NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2345 8.3031 122.0183 56.5461 32.9740 174.8414 3 G 3.8172 8.3312 115.7960 43.6420 0.0000 169.4012 4 D 4.5735 8.5384 119.6831 53.5054 42.3932 175.3923 5 K 3.8544 8.9566 126.6336 59.8040 32.2008 178.9940 6 K 3.9480 8.0678 118.1923 59.1065 32.0130 179.3423 7 V 3.5246 8.1787 118.6246 66.2080 31.4887 177.8979 8 I 3.7285 7.8276 119.5569 64.7593 36.9351 178.1713 9 Q 3.9770 7.9668 120.0873 59.2739 28.7869 177.8356 10 H 4.1131 8.2793 117.3091 58.8506 28.7196 177.6298 11 L 3.9914 8.3992 121.1571 58.1135 41.5994 179.4873 12 N 4.3622 8.6542 116.5877 55.7549 38.3855 177.5664 13 K 3.9441 7.9893 121.4606 59.5390 32.2669 178.9857 14 I 3.7238 8.0499 120.4581 64.1874 36.9064 177.9937 15 L 4.0283 8.2121 121.4863 58.3314 41.7934 179.4124 16 G 3.5760 8.0232 105.0783 47.8014 0.0000 175.4608 17 N 4.3788 8.1790 118.7973 56.0983 38.6202 177.3301 18 E 3.9754 8.3819 120.2480 59.4906 29.3703 179.4009 19 L 4.0765 8.2079 119.2458 57.7390 41.5179 179.7721 20 I 3.6518 7.5804 119.2967 64.3247 37.0044 178.3728 21 A 3.3075 7.7045 121.2222 54.6586 18.0735 179.5691 22 I 3.5934 7.9247 118.8229 64.8606 37.2443 178.4412 23 N 4.4021 7.7601 116.9270 56.0953 38.3667 177.3537 24 Q 3.8405 8.1635 121.2906 59.5089 29.2009 178.0853 25 Y 4.7054 7.8421 119.2003 60.5874 37.9200 178.0429 26 F 3.8269 8.4839 121.6952 61.2376 39.4358 177.0540 27 L 3.9647 8.1075 119.7654 58.5281 41.8954 178.4559 28 H 3.8586 8.1991 116.2131 58.8347 28.5062 177.6500 29 S 4.3858 8.6322 115.1699 61.7077 62.2300 176.5693 30 R 3.8267 7.8611 120.6633 59.2072 29.5960 178.9616 31 M 3.4593 8.3264 118.9033 57.9636 31.8052 178.7869 32 W 4.5660 8.1085 119.3875 59.9379 29.2066 178.2841 33 N 4.3818 8.5095 116.6205 56.4798 37.7775 176.9513 34 D 4.3301 8.0017 118.2711 56.6472 41.3442 177.4185 35 W 4.9381 7.7319 117.0456 56.3501 29.7309 177.1096 36 G 3.9914 8.3101 108.0319 46.0472 0.0000 174.2586 37 L 4.7791 8.0354 122.2962 53.4574 40.2943 177.5540 38 K 4.1588 8.4834 120.7855 58.4597 32.4874 178.7551 39 R 3.9857 7.9403 119.5370 58.7104 30.0540 178.1472 40 L 3.6993 7.7329 118.5441 57.6962 41.5349 179.4043 41 G 3.8608 8.1461 105.2404 47.9551 0.0000 175.5478 42 A 4.0169 7.9793 122.9190 55.1762 18.3822 179.2559 43 H 3.9012 8.1774 116.8620 59.2945 29.5085 177.1246 44 E 3.9699 8.4959 121.3097 59.3119 29.4900 178.1491 45 Y 4.0972 8.1639 119.7307 60.9402 38.9065 177.3545 46 H 3.9486 8.4952 119.1810 59.3757 29.8964 177.0220 47 E 3.7997 8.2653 120.3472 59.4503 29.3072 179.1552 48 S 4.3270 8.4419 113.4729 61.6560 62.4091 176.3940 49 I 3.6340 7.4957 122.4617 64.2394 36.7916 177.9709 50 D 4.2639 7.9777 119.7822 57.4903 40.5638 178.8755 51 E 4.1804 7.9750 119.7864 59.0810 29.4287 179.0295 52 M 4.0032 8.0805 118.7479 58.6758 31.9055 179.0739 53 K 4.0663 8.1274 118.2666 59.4441 32.1973 179.2923 54 H 4.2723 8.1890 116.5380 58.8084 28.6339 177.4616 55 A 4.0199 8.3762 123.0083 55.3557 18.1744 179.2065 56 D 4.2630 7.9559 115.9897 57.4924 41.3268 178.6993 57 K 4.0518 7.9338 119.0667 59.2025 31.9784 179.4238 58 L 4.0157 8.0143 119.3911 57.9156 41.6385 179.5843 59 I 3.7439 7.9249 119.7435 64.3647 37.0179 178.4490 60 E 3.9686 8.1686 119.3617 59.3867 29.3482 179.2643 61 R 4.0126 8.1129 118.7249 59.6699 30.1622 178.6218 62 I 3.7799 8.2305 119.9538 64.3823 37.1635 178.4837 63 L 4.0543 7.9911 119.8350 57.5848 41.1995 179.2766 64 F 4.3179 8.1618 119.9494 61.1921 39.6981 176.4754 65 L 3.9376 7.9323 116.1692 54.5831 41.1501 177.4595 66 E 3.4962 7.7554 118.7286 56.5644 28.4690 174.1751 67 G 3.8745 7.8081 106.3819 43.9064 0.0000 173.6291 68 L 4.4932 7.9889 119.0619 