 177.8844 40 R 3.8249 7.5107 116.6615 58.5116 29.2959 177.7923 41 F 4.3721 7.0125 115.0268 57.0672 40.4514 175.5503 42 F 4.5980 7.4207 117.6308 56.5608 39.0263 176.7363 43 E 4.1662 7.9797 122.4184 59.2612 30.0287 179.5867 44 S 4.5521 8.0537 110.9422 59.7160 63.4844 175.0177 45 F 4.5159 7.9760 119.0079 59.2795 39.8377 175.1379 46 G 3.9901 7.0749 105.1173 44.4392 0.0000 174.5345 47 D 4.6820 8.7577 126.7376 53.5083 39.9107 175.9513 48 L 4.9177 8.2428 127.3122 54.6755 43.0051 178.9910 49 S 4.3900 8.2345 117.3003 61.0098 63.1876 175.1694 50 T 4.7290 7.3530 108.6514 58.1742 72.9093 172.6657 51 P 4.1925 0.0000 0.0000 66.2024 31.4060 178.3322 52 D 4.3558 8.1827 116.4342 57.6825 40.5875 178.9794 53 A 4.0648 8.1096 119.7355 54.5419 18.4325 179.6613 54 V 3.7615 7.8040 117.1363 66.4240 31.6272 178.1727 55 M 4.1592 8.6355 117.5707 58.1142 31.8036 178.4256 56 G 3.9400 7.9620 104.5656 45.1535 0.0000 173.4343 57 N 4.3338 7.5509 120.5626 53.0811 39.3097 173.6858 58 P 4.2836 0.0000 0.0000 65.8890 31.3315 178.6058 59 K 3.7142 8.2804 118.4539 58.9148 31.7390 179.5420 60 V 3.7327 7.8680 118.1659 66.0337 31.7452 178.1032 61 K 3.9330 7.9971 118.0261 59.4654 31.4703 179.2316 62 A 4.0646 8.0969 120.9919 55.0880 18.3296 179.2016 63 H 4.3824 8.2821 117.2919 59.1925 29.9699 177.6410 64 G 3.6379 8.2921 107.8307 47.7922 0.0000 175.6085 65 K 4.0542 8.0062 121.5407 58.8358 32.2733 178.9847 66 K 4.0112 7.7981 119.8024 59.2851 32.1537 179.1229 67 V 3.6247 7.8535 118.5051 66.1750 31.5044 178.1505 68 L 4.3702 8.2275 118.5307 57.2801 41.3596 179.6444 69 G 3.7559 8.1597 105.6802 47.8356 0.0000 175.4195 70 A 4.1330 7.8823 122.9940 54.5923 18.7087 179.2479 71 F 4.2827 8.5115 118.8982 61.6271 39.4427 176.9823 72 S 4.2689 9.1399 113.3284 62.0540 62.0396 176.1144 73 D 4.5060 8.5420 121.1790 56.9928 40.5361 178.8467 74 G 3.5001 8.0439 106.1574 46.9873 0.0000 175.0811 75 L 3.9929 7.2467 119.0993 55.7628 41.7363 177.7216 76 A 4.5436 7.4627 119.8161 52.0391 20.1815 176.3250 77 H 4.8245 8.0285 115.4334 54.8511 29.9375 175.0546 78 L 3.9248 8.1250 121.4775 57.2112 42.1710 176.5726 79 D 4.7620 7.5252 116.0022 54.2644 41.8798 176.2888 80 N 4.6794 7.7549 114.1507 52.1417 41.2454 175.0147 81 L 4.0514 7.5365 122.5063 57.2098 41.8631 178.7070 82 K 3.9749 8.1506 119.5621 59.8277 31.9093 178.9431 83 G 3.6559 8.0947 104.5656 47.9707 0.0000 175.4515 84 T 3.8113 7.4089 116.9016 65.5151 68.6203 175.9400 85 F 4.8114 8.0948 117.5141 57.0599 39.2462 177.2240 86 A 4.0529 7.5731 121.6004 56.1141 18.1370 180.6151 87 T 3.8668 7.8529 113.1224 66.6515 68.5869 176.6530 88 L 4.1162 7.9404 121.8880 57.9217 42.1618 178.8237 89 S 4.4582 8.4825 115.1316 60.9877 62.3489 176.0210 90 E 3.9048 8.2671 121.3572 59.1180 29.1114 178.9927 91 L 3.9102 7.9460 120.4189 58.6980 42.2071 178.9081 92 H 4.1819 8.3170 116.0205 59.1654 28.4934 176.8325 93 C 3.5778 7.6629 120.6082 62.0501 31.1231 175.2696 94 D 4.4369 8.5119 122.1280 56.0782 40.6290 177.3724 95 K 4.3321 7.8644 117.0408 57.7553 33.7592 177.5466 96 L 4.1406 7.7535 116.1388 55.2282 42.2769 176.2689 97 H 4.1819 7.2203 113.0170 56.6618 26.5471 175.0963 98 V 3.7990 7.8122 118.4563 61.1876 32.5347 174.7951 99 D 4.4159 8.6388 127.2899 53.4626 41.8124 175.0422 100 P 3.3537 0.0000 0.0000 64.4639 31.7800 177.9636 101 E 3.9000 8.2365 119.2478 59.1088 29.3692 178.2952 102 N 4.2733 7.8924 116.7256 56.2438 38.6027 177.2695 103 F 4.5054 7.4126 119.2089 60.5624 38.9908 177.9138 104 R 4.0360 7.8064 117.3575 58.8568 30.0649 178.6773 105 L 3.7124 7.7855 118.8671 57.6241 41.5273 179.2166 106 L 4.0243 8.0091 120.2270 58.1383 42.0419 178.9876 107 G 3.8323 7.9087 105.0939 48.2275 0.0000 175.3219 108 N 4.4358 8.1038 118.9550 55.8001 38.4628 177.7337 109 V 3.6121 7.8623 119.7069 65.8056 31.5574 177.5066 110 L 3.8440 8.6448 121.2658 58.4800 41.8664 179.1562 111 V 3.5281 7.8653 117.7503 66.3233 31.4049 177.8007 112 C 4.1700 7.9444 116.1214 62.5815 27.8887 176.2411 113 V 3.5750 8.0916 120.3022 65.9840 31.0775 178.0468 114 L 3.8334 7.9103 118.7141 57.6916 41.4447 179.4465 115 A 3.7224 7.4483 120.5912 55.0779 18.0607 178.9983 116 H 4.0941 7.9840 115.8778 59.9026 29.9927 176.9756 117 H 3.9644 8.1430 116.4106 58.3814 28.9591 177.0835 118 F 4.6576 8.5255 117.5198 55.3645 39.5990 178.3737 119 G 3.9067 8.7902 108.8326 45.6751 0.0000 175.1258 120 K 3.8883 9.3432 121.7143 59.7683 31.9268 177.1672 121 E 4.0379 8.1906 119.3151 58.4225 29.8260 177.2400 122 F 4.4795 8.1205 122.6055 57.0031 37.9669 175.4447 123 T 4.2256 7.3336 115.3611 59.9608 71.4529 173.5777 124 P 4.1368 0.0000 0.0000 