NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3227 8.3044 120.3483 54.2772 33.1737 176.4388 2 L 4.0775 8.4297 121.8664 53.2393 43.7240 170.5684 3 M 4.1363 7.7420 121.8513 52.7851 34.8044 172.2776 4 P 4.5920 0.0000 0.0000 62.5866 32.1692 177.1858 5 R 4.0617 8.4912 118.3793 57.4524 30.4573 176.0205 6 R 4.5403 7.0101 115.4369 56.1193 34.4549 173.1968 7 M 4.4481 7.8968 117.3251 55.5108 35.5012 174.9171 8 K 4.1489 8.3500 117.7924 56.8553 33.7224 176.7640 9 Y 4.8501 7.2865 115.6587 56.4195 41.3847 175.1200 10 R 4.0936 8.8912 125.0772 57.7586 30.6510 175.9959 11 K 4.5915 8.0837 116.8037 54.4733 34.2921 175.1528 12 Q 4.7097 8.3859 121.3972 53.6842 30.3487 175.4186 13 Q 4.1699 8.5288 118.8120 56.2318 29.3702 178.1371 14 R 4.3226 8.8322 119.9829 57.4753 30.4203 178.4798 15 G 3.9874 7.4078 106.4271 45.0654 0.0000 172.2590 16 R 4.3533 7.9493 116.3112 54.4094 33.0419 175.3937 17 L 4.2702 8.1791 124.1712 54.0711 41.9967 176.7228 18 K 4.5017 7.9709 128.8708 55.9822 30.6877 177.3986 19 G 4.1474 8.3198 106.7983 43.9373 0.0000 172.1934 20 A 3.9454 9.8964 118.8373 52.0173 15.4524 178.0137 21 T 4.2612 8.5768 109.4049 64.4157 75.5466 175.0932 22 K 4.1407 8.0445 119.2947 55.4726 31.0956 175.3063 23 G 4.2063 8.2243 109.6370 46.1803 0.0000 170.3324 24 G 3.4715 8.7873 113.8705 45.8732 0.0000 177.9890 25 D 4.0818 7.3243 119.3828 54.8456 41.4290 176.0747 26 Y 4.8567 6.8150 115.7809 54.6124 38.9135 174.8544 27 V 3.9266 8.4786 119.8627 62.3577 32.2046 177.6402 28 A 3.7709 8.5461 124.8574 52.1294 17.2582 177.8622 29 F 4.6229 7.6292 110.5280 57.6826 42.4276 178.8373 30 G 4.3967 8.5963 117.3308 46.3981 0.0000 171.9395 31 D 4.7622 8.5951 115.9607 54.0450 43.0718 175.1964 32 Y 4.6922 7.6261 114.1807 57.5053 41.3107 174.0017 33 G 4.4321 7.7931 110.3597 45.7199 0.0000 170.6199 34 L 5.4437 8.0962 122.0390 52.9987 44.5079 175.6348 35 V 4.9507 9.1221 124.7538 59.6766 34.8136 174.6342 36 A 4.6029 8.2753 123.9062 51.5804 19.4308 178.3140 37 L 4.3078 8.5650 118.3445 55.8222 42.6779 176.2441 38 E 4.4513 7.9430 118.4001 53.3963 29.9252 173.5698 39 P 4.1458 0.0000 0.0000 62.6923 32.0045 176.0578 40 A 4.3301 7.1858 123.7392 51.2602 22.4449 176.4568 41 W 4.7003 8.7131 121.0931 56.8640 30.0696 175.4869 42 I 4.6577 8.5885 123.8821 59.3763 40.4514 173.8371 43 T 5.6782 9.9639 120.2384 60.4144 70.1256 175.7931 44 A 3.9741 8.8640 128.8895 55.2129 18.5465 179.0188 45 Q 3.9346 8.2413 115.6041 59.9373 28.4022 178.8111 46 Q 3.9551 8.1148 120.2333 58.4661 28.9212 178.5221 47 I 3.8423 8.5393 121.0442 65.3275 36.7249 177.8005 48 E 3.9185 9.1610 119.5358 59.2570 29.7537 178.8240 49 A 4.0791 8.5311 121.2905 54.8599 18.0026 178.8151 50 A 4.2392 7.7443 118.9067 54.4378 19.6878 179.5583 51 R 3.5724 7.3839 113.7926 59.6116 29.4373 178.0410 52 V 3.6199 9.5609 119.1211 63.8964 31.0562 177.7071 53 A 3.9334 6.7055 118.6570 55.2750 18.9478 178.8619 54 M 3.7355 10.4246 113.7322 57.9054 31.9323 178.1422 55 V 4.1124 6.7168 120.1324 65.7433 32.2398 178.0672 56 R 3.9619 8.3365 117.3854 59.7801 30.0930 178.1007 57 H 3.2766 8.7320 112.4544 60.0955 31.4588 175.9353 58 F 4.7029 8.4056 115.8572 55.0788 37.3872 175.7409 59 R 3.9532 7.9505 118.0980 58.3041 30.0077 176.5965 60 R 3.8195 8.5998 115.6927 57.1044 29.4977 177.7212 61 G 3.7506 7.6159 114.4962 45.9225 0.0000 176.8235 62 G 3.7598 8.5148 108.6543 45.4726 0.0000 175.7577 63 K 4.6525 5.9870 122.1650 54.9587 36.2874 173.7428 64 I 4.3192 8.0506 125.7982 59.4557 40.9663 174.4010 65 F 5.2027 7.7950 118.7449 55.9656 44.1567 174.2114 66 I 5.0981 8.3418 113.2131 59.1159 39.1719 176.2258 67 R 3.9901 10.1392 128.1250 57.7500 30.1428 176.7805 68 I 4.4205 7.2612 111.4511 59.3047 39.8935 175.2460 69 F 4.7972 8.2146 121.3547 57.0442 40.6571 173.4584 70 P 5.4272 0.0000 0.0000 62.1618 30.2457 178.2470 71 D 4.3594 7.7328 115.2220 54.3666 38.6242 175.6971 72 K 4.3917 8.5860 122.9146 54.6645 34.3607 172.4711 73 P 3.7038 0.0000 0.0000 62.7091 31.6983 175.9165 74 Y 3.8910 7.7852 125.8451 58.0469 40.3559 