52.0325 41.9521 175.2101 69 P 4.3299 0.0000 0.0000 62.4781 31.7050 175.9844 70 N 4.6688 9.2956 123.0097 52.4859 38.3517 173.9967 71 L 4.6351 8.2656 123.9486 54.4751 42.5523 177.5076 72 Q 4.0901 8.3302 121.7162 57.5679 29.3253 175.5223 73 D 4.7256 8.0764 117.6214 52.2473 42.0777 175.1976 74 L 4.5478 8.3153 126.3599 52.7554 43.6237 176.8651 75 G 3.8136 8.3716 117.2811 45.1666 0.0000 170.6995 76 K 4.2752 8.3707 121.2800 54.9929 32.8797 177.2757 77 L 4.0789 8.3985 126.8604 54.5383 42.1902 176.9045 78 L 4.3624 8.6026 124.3168 53.4159 40.8868 175.7132 79 I 4.2480 8.0207 124.8407 59.3500 37.6145 176.6668 80 G 3.9239 8.6956 114.9686 45.2799 0.0000 172.3108 81 E 4.7091 8.6764 115.4655 55.7033 30.7532 175.4614 82 N 4.9940 7.6217 117.1459 51.0077 41.9355 174.7438 83 T 4.4070 8.4387 109.9457 64.9623 69.0145 176.3635 84 Q 3.9343 8.1663 122.0604 59.0955 29.1750 177.7643 85 E 4.0159 8.5991 120.3555 59.3481 29.6157 178.7285 86 M 3.9675 8.2175 118.9599 58.2951 31.9237 178.7344 87 L 4.1503 8.1165 119.2471 57.8139 41.7482 179.3783 88 Q 3.9700 8.2222 119.6508 59.2525 28.9851 177.8963 89 C 4.1785 8.6768 118.2142 62.9928 28.1974 175.7570 90 D 4.6790 8.4327 120.4489 57.4154 40.4240 178.7105 91 L 4.0088 8.2310 120.7884 58.3118 42.1594 178.6423 92 N 4.3464 8.3815 116.5092 56.3391 38.3950 177.1125 93 L 4.0235 8.0652 121.6258 58.2601 42.1660 178.9377 94 E 4.0749 8.3299 118.5870 59.4247 29.5326 179.3166 95 L 4.0082 8.1942 119.1648 57.6694 41.7969 179.5208 96 K 3.9939 8.3344 119.4536 59.3396 32.1486 178.8055 97 A 4.0498 8.2967 121.4495 55.3868 18.2962 179.7247 98 T 3.8382 8.6587 114.6775 66.5590 68.5824 176.6662 99 K 3.9129 7.9555 121.1711 59.8414 32.2739 178.6171 100 D 4.4373 8.0445 118.6326 57.2993 40.6939 178.7973 101 L 4.0563 8.1069 119.6665 57.5969 41.5684 179.7208 102 R 3.9259 8.0594 118.1153 59.3556 30.0595 178.8924 103 E 3.9606 8.0483 117.5812 59.4918 29.4952 179.4140 104 A 3.5920 8.0982 120.6755 54.9200 18.3682 179.8276 105 I 3.6879 7.8867 118.6162 64.3241 37.1812 178.6162 106 V 3.5720 7.7917 119.2035 66.2956 31.3317 177.5358 107 H 3.9652 8.0842 117.7714 59.3870 29.6155 176.7902 108 C 3.9794 8.0279 118.4874 62.8289 27.9572 175.5662 109 E 3.8640 8.1610 120.6088 59.5444 28.9838 178.5590 110 Q 3.9220 7.7851 117.7764 58.9024 29.0776 177.9269 111 V 3.9732 7.2985 110.2046 60.6799 31.8502 175.6264 112 H 3.1232 7.5726 114.0467 57.1191 26.8071 176.2616 113 D 4.5666 7.4607 120.5286 53.2886 38.3199 175.6361 114 Y 4.3119 7.4133 121.0182 60.0795 38.4297 177.7662 115 V 3.6912 7.9001 119.3672 65.9442 31.8070 177.9228 116 S 4.1300 8.5282 114.9947 61.6695 62.6460 176.5346 117 R 3.8896 8.0472 121.3022 59.4557 29.7571 177.8946 118 D 4.3054 8.2273 117.6411 57.2881 41.2825 177.6468 119 L 3.9238 7.7720 120.6764 58.6440 42.0152 179.1980 120 L 4.0373 7.9399 118.4458 57.4781 41.4777 179.4741 121 K 4.0394 8.3077 119.9913 59.4613 32.1126 178.7153 122 D 4.3537 8.2103 119.3171 57.2813 40.6618 178.7364 123 I 3.4646 7.7661 120.3180 64.1582 37.0160 178.0280 124 L 3.9092 8.2553 121.5520 58.1792 41.8521 178.4809 125 E 3.8996 8.2456 119.0687 59.5259 29.5535 178.7587 126 S 4.2316 7.8571 112.4791 61.5680 62.4494 175.9787 127 E 4.0542 8.4680 121.6097 59.4674 29.1249 179.2360 128 E 4.0842 8.6061 119.0608 59.2149 29.3892 179.1460 129 E 4.0336 8.1815 118.9088 59.7622 29.4549 179.0120 130 H 4.3843 8.4388 116.2630 59.1060 28.7099 177.9764 131 I 3.7989 7.9065 121.6827 64.2648 36.8938 178.0354 132 D 4.3040 8.4246 119.1410 57.3008 41.0619 177.4856 133 Y 4.1315 8.3355 120.2899 60.7996 38.8188 178.2685 134 L 3.5405 8.0960 119.7082 57.8712 41.7851 179.4574 135 E 3.9511 