NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0943 8.0544 120.3024 61.5969 32.7425 174.2220 2 K 4.3933 8.1199 121.0025 54.5580 35.2418 173.7569 3 L 4.7478 8.0331 124.2544 53.2528 44.3276 176.9509 4 S 4.4498 8.8476 118.1127 57.7430 65.3708 175.0709 5 E 3.9535 8.6068 121.3200 59.5670 29.2980 178.3079 6 D 4.4123 8.0020 118.4990 57.4371 40.9808 178.6015 7 Q 4.1046 7.8886 118.3808 58.9783 28.7205 178.5555 8 E 3.9556 8.3494 119.7302 59.5185 29.4786 178.8656 9 H 4.1381 8.1751 117.9074 59.3204 29.8650 176.7117 10 Y 4.0491 8.0178 121.1595 60.8185 38.6912 178.0746 11 I 3.3651 7.7064 120.6891 64.2645 37.1911 178.6643 12 K 4.0662 8.0286 119.4855 59.1604 31.6853 179.7221 13 G 3.4805 7.9001 106.1465 47.7060 0.0000 175.9655 14 V 3.5448 7.7042 121.2499 65.4509 31.3263 177.9840 15 W 4.3218 8.0621 126.8032 60.1832 30.5252 177.6055 16 K 4.1448 7.7311 117.1903 58.4190 31.6546 178.3902 17 D 4.4891 7.5429 117.7607 56.1440 41.6565 177.1978 18 V 3.6917 7.2502 111.1874 60.6092 32.5808 176.4059 19 D 4.3302 8.1697 120.9435 53.5949 41.2793 176.3540 20 H 3.6126 8.1456 124.3100 59.2245 28.6616 177.3977 21 K 4.0093 7.9235 118.9347 59.6287 32.1054 179.1740 22 Q 3.8977 8.1233 119.3061 59.2174 29.0208 177.9773 23 I 3.5612 7.7310 119.6877 64.1446 37.9692 178.0915 24 T 3.8478 7.9079 116.2143 66.5004 68.3607 176.5550 25 A 3.9973 8.3100 123.0860 55.2218 18.4133 179.9101 26 K 3.9075 8.0799 116.7086 59.2389 32.0364 179.5561 27 A 3.8341 7.6510 121.3751 54.9205 18.2583 179.7247 28 L 3.4650 7.8797 117.5885 57.6199 41.5099 179.2399 29 E 4.0920 8.0149 119.2807 59.2726 29.4824 178.9139 30 R 3.8004 7.8646 118.9784 59.2863 30.0681 178.8616 31 V 3.6213 7.6359 119.0354 64.8981 30.8054 178.3996 32 F 4.3042 7.6042 118.3144 59.9206 38.4053 177.7220 33 V 3.6378 7.2012 117.1259 65.6029 31.6530 178.0166 34 V 3.4998 7.6603 117.0545 64.4530 32.6699 175.6321 35 Y 3.7557 7.3357 117.0024 53.7462 38.1075 173.8063 36 P 4.2867 0.0000 0.0000 64.6359 31.7416 177.5498 37 W 4.4230 8.0612 114.5723 59.2798 27.7273 177.8868 38 T 4.1922 7.4918 110.2771 64.1917 68.5412 175.9361 39 T 3.7688 7.8203 112.2834 63.0862 68.6402 176.3049 40 R 3.8617 7.4517 122.2287 59.7648 29.9610 176.9035 41 L 4.3154 7.8380 113.3954 55.0192 41.9760 177.6441 42 F 4.7535 8.0201 120.3686 56.7136 38.0842 177.3537 43 S 4.3092 7.7390 119.1342 61.3849 63.5676 177.6178 44 K 4.0053 8.1279 118.6471 59.2125 32.0696 177.6766 45 L 4.1204 7.9913 116.5702 55.1646 41.9413 176.7686 46 Q 3.1315 8.8800 117.8829 