65.7810 31.3864 177.2071 125 P 4.1973 0.0000 0.0000 65.3311 31.2883 178.9477 126 V 3.5706 7.3273 117.4909 65.7562 31.4399 177.8636 127 Q 3.6059 8.0852 119.4261 58.9047 28.7399 177.8675 128 A 3.9701 8.1154 121.7257 55.4689 18.5096 179.5667 129 A 3.9276 7.8377 118.5168 55.5015 18.3236 179.5183 130 Y 3.9306 8.0804 115.2466 61.1241 37.9783 178.4662 131 Q 4.1289 8.8784 119.6061 58.8906 28.7979 178.9153 132 K 4.0394 7.8660 119.5401 59.1910 31.9758 179.7111 133 V 3.5242 7.5713 118.1895 65.9996 31.4602 178.5200 134 V 3.7385 8.2769 112.3579 64.3449 31.3310 178.4196 135 A 4.0857 8.0981 120.5091 55.0708 18.2682 179.7024 136 G 3.6087 8.0772 104.2276 48.0436 0.0000 175.8336 137 V 3.3689 8.4180 121.2430 65.5694 31.6507 177.8643 138 A 3.8873 8.0837 120.4151 55.2604 18.0939 179.4072 139 N 4.2983 8.4105 114.8513 56.3012 38.3969 177.5262 140 A 4.0179 7.8302 121.0784 55.3109 18.6121 179.5294 141 L 3.8930 7.9777 117.2603 57.2568 41.6348 178.9507 142 A 4.2822 7.8242 119.2730 53.2275 18.7291 178.4935 143 H 4.0998 7.7307 116.9893 59.3515 29.8522 175.9778 144 K 4.3856 8.2442 115.3008 56.3874 32.0192 176.5755 145 Y 4.1215 7.9843 117.7503 58.4264 38.3841 175.7792 146 H 4.4567 8.3212 117.8747 56.1497 28.3011 173.2554 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 8.30 4.37 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 2 H 8.43 4.69 0.00 3.14 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.01 4.69 0.00 1.58 1.48 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.24 4.14 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 1.28 0.00 0.00 5 P 0.00 4.03 0.00 2.12 2.10 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 6 E 8.05 3.99 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 7 E 7.91 3.96 0.00 2.16 1.91 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 2.35 2.34 0.00 8 K 8.85 3.88 0.00 1.87 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.58 7.81 9 S 8.16 4.14 0.00 4.05 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 0.00 10 A 7.80 3.98 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 11 V 7.58 3.41 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.58 0.00 0.00 12 T 7.97 3.95 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 13 A 8.06 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.94 3.95 0.00 1.86 2.07 0.38 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.68 4.40 0.00 3.80 3.38 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 16 G 7.87 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 0.00 0.00 0.00 17 K 7.81 4.36 0.00 2.09 2.16 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.63 7.81 18 V 7.23 3.79 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 -0.09 0.00 0.00 0.73 0.00 0.00 19 N 8.15 4.56 0.00 2.70 2.60 0.00 0.00 6.82 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 20 V 8.03 3.48 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 1.19 0.00 0.00 0.90 0.00 0.00 21 D 8.07 4.32 0.00 3.01 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 22 E 8.47 3.95 0.00 1.96 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 2.29 2.43 0.00 23 V 7.98 3.59 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 0.89 0.00 0.00 0.65 0.00 0.00 24 G 8.40 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.76 3.60 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 0.00 0.00 0.00 26 E 8.22 3.90 0.00 2.28 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 0.00 2.29 2.32 0.00 27 A 8.04 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.83 4.00 0.00 1.77 1.63 0.88 0.80 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 29 G 8.07 3.52 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 0.00 0.00 0.00 30 R 8.29 3.93 0.00 1.89 1.97 0.00 3.11 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 31 L 7.96 4.05 0.00 1.91 1.91 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.90 4.02 0.00 1.89 1.70 0.82 0.98 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 33 V 7.26 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 0.75 0.00 0.00 0.91 0.00 0.00 34 G 8.12 3.33 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 35 Y 7.14 3.77 0.00 2.56 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 36 P 0.00 4.39 0.00 2.20 2.17 0.00 4.01 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 2.28 1.94 0.00 37 W 8.12 4.41 0.00 3.55 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 38 T 7.73 4.24 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 1.04 0.00 0.00 39 Q 8.14 4.45 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 40 R 7.51 3.82 0.00 1.60 1.82 0.00 2.94 0.00 0.00 2.