175.5383 75 T 5.3419 8.8457 119.6744 62.3027 71.6126 172.9603 76 K 4.6413 8.5105 127.3213 54.4535 35.8389 174.7673 77 K 4.8214 8.2829 121.5694 53.6036 34.8191 174.4861 78 P 4.3600 0.0000 0.0000 62.1957 31.6612 175.6878 79 L 3.7332 8.2256 124.4787 56.0529 42.7036 176.5339 80 E 3.8488 8.8744 122.8670 56.8084 26.9931 174.6265 81 V 4.0272 7.2754 118.2843 60.5757 32.5435 176.3425 82 R 4.1612 8.2026 121.1257 55.8494 30.6909 175.8363 83 M 4.3049 8.4397 119.4116 55.4303 33.5615 180.2599 84 G 3.6805 8.9708 109.9879 44.8262 0.0000 175.8049 85 K 3.7903 9.9294 117.5848 56.5133 30.2029 173.0956 86 G 4.0035 7.6180 109.9061 43.0802 0.0000 175.8533 87 K 4.8094 9.2371 135.0000 56.7242 33.8434 172.7184 88 G 4.5048 7.6654 113.6358 43.1950 0.0000 173.0736 89 N 4.8158 8.4983 119.1631 52.5303 41.0218 174.4643 90 V 4.0560 7.9979 119.6055 63.6870 32.7078 175.5509 91 E 4.4905 8.6482 120.4934 55.8240 32.5834 178.3056 92 G 4.4951 8.0984 114.5360 46.4038 0.0000 171.9346 93 Y 5.2512 8.4607 118.5974 57.2635 43.2107 174.1024 94 V 5.5324 8.4608 112.5733 60.2585 36.7056 173.6289 95 A 4.7007 8.3510 121.5197 49.3444 22.1226 177.3872 96 V 3.9648 8.0274 119.0089 62.8551 29.8235 179.4744 97 V 3.8226 7.5234 114.9462 61.0069 29.9614 174.5611 98 K 4.5222 8.1535 123.1520 54.5941 32.5979 174.2094 99 P 4.3040 0.0000 0.0000 63.4009 31.1619 175.8829 100 G 3.9250 8.8663 109.6917 45.7897 0.0000 172.7381 101 R 4.3558 7.5975 121.7135 54.5234 31.0829 175.4857 102 V 3.9068 8.2477 125.2944 63.1218 31.9567 174.2418 103 M 4.2429 8.2838 125.8533 56.2550 33.2388 175.6103 104 F 5.4897 7.3686 115.9457 55.1543 43.5214 174.2387 105 E 4.7668 8.6367 118.1552 56.1468 31.8610 174.8241 106 V 4.4561 8.6062 118.1179 60.5871 34.4078 175.0210 107 A 4.8497 8.4018 121.5763 52.1817 22.7895 177.2881 108 G 3.8812 8.7258 106.9801 45.1681 0.0000 173.0246 109 V 4.4860 7.2084 117.3326 59.9979 35.0223 175.2074 110 T 4.0934 8.1409 116.2607 61.4454 68.9110 174.3478 111 E 2.9396 8.7641 128.1453 59.3909 29.3700 178.1927 112 E 3.7914 7.7198 117.4688 60.0552 29.2416 178.8146 113 Q 3.9721 7.8983 116.4314 58.8263 28.9671 178.2085 114 A 3.9757 7.9067 121.7984 55.7888 18.1787 179.5220 115 M 3.8241 7.9467 114.9728 57.9719 32.2659 176.6979 116 E 4.2489 9.2009 118.7703 56.7044 30.4099 177.5598 117 A 3.4217 6.9024 119.5089 55.1001 18.8231 179.2130 118 L 3.7796 8.8032 118.2381 58.4191 41.6069 180.6175 119 R 3.7001 7.9308 118.0799 58.9847 30.5281 178.2687 120 I 3.7437 7.3907 119.4163 64.5742 37.3302 178.0440 121 A 3.6374 8.2140 121.7654 55.5672 17.8154 179.8829 122 G 3.6297 7.7531 103.0693 47.6381 0.0000 174.9130 123 H 4.6208 8.8251 118.3247 57.6402 29.3826 177.3309 124 K 4.2115 7.9969 118.6042 57.6564 32.1754 176.9423 125 L 4.5343 7.3988 119.0536 53.2536 42.9530 174.4923 126 P 4.7565 0.0000 0.0000 62.7066 31.9249 174.8732 127 I 4.7454 7.2585 112.5793 59.5113 40.1549 174.5661 128 K 4.5728 8.4104 118.7221 55.9175 33.8892 176.3385 129 T 4.7401 7.6153 109.9611 62.7699 71.2507 172.5141 130 K 4.3241 7.2712 118.9160 56.6389 36.4759 174.7978 131 I 5.6344 8.5497 127.2544 59.4354 39.3456 175.1256 132 V 4.7519 8.2387 118.9781 58.7578 36.1197 175.8645 133 R 4.3769 8.5072 119.8984 56.9944 30.1657 178.6111 134 R 4.0253 8.3075 125.7748 57.2492 31.9557 177.2473 135 D 3.8315 6.6104 112.4210 55.0398 42.2872 176.7455 136 A 4.4150 8.0609 123.2168 53.4323 20.0651 178.7498 137 Y 4.2932 8.2787 110.6356 58.9446 37.4361 175.4444 138 D 4.7473 8.2113 121.6565 53.0846 41.5531 176.6441 139 E 4.4707 8.4044 123.9474 53.6888 30.2744 174.6793 140 A 4.4061 8.3609 122.0281 50.4975 21.3811 176.5267 141 Q 4.3536 8.5360 119.4574 55.6751 29.7469 173.8260 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 4.32 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 L 8.43 4.08 0.00 1.66 1.52 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.74 4.14 0.00 1.56 0.