8.2886 118.5078 59.5994 29.2743 179.6932 136 T 3.8338 7.7979 115.9294 66.5167 68.4852 176.8078 137 Q 3.7829 7.7854 119.9440 58.8981 28.8701 178.7642 138 L 3.8695 7.6935 120.0285 57.8505 41.6348 179.9798 139 G 3.6505 8.1363 105.4879 47.6389 0.0000 175.8185 140 L 4.0505 7.9002 121.3350 57.4491 41.6250 179.3093 141 I 3.5349 7.2895 119.9204 64.5682 36.7870 178.4091 142 Q 3.9694 7.3056 116.2357 58.9499 28.6165 178.7182 143 K 4.1626 7.8165 118.3809 58.5733 32.3220 178.9032 144 V 4.2337 8.3355 109.9029 59.8589 33.1843 176.7925 145 G 3.9818 7.9158 106.9472 45.6948 0.0000 174.2793 146 L 3.9374 8.6883 123.8917 58.1777 42.0970 179.2556 147 E 3.9816 8.1943 117.7495 59.6631 29.4055 178.9933 148 N 4.3335 8.1531 115.8034 56.3793 38.4268 176.6334 149 Y 3.9594 7.7403 119.5028 60.8205 39.2878 177.7776 150 L 4.0840 8.1447 119.8534 57.7576 41.5462 179.2788 151 Q 3.9177 8.0806 119.4451 59.3751 28.8568 178.3544 152 S 4.2906 8.0098 113.4462 60.0874 63.0549 174.5044 153 H 4.6590 7.6056 118.7822 55.7400 29.5994 176.1677 154 M 4.1241 7.8893 121.0300 57.7378 32.0050 176.0005 155 H 5.1543 7.6319 114.0163 54.0098 30.6385 174.9697 156 E 4.1298 8.6893 121.8605 56.7417 29.3542 176.7233 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 2 K 8.30 4.23 0.00 1.69 1.78 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.46 7.81 3 G 8.33 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.54 4.57 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.96 3.85 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.07 3.95 0.00 1.98 1.59 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.50 7.81 7 V 8.18 3.52 2.23 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 1.02 0.00 0.00 0.99 0.00 0.00 8 I 7.83 3.73 2.02 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 1.39 0.59 0.90 0.00 0.00 9 Q 7.97 3.98 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 10 H 8.28 4.11 0.00 3.35 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.40 3.99 0.00 1.80 1.74 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.65 4.36 0.00 2.80 2.85 0.00 0.00 6.67 6.52 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 13 K 7.99 3.94 0.00 1.89 2.00 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.05 3.72 1.88 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 1.42 0.52 0.92 0.00 0.00 15 L 8.21 4.03 0.00 1.81 1.84 0.92 1.00 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 16 G 8.02 3.58 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 0.00 0.00 0.00 17 N 8.18 4.38 0.00 3.03 2.89 0.00 0.00 6.98 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 18 E 8.38 3.98 0.00 2.13 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 2.60 2.53 0.00 19 L 8.21 4.08 0.00 1.78 1.68 0.93 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 20 I 7.58 3.65 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.88 0.00 0.00 21 A 7.70 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.92 3.59 1.97 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 1.54 0.80 0.88 0.00 0.00 23 N 7.76 4.40 0.00 2.74 2.84 0.00 0.00 6.74 7.30 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 24 Q 8.16 3.84 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 25 Y 7.84 4.71 0.00 3.10 3.11 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 26 F 8.48 3.83 0.00 3.33 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.11 3.96 0.00 1.84 1.74 0.88 1.07 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 28 H 8.20 3.86 0.00 3.46 2.89 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.63 4.39 0.00 4.00 3.92 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 