NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4794 8.3049 120.3308 55.5128 33.0895 174.4354 2 M 4.4524 8.5622 123.6957 53.0387 34.3449 170.3105 3 V 4.3558 8.2919 121.9449 60.7418 34.2228 174.1756 4 W 4.5836 8.9873 135.0000 57.6403 31.1158 175.3092 5 T 4.1672 8.2710 124.1885 61.4519 66.9480 172.7366 6 P 4.4509 0.0000 0.0000 63.7631 32.1671 175.9520 7 V 3.9318 7.4675 119.9678 62.9711 32.7172 175.6638 8 N 4.2585 8.5691 125.2177 54.9042 35.8345 173.7154 9 N 4.8330 7.4417 108.9854 52.8878 40.3553 174.2666 10 K 4.0490 8.2462 115.6751 56.4473 32.7500 176.4977 11 M 4.7859 7.7665 120.1609 53.7609 35.7189 175.1577 12 F 4.8315 8.4570 117.1532 57.1321 40.9245 176.1734 13 E 3.5698 8.2260 121.5013 56.7810 27.7518 174.6768 14 T 3.7726 8.3666 120.0366 66.7292 68.8721 174.1750 15 F 4.5356 9.0372 124.4627 57.5488 36.7608 176.2258 16 S 4.4870 8.1354 114.3677 60.0445 62.9340 174.3554 17 Y 4.3474 8.2620 117.7731 58.2036 38.1198 175.0246 18 L 4.6922 7.6053 120.4471 52.1055 43.7105 174.4715 19 P 4.4437 0.0000 0.0000 61.8981 31.7714 174.9944 20 P 4.3155 0.0000 0.0000 62.8178 31.7676 176.4503 21 L 4.0387 8.3329 122.7029 54.6087 42.2011 177.9538 22 T 4.2082 8.2158 114.0965 61.1398 70.9864 175.1944 23 D 4.3537 8.5835 121.1078 57.6738 40.7677 178.7855 24 E 3.9110 8.1295 119.0790 59.4314 29.6659 178.7775 25 Q 3.8979 7.9463 118.0218 58.8964 28.7592 178.7419 26 I 3.7360 8.0801 120.9216 64.3911 37.1549 178.2745 27 A 4.0616 8.3536 121.6094 55.1846 18.1511 179.5670 28 A 3.9722 8.2543 119.3267 55.3885 18.4236 179.8680 29 Q 4.1154 8.1555 116.6803 59.1340 28.8037 179.2430 30 V 3.7415 8.1133 119.3092 66.1273 31.5672 177.6562 31 D 4.4289 8.3866 118.7655 57.6435 40.5305 178.2579 32 Y 4.1878 8.1104 119.8494 60.7238 38.9308 178.0351 33 I 3.8143 7.9579 120.7142 64.5652 37.3257 178.5180 34 V 3.5108 7.8433 118.4684 66.0642 31.1908 177.8613 35 A 3.9334 8.0874 119.4369 54.6191 18.2301 178.3248 36 N 4.1250 7.0652 112.2862 52.1145 38.7177 175.8124 37 G 3.7733 7.2272 108.2635 45.9439 0.0000 174.0291 38 W 4.9390 7.3663 118.5193 55.9931 30.6656 176.2622 39 I 4.3302 8.9016 123.3669 59.7546 37.7217 174.0757 40 P 4.8845 0.0000 0.0000 62.8907 32.7895 175.1553 41 C 4.9930 8.9409 121.7256 58.3626 35.6527 172.4309 42 L 5.3606 8.7446 124.0722 53.2385 44.3434 175.1953 43 E 5.6038 9.1658 121.1480 54.9476 34.1864 174.5342 44 F 5.5801 9.0671 116.1831 56.0561 42.1177 172.8694 45 A 4.2370 8.1704 118.6441 50.9840 22.0811 177.6551 46 E 3.8007 8.8124 120.4737 59.0561 29.8180 177.3871 47 H 5.1478 7.6106 112.5124 53.8172 32.5140 172.8561 48 S 4.6170 8.4672 115.4835 56.6477 63.8659 172.9424 49 N 5.0948 8.5184 125.2659 50.3723 41.2851 173.9978 50 P 4.1273 0.0000 0.0000 65.9008 31.2785 177.4964 51 E 3.7308 7.9604 116.6343 57.8634 29.6431 176.3112 52 E 4.3968 7.6787 118.8394 54.7952 29.4774 176.2201 53 F 4.0331 8.8754 123.4269 60.2690 39.2426 175.6659 54 Y 4.7499 7.8688 116.4497 56.5521 39.1144 175.0882 55 W 5.0536 8.6098 123.5104 55.4891 32.4714 174.7950 56 T 4.2927 8.1486 117.2527 62.7802 69.3378 174.6333 57 M 4.5250 8.5413 126.6394 55.2378 33.2029 175.2494 58 W 4.8356 9.6177 135.0000 56.2786 31.2797 176.8601 59 K 3.5040 8.6395 129.0926 57.5605 30.4272 178.4136 60 L 4.9463 8.3110 124.9540 52.6602 45.1710 173.9981 61 P 4.2478 0.0000 0.0000 63.4400 32.2596 177.5939 62 M 4.3154 8.5848 123.4575 53.7201 30.4371 175.7434 63 F 4.4724 7.3773 118.4688 58.8505 40.0176 176.5348 64 G 3.9661 9.1183 112.4832 45.6705 0.0000 172.8656 65 C 4.3245 7.9668 120.8380 59.3419 31.7135 173.2017 66 R 4.5210 8.6693 124.6600 55.6245 30.8405 174.8030 67 D 4.8116 7.8039 118.7029 51.3076 42.3982 174.4053 68 P 4.3445 0.0000 0.0000 66.3460 30.9712 178.1740 69 M 4.0902 8.2782 118.3529 58.1166 31.9380 178.3844 70 Q 3.9733 7.9624 119.4795 59.1482 29.2577 178.5538 71 V 3.6366 7.7599 118.6972 66.0889 31.6938 177.8166 72 L 4.0404 8.0980 118.7160 57.9355 41.4149 179.7268 73 R 3.9860 8.4132 118.3476 59.3021 29.9633 179.0048 74 E 4.1272 8.1383 118.0901 59.1345 29.4422 179.0970 75 I 3.5178 7.7552 120.0562 64.4588 37.2320 178.4707 76 V 3.4773 7.6814 118.4545 65.9556 31.3456 177.9098 77 A 3.9610 8.0773 120.5170 55.1529 18.2643 179.1884 78 C 2.0000 7.8165 117.6426 62.0709 31.3636 176.0242 79 T 3.7640 