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 4 P 0.00 4.59 0.00 2.46 2.14 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 5 R 8.49 4.06 0.00 1.83 2.01 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 6 R 7.01 4.54 0.00 1.59 1.79 0.00 3.34 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 7 M 7.90 4.45 0.00 2.09 1.94 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 2.46 2.53 0.00 8 K 8.35 4.15 0.00 0.79 1.00 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.57 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.16 1.24 7.81 9 Y 7.29 4.85 0.00 2.95 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 10 R 8.89 4.09 0.00 1.81 2.00 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 11 K 8.08 4.59 0.00 1.76 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.40 7.81 12 Q 8.39 4.71 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 13 Q 8.53 4.17 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 14 R 8.83 4.32 0.00 1.88 2.19 0.00 3.43 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 15 G 7.41 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 16 R 7.95 4.35 0.00 1.65 1.68 0.00 3.17 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 17 L 8.18 4.27 0.00 1.53 1.50 0.68 0.51 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 18 K 7.97 4.50 0.00 1.67 1.10 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 19 G 8.32 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.90 3.95 1.32 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 21 T 8.58 4.26 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 1.27 0.00 0.00 22 K 8.04 4.14 0.00 1.90 1.99 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.41 7.81 23 G 8.22 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 0.00 0.00 0.00 0.00 24 G 8.79 3.47 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 0.00 25 D 7.32 4.08 0.00 2.77 2.84 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 0.00 0.00 0.00 26 Y 6.82 4.86 0.00 3.12 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 27 V 8.48 3.93 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 1.22 0.00 0.00 0.64 0.00 0.00 28 A 8.55 3.77 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 29 F 7.63 4.62 0.00 3.28 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 30 G 8.60 4.40 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 0.00 31 D 8.60 4.76 0.00 2.83 2.45 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 32 Y 7.63 4.69 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 33 G 7.79 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.10 5.44 0.00 1.91 1.57 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.12 4.95 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 0.82 0.00 0.00 0.96 0.00 0.00 36 A 8.28 4.60 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 37 L 8.56 4.31 0.00 1.70 1.73 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.94 4.45 0.00 1.94 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 2.20 2.28 0.00 39 P 0.00 4.15 0.00 1.96 1.96 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 40 A 7.19 4.33 1.32 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 41 W 8.71 4.70 0.00 3.27 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 42 I 8.59 4.66 1.95 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 1.47 1.46 1.00 0.00 0.00 43 T 9.96 5.68 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 44 A 8.86 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 45 Q 8.24 3.93 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 46 Q 8.11 3.96 0.00 2.30 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 47 I 8.54 3.84 2.17 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 1.54 1.21 1.07 0.00 0.00 48 E 9.16 3.92 0.00 2.01 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 2.31 2.33 0.00 49 A 8.53 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.24 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 51 R 7.38 3.57 0.00 1.98 2.28 0.00 2.79 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 52 V 9.56 3.62 2.27 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 1.01 0.00 0.00 