30 R 7.86 3.83 0.00 1.96 1.88 0.00 2.96 0.00 0.00 2.56 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 31 M 8.33 3.46 0.00 0.74 1.56 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.13 0.00 32 W 8.11 4.57 0.00 3.72 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.51 4.38 0.00 2.87 2.86 0.00 0.00 6.66 8.23 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 34 D 8.00 4.33 0.00 2.57 2.60 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 35 W 7.73 4.94 0.00 3.68 3.15 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 36 G 8.31 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 37 L 8.04 4.78 0.00 2.04 1.64 1.26 0.74 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 38 K 8.48 4.16 0.00 2.08 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.94 3.99 0.00 1.83 1.91 0.00 3.27 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 40 L 7.73 3.70 0.00 1.30 0.13 0.52 0.19 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 41 G 8.15 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.98 4.02 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 43 H 8.18 3.90 0.00 3.25 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.50 3.97 0.00 2.56 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 0.00 2.81 2.69 0.00 45 Y 8.16 4.10 0.00 3.09 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 46 H 8.50 3.95 0.00 3.26 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.27 3.80 0.00 2.00 1.72 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 2.42 2.24 0.00 48 S 8.44 4.33 0.00 4.09 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 49 I 7.50 3.63 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.80 0.00 0.00 50 D 7.98 4.26 0.00 2.85 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 51 E 7.98 4.18 0.00 2.10 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 0.00 2.78 2.46 0.00 52 M 8.08 4.00 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 53 K 8.13 4.07 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 54 H 8.19 4.27 0.00 3.50 3.39 0.00 5.65 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 55 A 8.38 4.02 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 56 D 7.96 4.26 0.00 2.90 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 57 K 7.93 4.05 0.00 1.94 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 8.01 4.02 0.00 1.85 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.92 3.74 2.07 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 1.52 1.16 0.92 0.00 0.00 60 E 8.17 3.97 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 61 R 8.11 4.01 0.00 2.06 2.12 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.23 3.78 2.02 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 1.53 0.87 0.96 0.00 0.00 63 L 7.99 4.05 0.00 2.09 1.77 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.16 4.32 0.00 2.98 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.93 3.94 0.00 1.87 1.60 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.76 3.50 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 67 G 7.81 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 68 L 7.99 4.49 0.00 1.62 1.62 0.91 1.00 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 69 P 0.00 4.33 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.30 4.67 0.00 2.62 2.82 0.00 0.00 7.09 7.50 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 71 L 8.27 4.64 0.00 1.61 1.62 0.91 0.95 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 72 Q 8.33 4.09 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 D 8.08 4.73 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.32 