7.6160 111.2609 64.2645 68.0231 176.4839 80 K 3.7954 7.6982 121.8260 59.3942 32.3390 178.4582 81 A 3.9844 7.5436 119.7396 53.4442 19.6998 177.5940 82 F 4.6441 7.6803 115.8813 55.0869 39.1303 173.7586 83 P 4.6308 0.0000 0.0000 63.7432 31.9633 177.7309 84 D 4.6524 7.9872 116.9388 53.9714 41.5390 175.6715 85 A 4.5998 7.3532 121.2272 50.6613 20.7256 177.1954 86 Y 4.2107 8.4898 118.0645 58.0964 39.3114 175.5427 87 V 5.2752 9.0550 123.3930 61.1394 35.1718 174.2737 88 R 5.0458 9.4857 123.9100 54.2933 33.0561 173.8543 89 L 4.8301 8.1098 123.4481 53.9252 43.8230 175.6908 90 V 4.7940 8.6976 118.3068 59.5528 36.5357 174.1371 91 A 4.8821 8.1067 121.5085 50.4797 22.8091 175.2057 92 F 5.3255 9.0013 119.7046 55.7247 42.6807 174.1813 93 D 5.3712 8.9216 122.6394 52.6854 42.3876 176.5865 94 N 4.6919 9.1467 123.4390 54.5592 38.3825 176.6169 95 Q 4.1350 8.6055 118.6106 59.0855 28.8540 177.5447 96 K 4.0715 8.3440 113.7649 56.5225 33.0931 176.4396 97 Q 3.4079 7.9587 118.8281 56.0513 27.0482 172.6299 98 V 4.5086 7.7793 117.5059 59.9604 35.0763 174.3519 99 Q 4.4589 8.7381 123.0827 56.5771 29.3230 175.5460 100 I 4.2670 8.4425 124.7052 61.1488 40.1217 174.4097 101 M 4.7367 6.9568 117.6427 53.9069 34.8625 173.7929 102 G 4.9977 8.2696 107.9896 47.1215 0.0000 172.2778 103 F 5.0695 7.1394 117.2127 55.3459 41.2003 173.2274 104 L 4.7020 8.8693 120.6991 55.4239 41.6404 177.3756 105 V 4.4986 9.0298 115.6235 61.5101 33.5927 175.6407 106 Q 4.5993 7.8121 120.6910 54.9036 32.3100 173.0705 107 R 4.4948 8.1665 123.2261 53.0962 34.2012 173.7697 108 P 4.2628 0.0000 0.0000 62.5991 31.8939 178.2275 109 K 4.1502 8.4346 121.1539 59.4695 32.2175 178.4197 110 T 4.0274 7.7581 106.3105 62.4147 69.1145 174.1723 111 A 4.3236 7.4478 125.9749 52.1340 18.8020 177.4400 112 R 4.3949 8.5185 119.3991 55.8820 30.2460 175.6302 113 D 4.7733 8.2932 116.3960 53.8072 39.9617 175.3130 114 F 5.4562 7.3126 113.0315 54.1947 41.0883 173.8204 115 Q 4.5590 8.4498 120.1518 53.0843 30.8369 174.2353 116 P 4.4431 0.0000 0.0000 62.5802 31.8044 176.8796 117 A 3.9633 8.9323 123.4448 55.6831 18.1636 179.0680 118 N 4.7409 8.1079 109.0300 53.5789 37.7116 175.4157 119 K 4.4622 7.9143 117.2893 56.4701 32.9338 177.3401 120 R 3.6346 7.5107 119.5143 57.7229 30.1993 176.5723 121 S 5.0892 7.4910 110.4150 56.3705 66.1591 174.2430 122 V 3.9988 8.5301 114.6007 61.7252 32.0375 175.6441 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 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.56 4.45 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 3 V 8.29 4.36 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 1.10 0.00 0.00 0.97 0.00 0.00 4 W 8.99 4.58 0.00 3.48 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.27 4.17 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 1.11 0.00 0.00 6 P 0.00 4.45 0.00 2.24 2.19 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 7 V 7.47 3.93 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.57 4.26 0.00 2.84 2.76 0.00 0.00 6.52 6.92 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 9 N 7.44 4.83 0.00 2.65 2.67 0.00 0.00 7.32 6.68 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 10 K 8.25 4.05 0.00 1.84 1.39 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.82 7.81 11 M 7.77 4.79 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 12 F 8.46 4.83 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.23 3.57 0.00 2.14 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 14 T 8.37 3.77 4.16 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 0.20 0.00 0.00 15 F 9.04 4.54 0.00 3.27 3.18 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 16 S 8.14 4.49 0.00 4.12 4.19 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 17 Y 8.26 4.35 0.00 3.03 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.61 4.69 0.00 1.85 1.61 0.86 0.93 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 19 P 0.00 4.44 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 20 P 0.00 4.32 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 21 L 8.33 4.04 0.00 1.62 1.51 0.55 0.53 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 22 T 8.22 4.21 4.22 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 1.19 0.00 0.00 23 D 8.58 4.35 0.00 2.71 2.78 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 24 E 8.13 3.91 0.00 2.02 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 2.36 2.40 0.00 25 Q 7.95 3.90 0.00 2.30 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 8.08 3.74 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.98 1.09 0.00 0.00 27 A 8.35 4.06 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 28 A 8.25 3.97 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 29 Q 8.16 4.12 0.00 2.