0.95 0.00 0.00 53 A 6.71 3.93 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 54 M 10.42 3.74 0.00 2.10 1.65 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 55 V 6.72 4.11 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 0.96 0.00 0.00 0.95 0.00 0.00 56 R 8.34 3.96 0.00 1.94 2.04 0.00 3.36 0.00 0.00 3.16 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 57 H 8.73 3.28 0.00 3.10 2.85 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.41 4.70 0.00 3.20 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 59 R 7.95 3.95 0.00 1.92 2.17 0.00 3.22 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 60 R 8.60 3.82 0.00 1.88 1.96 0.00 3.19 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 61 G 7.62 3.75 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 0.00 0.00 0.00 62 G 8.51 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 63 K 5.99 4.65 0.00 1.89 1.55 0.00 1.73 0.00 0.00 2.05 0.00 0.00 3.10 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.25 1.46 7.81 64 I 8.05 4.32 1.77 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 1.32 0.67 0.83 0.00 0.00 65 F 7.79 5.20 0.00 2.94 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 66 I 8.34 5.10 2.12 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 1.47 0.93 1.18 0.00 0.00 67 R 10.14 3.99 0.00 2.05 2.05 0.00 3.56 0.00 0.00 3.45 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 68 I 7.26 4.42 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.87 0.00 0.00 69 F 8.21 4.80 0.00 2.85 3.01 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 70 P 0.00 5.43 0.00 2.19 2.24 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 71 D 7.73 4.36 0.00 2.76 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 72 K 8.59 4.39 0.00 1.78 1.73 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.27 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.14 1.58 7.81 73 P 0.00 3.70 0.00 1.90 1.98 0.00 3.75 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 2.28 0.00 74 Y 7.79 3.89 0.00 2.76 2.48 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 75 T 8.85 5.34 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 1.24 0.00 0.00 76 K 8.51 4.64 0.00 1.50 1.63 0.00 1.37 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.40 7.81 77 K 8.28 4.82 0.00 1.75 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 78 P 0.00 4.36 0.00 2.16 1.96 0.00 3.62 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 2.09 2.04 0.00 79 L 8.23 3.73 0.00 1.59 1.57 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.87 3.85 0.00 2.17 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 2.19 2.28 0.00 81 V 7.28 4.03 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 0.71 0.00 0.00 0.93 0.00 0.00 82 R 8.20 4.16 0.00 1.82 1.92 0.00 3.38 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 83 M 8.44 4.30 0.00 2.01 2.03 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 2.61 2.49 0.00 84 G 8.97 3.68 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 0.00 0.00 0.00 85 K 9.93 3.79 0.00 1.85 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.36 7.81 86 G 7.62 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 0.00 0.00 0.00 87 K 9.24 4.81 0.00 1.77 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.19 7.81 88 G 7.67 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.50 4.82 0.00 2.69 2.76 0.00 0.00 6.58 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 90 V 8.00 4.06 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 0.77 0.00 0.00 0.88 0.00 0.00 91 E 8.65 4.49 0.00 1.32 1.22 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 1.90 1.61 0.00 92 G 8.10 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.46 5.25 0.00 2.80 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.46 5.53 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.03 0.00 0.00 95 A 8.35 4.70 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 96 V 8.03 3.96 2.14 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 0.87 0.00 0.00 1.01 0.00 0.00 97 V 7.52 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 0.78 0.00 0.00 1.08 0.00 0.00 98 K 8.15 4.52 0.00 1.79 1.98 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 99 P 0.00 4.30 0.00 2.03 2.06 0.00 3.