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.01 4.37 0.00 1.59 2.42 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 42 F 7.42 4.60 0.00 2.85 1.78 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 43 E 7.98 4.17 0.00 2.01 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 2.34 2.21 0.00 44 S 8.05 4.55 0.00 4.11 4.10 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 45 F 7.98 4.52 0.00 3.20 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 46 G 7.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.76 4.68 0.00 2.67 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 48 L 8.24 4.92 0.00 1.73 1.61 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.23 4.39 0.00 3.96 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 50 T 7.35 4.73 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 51 P 0.00 4.19 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 52 D 8.18 4.36 0.00 2.67 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 53 A 8.11 4.06 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 54 V 7.80 3.76 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 1.07 0.00 0.00 0.96 0.00 0.00 55 M 8.64 4.16 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 56 G 7.96 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 57 N 7.55 4.33 0.00 2.93 2.93 0.00 0.00 6.80 8.83 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 58 P 0.00 4.28 0.00 2.25 2.26 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.28 3.71 0.00 1.75 0.74 0.00 1.35 0.00 0.00 1.12 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.01 1.21 7.81 60 V 7.87 3.73 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 1.06 0.00 0.00 1.12 0.00 0.00 61 K 8.00 3.93 0.00 2.01 1.82 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.48 7.81 62 A 8.10 4.06 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 63 H 8.28 4.38 0.00 3.56 3.45 0.00 5.79 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 64 G 8.29 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.01 4.05 0.00 2.01 1.83 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.45 7.81 66 K 7.80 4.01 0.00 2.06 1.97 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 67 V 7.85 3.62 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 1.00 0.00 0.00 0.89 0.00 0.00 68 L 8.23 4.37 0.00 1.96 1.87 1.17 0.64 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 69 G 8.16 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 70 A 7.88 4.13 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 71 F 8.51 4.28 0.00 3.29 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 72 S 9.14 4.27 0.00 4.61 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 0.00 73 D 8.54 4.51 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.04 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.25 3.99 0.00 1.50 1.44 -0.32 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.46 4.54 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 77 H 8.03 4.82 0.00 3.03 3.14 0.00 5.82 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 3.92 0.00 1.47 1.60 0.72 1.13 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 79 D 7.53 4.76 0.00 2.64 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 80 N 7.75 4.68 0.00 2.69 2.60 0.00 0.00 7.21 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 81 L 7.54 4.05 0.00 1.78 1.90 0.88 1.10 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 82 K 8.15 3.97 0.00 1.82 1.76 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.36 7.81 83 G 8.09 3.66 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 0.00 0.00 0.00 84 T 7.41 3.81 3.56 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 0.00 0.00 0.45 0.00 0.00 85 F 8.09 4.81 0.00 3.17 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 86 A 7.57 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 3.87 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 88 L 7.94 4.12 0.00 1.89 1.99 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.48 4.46 0.00 4.19 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 90 E 8.27 3.90 0.00 2.06 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 2.54 0.00 91 L 7.95 3.91 0.00 1.86 1.89 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.32 4.18 0.00 3.62 3.81 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.66 3.58 0.00 1.65 2.54 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 94 D 8.51 4.44 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 95 K 7.86 4.33 0.00 1.83 1.78 