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 1.85 0.00 30 V 8.11 3.74 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 1.10 0.00 0.00 1.12 0.00 0.00 31 D 8.39 4.43 0.00 3.00 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 32 Y 8.11 4.19 0.00 3.07 3.35 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 33 I 7.96 3.81 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.43 1.04 0.00 0.00 34 V 7.84 3.51 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.09 3.93 1.26 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 0.00 0.00 36 N 7.07 4.13 0.00 1.44 1.42 0.00 0.00 7.03 7.80 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 37 G 7.23 3.77 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 0.00 0.00 0.00 38 W 7.37 4.94 0.00 3.35 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 39 I 8.90 4.33 2.12 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.81 0.00 0.00 40 P 0.00 4.88 0.00 2.08 1.98 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.94 4.99 0.00 2.99 2.56 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 0.00 42 L 8.74 5.36 0.00 1.88 1.64 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.17 5.60 0.00 2.11 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 2.38 2.33 0.00 44 F 9.07 5.58 0.00 3.08 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 45 A 8.17 4.24 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.81 3.80 0.00 1.78 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 47 H 7.61 5.15 0.00 3.06 3.20 0.00 5.83 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 48 S 8.47 4.62 0.00 3.08 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 49 N 8.52 5.09 0.00 2.76 2.83 0.00 0.00 6.81 8.03 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 50 P 0.00 4.13 0.00 2.07 2.10 0.00 3.72 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 1.93 1.94 0.00 51 E 7.96 3.73 0.00 1.90 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 0.00 2.28 2.32 0.00 52 E 7.68 4.40 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 53 F 8.88 4.03 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.87 4.75 0.00 3.09 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 55 W 8.61 5.05 0.00 3.12 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 56 T 8.15 4.29 2.94 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 0.96 0.00 0.00 57 M 8.54 4.52 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.78 0.00 58 W 9.62 4.84 0.00 3.70 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 59 K 8.64 3.50 0.00 1.71 0.76 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.69 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.80 0.21 7.81 60 L 8.31 4.95 0.00 1.62 1.61 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.25 0.00 0.64 1.84 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 2.01 2.21 0.00 62 M 8.58 4.32 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 63 F 7.38 4.47 0.00 3.11 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 64 G 9.12 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 65 C 7.97 4.32 0.00 3.03 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 66 R 8.67 4.52 0.00 1.81 1.87 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 67 D 7.80 4.81 0.00 2.65 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 68 P 0.00 4.34 0.00 2.33 2.34 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 69 M 8.28 4.09 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 70 Q 7.96 3.97 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 71 V 7.76 3.