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 100 G 8.87 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 0.00 101 R 7.60 4.36 0.00 1.79 1.77 0.00 3.11 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 102 V 8.25 3.91 2.14 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 1.03 0.00 0.00 1.07 0.00 0.00 103 M 8.28 4.24 0.00 1.08 0.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 104 F 7.37 5.49 0.00 3.08 2.85 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 0.00 105 E 8.64 4.77 0.00 2.35 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 2.62 2.89 0.00 106 V 8.61 4.46 2.24 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 0.91 0.00 0.00 1.08 0.00 0.00 107 A 8.40 4.85 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 0.00 108 G 8.73 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 0.00 109 V 7.21 4.49 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 1.07 0.00 0.00 0.87 0.00 0.00 110 T 8.14 4.09 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 1.30 0.00 0.00 111 E 8.76 2.94 0.00 2.15 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 2.35 2.48 0.00 112 E 7.72 3.79 0.00 2.01 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 2.30 2.37 0.00 113 Q 7.90 3.97 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 114 A 7.91 3.98 0.97 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 0.00 115 M 7.95 3.82 0.00 1.92 2.30 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 116 E 9.20 4.25 0.00 1.96 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 117 A 6.90 3.42 0.55 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 0.00 0.00 118 L 8.80 3.78 0.00 1.71 1.75 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.93 3.70 0.00 2.14 1.88 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 120 I 7.39 3.74 1.81 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 1.48 0.97 0.89 0.00 0.00 121 A 8.21 3.64 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 0.00 122 G 7.75 3.63 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 0.00 0.00 0.00 123 H 8.83 4.62 0.00 3.15 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.00 4.21 0.00 1.93 1.91 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.46 7.81 125 L 7.40 4.53 0.00 1.73 1.68 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.76 0.00 2.21 2.20 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 127 I 7.26 4.75 1.87 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 1.43 0.75 1.00 0.00 0.00 128 K 8.41 4.57 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.61 7.81 129 T 7.62 4.74 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 1.23 0.00 0.00 130 K 7.27 4.32 0.00 2.01 1.66 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.27 7.81 131 I 8.55 5.63 1.93 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 1.40 1.09 1.09 0.00 0.00 132 V 8.24 4.75 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 0.97 0.00 0.00 1.07 0.00 0.00 133 R 8.51 4.38 0.00 1.76 0.93 0.00 3.12 0.00 0.00 3.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.42 0.00 134 R 8.31 4.03 0.00 1.70 1.80 0.00 3.06 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 135 D 6.61 3.83 0.00 2.87 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 0.00 136 A 8.06 4.41 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 0.00 137 Y 8.28 4.29 0.00 3.05 3.16 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 0.00 138 D 8.21 4.75 0.00 2.63 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 0.00 139 E 8.40 4.47 0.00 1.61 1.69 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 1.74 1.92 0.00 140 A 8.36 4.41 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.54 4.35 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00