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.39 7.81 96 L 7.75 4.14 0.00 1.72 1.64 0.72 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.22 4.18 0.00 3.48 3.44 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.81 3.80 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 0.13 0.00 0.00 0.56 0.00 0.00 99 D 8.64 4.42 0.00 2.80 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 0.00 100 P 0.00 3.35 0.00 1.93 1.83 0.00 3.37 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 101 E 8.24 3.90 0.00 2.03 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 2.32 2.40 0.00 102 N 7.89 4.27 0.00 2.48 2.67 0.00 0.00 6.91 8.00 0.00 0.00 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 F 7.41 4.51 0.00 3.10 2.90 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 0.00 104 R 7.81 4.04 0.00 2.01 1.96 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 105 L 7.79 3.71 0.00 1.67 1.23 0.68 0.07 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 0.00 106 L 8.01 4.02 0.00 1.79 1.85 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.91 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 0.00 0.00 0.00 108 N 8.10 4.44 0.00 2.93 2.93 0.00 0.00 6.71 7.61 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 0.00 109 V 7.86 3.61 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 1.15 0.00 0.00 1.14 0.00 0.00 110 L 8.64 3.84 0.00 1.73 1.85 0.85 0.17 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 0.00 111 V 7.87 3.53 2.30 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 1.28 0.00 0.00 1.16 0.00 0.00 112 C 7.94 4.17 0.00 3.21 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 0.00 113 V 8.09 3.58 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 1.06 0.00 0.00 0.98 0.00 0.00 114 L 7.91 3.83 0.00 1.02 0.94 0.68 1.07 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 0.00 115 A 7.45 3.72 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.98 4.09 0.00 3.22 3.59 0.00 5.95 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 0.00 117 H 8.14 3.96 0.00 2.86 2.65 0.00 5.69 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 0.00 118 F 8.53 4.66 0.00 3.29 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 0.00 119 G 8.79 3.91 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 0.00 0.00 0.00 120 K 9.34 3.89 0.00 1.92 2.05 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.48 7.81 121 E 8.19 4.04 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 122 F 8.12 4.48 0.00 3.10 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 0.00 123 T 7.33 4.23 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 1.31 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.15 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.53 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 2.08 2.11 0.00 126 V 7.33 3.57 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 0.94 0.00 0.00 0.88 0.00 0.00 127 Q 8.09 3.61 0.00 1.63 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 128 A 8.12 3.97 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 0.00 129 A 7.84 3.93 1.25 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 0.00 130 Y 8.08 3.93 0.00 3.46 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.88 4.13 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 132 K 7.87 4.04 0.00 1.92 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.57 3.52 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 0.82 0.00 0.00 0.77 0.00 0.00 134 V 8.28 3.74 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 0.99 0.00 0.00 1.10 0.00 0.00 135 A 8.10 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 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 0.00 137 V 8.42 3.37 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 0.67 0.00 0.00 0.70 0.00 0.00 138 A 8.08 3.89 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 0.00 139 N 8.41 4.30 0.00 2.96 2.88 0.00 0.00 6.90 7.35 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 0.00 140 A 7.83 4.02 1.46 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 0.00 0.00 141 L 7.98 3.89 0.00 1.22 0.69 -0.13 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.82 4.28 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 0.00 143 H 7.73 4.10 0.00 3.27 3.68 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.24 4.39 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.79 7.81 145 Y 7.98 4.12 0.00 3.16 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 0.00 146 H 8.32 4.46 0.00 3.22 3.23 0.00 5.75 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