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 72 L 8.10 4.04 0.00 1.90 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.41 3.99 0.00 2.07 2.02 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 74 E 8.14 4.13 0.00 2.26 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 2.61 2.66 0.00 75 I 7.76 3.52 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.87 0.00 0.00 76 V 7.68 3.48 2.20 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 0.98 0.00 0.00 0.97 0.00 0.00 77 A 8.08 3.96 1.52 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 78 C 7.82 2.00 0.00 1.23 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 0.00 0.00 0.00 79 T 7.62 3.76 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 80 K 7.70 3.80 0.00 1.82 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.39 7.81 81 A 7.54 3.98 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 82 F 7.68 4.64 0.00 2.78 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 83 P 0.00 4.63 0.00 2.12 2.09 0.00 3.25 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 84 D 7.99 4.65 0.00 2.66 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 85 A 7.35 4.60 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.49 4.21 0.00 2.44 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 5.28 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 0.83 0.00 0.00 0.95 0.00 0.00 88 R 9.49 5.05 0.00 1.88 2.04 0.00 2.39 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 89 L 8.11 4.83 0.00 1.55 0.80 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.70 4.79 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.40 0.00 0.00 91 A 8.11 4.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 9.00 5.33 0.00 3.00 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 93 D 8.92 5.37 0.00 2.38 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 94 N 9.15 4.69 0.00 2.94 3.05 0.00 0.00 6.34 7.39 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 95 Q 8.61 4.13 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 96 K 8.34 4.07 0.00 1.75 1.85 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.44 7.81 97 Q 7.96 3.41 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 98 V 7.78 4.51 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 0.54 0.00 0.00 0.92 0.00 0.00 99 Q 8.74 4.46 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 100 I 8.44 4.27 1.26 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 -0.50 0.00 0.00 101 M 6.96 4.74 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 102 G 8.27 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.14 5.07 0.00 3.25 3.18 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 0.00 104 L 8.87 4.70 0.00 1.68 1.74 1.27 0.70 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 0.00 105 V 9.03 4.50 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 0.69 0.00 0.00 0.94 0.00 0.00 106 Q 7.81 4.60 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 107 R 8.17 4.49 0.00 1.46 1.32 0.00 2.60 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.36 0.00 108 P 0.00 4.26 0.00 2.00 1.90 0.00 2.63 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 109 K 8.43 4.15 0.00 1.71 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.33 7.81 110 T 7.76 4.03 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 1.20 0.00 0.00 111 A 7.45 4.32 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 0.00 112 R 8.52 4.39 0.00 1.76 1.85 0.00 3.36 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 113 D 8.29 4.77 0.00 2.99 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 0.00 114 F 7.31 5.46 0.00 3.32 3.31 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 0.00 0.00 0.00 0.00 115 Q 8.45 4.56 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 116 P 0.00 4.44 0.00 2.21 2.20 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 117 A 8.93 3.96 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 0.00 118 N 8.11 4.74 0.00 2.84 2.95 0.00 0.00 5.85 7.13 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 0.00 119 K 7.91 4.46 0.00 1.80 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.46 7.81 120 R 7.51 3.63 0.00 1.61 0.66 0.00 3.06 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.51 0.00 121 S 7.49 5.09 0.00 4.01 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 0.00 122 V 8.53 4.00 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 0.63 0.00 0.00 0.98 0.00 0.00