4.55 0.00 1.51 1.52 0.92 1.06 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 75 G 8.37 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.37 4.28 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.51 7.81 77 L 8.40 4.08 0.00 1.63 1.55 0.88 0.99 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 78 L 8.60 4.36 0.00 1.78 1.68 0.96 0.69 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 79 I 8.02 4.25 1.88 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 1.33 0.78 0.90 0.00 0.00 80 G 8.70 3.92 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 0.00 0.00 0.00 81 E 8.68 4.71 0.00 2.17 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 2.53 2.23 0.00 82 N 7.62 4.99 0.00 2.85 2.85 0.00 0.00 5.99 7.22 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 83 T 8.44 4.41 5.32 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 1.64 0.00 0.00 84 Q 8.17 3.93 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 85 E 8.60 4.02 0.00 2.14 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 0.00 2.33 2.37 0.00 86 M 8.22 3.97 0.00 1.45 2.19 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.06 0.00 87 L 8.12 4.15 0.00 1.91 1.71 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.22 3.97 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 89 C 8.68 4.18 0.00 3.26 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 90 D 8.43 4.68 0.00 2.99 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 91 L 8.23 4.01 0.00 1.85 1.86 0.95 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 92 N 8.38 4.35 0.00 2.96 2.90 0.00 0.00 6.71 6.25 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 93 L 8.07 4.02 0.00 1.98 1.97 0.93 1.03 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 94 E 8.33 4.07 0.00 2.27 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 2.74 2.65 0.00 95 L 8.19 4.01 0.00 1.86 1.74 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.33 3.99 0.00 1.90 2.06 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.30 4.05 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 98 T 8.66 3.84 4.60 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 1.23 0.00 0.00 99 K 7.96 3.91 0.00 1.92 2.03 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 100 D 8.04 4.44 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.11 4.06 0.00 2.04 1.72 0.92 0.76 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 0.00 102 R 8.06 3.93 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 103 E 8.05 3.96 0.00 2.23 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 2.36 2.45 0.00 104 A 8.10 3.59 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 0.00 105 I 7.89 3.69 2.01 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 1.41 0.86 0.93 0.00 0.00 106 V 7.79 3.57 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 0.98 0.00 0.00 0.97 0.00 0.00 107 H 8.08 3.97 0.00 3.33 3.27 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.03 3.98 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.16 3.86 0.00 2.12 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 0.00 2.37 2.45 0.00 110 Q 7.79 3.92 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 111 V 7.30 3.97 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 0.81 0.00 0.00 0.88 0.00 0.00 112 H 7.57 3.12 0.00 3.19 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.46 4.57 0.00 2.69 2.46 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 0.00 114 Y 7.41 4.31 0.00 3.09 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 0.00 115 V 7.90 3.69 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 1.09 0.00 0.00 1.01 0.00 0.00 116 S 8.53 4.13 0.00 4.21 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 0.00 117 R 8.05 3.89 0.00 1.92 2.18 0.00 3.16 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 1.71 1.69 0.00 118 D 8.23 4.31 0.00 3.15 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 0.00 119 L 7.77 3.92 0.00 1.98 1.79 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.94 4.04 0.00 1.88 1.70 0.91 0.89 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 0.00 121 K 8.31 4.04 0.00 2.16 1.94 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.21 4.35 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.77 3.46 1.93 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 1.11 0.72 0.83 0.00 0.00 124 L 8.26 3.91 0.00 1.79 1.90 0.93 0.83 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 0.00 125 E 8.25 3.90 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 126 S 7.86 4.23 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.47 4.05 0.00 2.12 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 2.49 2.52 0.00 128 E 8.61 4.08 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 129 E 8.18 4.03 0.00 2.23 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 2.37 2.38 0.00 130 H 8.44 4.38 0.00 3.58 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.91 3.80 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.94 0.00 0.00 132 D 8.42 4.30 0.00 2.92 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 0.00 133 Y 8.34 4.13 0.00 3.13 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 0.00 134 L 8.10 3.54 0.00 1.99 1.64 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.29 3.95 0.00 1.98 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 2.31 2.56 0.00 136 T 7.80 3.83 4.35 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 1.20 0.00 0.00 137 Q 7.79 3.78 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 1.18 2.11 0.00 138 L 7.69 3.87 0.00 1.90 1.62 0.88 1.00 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 0.00 139 G 8.14 3.65 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 0.00 0.00 0.00 140 L 7.90 4.05 0.00 1.81 1.86 1.04 0.70 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 0.00 141 I 7.29 3.53 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.19 0.80 0.00 0.00 142 Q 7.31 3.97 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 7.82 4.16 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 144 V 8.34 4.23 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 0.79 0.00 0.00 1.11 0.00 0.00 145 G 7.92 3.98 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 0.00 0.00 0.00 146 L 8.69 3.94 0.00 1.75 1.69 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.19 3.98 0.00 2.05 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 2.40 2.41 0.00 148 N 8.15 4.33 0.00 3.06 2.89 0.00 0.00 6.71 7.48 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 0.00 149 Y 7.74 3.96 0.00 3.05 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 0.00 150 L 8.14 4.08 0.00 1.90 1.73 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.08 3.92 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 152 S 8.01 4.29 0.00 3.75 3.65 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 0.00 153 H 7.61 4.66 0.00 2.90 3.01 0.00 5.81 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 0.00 154 M 7.89 4.12 0.00 1.76 2.04 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 155 H 7.63 5.15 0.00 3.09 3.16 0.00 5.72 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 0.00 156 E 8.69 4.13 0.00 1.94 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 2.29 2.29 0.00