56.9117 26.6630 175.1027 47 G 3.2716 7.7316 102.6977 45.5199 0.0000 173.8065 48 L 4.1019 7.2277 120.4405 53.3041 41.0765 175.7815 49 F 5.0025 8.0849 120.6180 57.0863 39.6705 176.2238 50 S 4.5644 8.4196 116.3026 57.0122 63.1506 174.9690 51 A 4.0350 8.6795 127.9922 55.1699 18.1449 178.5216 52 N 4.7216 7.9913 110.3318 53.6187 39.1931 175.3253 53 D 4.6593 7.8731 120.1935 53.4982 43.0152 177.2552 54 I 3.8057 8.4437 124.4991 64.4714 37.1769 178.9478 55 G 3.6292 8.0194 105.8872 47.9325 0.0000 175.6591 56 V 3.7321 7.8277 120.9237 65.6706 31.6780 177.8347 57 Q 4.0433 8.2949 117.7635 59.2321 28.3980 178.9816 58 Q 4.0660 8.2978 119.0193 59.1506 28.7417 178.3074 59 H 4.2176 8.5121 119.2035 59.1526 29.8986 177.1401 60 A 4.0948 8.6852 123.0281 55.2717 17.9636 179.1281 61 D 4.3245 8.1446 116.3190 57.2528 41.1764 178.7480 62 K 4.0263 7.6407 117.8215 59.3829 32.1145 179.5158 63 V 3.6687 7.9062 118.7643 66.0903 31.5088 178.0843 64 Q 4.4278 8.5498 117.6214 59.4100 28.4276 178.5243 65 R 4.0445 8.0264 120.5336 59.0821 30.2164 178.4063 66 A 4.6013 7.8719 121.7390 54.7729 18.3572 179.5505 67 L 4.0438 8.1501 117.7375 57.9217 41.6373 180.0631 68 G 3.4735 8.3071 105.6444 47.8081 0.0000 175.6671 69 E 4.0705 8.2533 120.5974 58.8609 29.2622 179.4178 70 A 3.7467 7.8078 120.8108 55.2019 18.2796 179.7506 71 I 3.4885 7.4589 117.0882 64.5372 37.0890 178.1764 72 D 4.5720 7.8789 119.0735 56.2056 42.1739 176.5798 73 D 4.7080 7.7369 118.2213 52.2586 41.4731 175.4134 74 L 4.1038 7.8608 120.9577 56.6439 42.3313 178.8447 75 K 4.1016 7.8937 117.0690 57.8902 32.5803 177.9400 76 K 4.4448 7.8234 118.4015 55.9927 32.3387 177.8854 77 V 3.1535 7.4673 118.6382 65.6174 31.1713 177.1860 78 E 3.8362 7.9464 116.9055 59.5431 29.5309 178.5047 79 I 3.9083 7.5685 119.0865 64.5068 37.1128 178.0698 80 N 4.4834 8.3624 116.5304 55.7072 38.5777 176.4843 81 F 4.7107 8.5170 117.9421 57.4344 39.1365 177.3615 82 Q 4.0469 7.8458 120.2370 59.3414 28.5795 178.6832 83 N 4.2783 8.1260 116.4172 56.4981 38.7205 177.0776 84 L 3.9979 7.8601 120.9884 58.0304 42.1026 178.8530 85 S 4.3184 8.5767 113.7243 61.4603 62.4424 176.3928 86 G 3.5642 8.1252 108.4614 47.5749 0.0000 175.3890 87 K 3.8810 8.4951 122.3797 59.8111 32.1770 178.6581 88 H 4.2917 8.3717 116.4384 58.6767 28.6309 177.6378 89 Q 3.4684 7.7041 121.0905 58.7326 28.5090 177.5842 90 E 3.8084 7.8168 119.2721 59.6531 29.7295 178.8058 91 I 3.8507 7.2750 117.6799 62.7395 37.0496 177.1482 92 G 4.0943 7.7567 107.7119 45.2070 0.0000 173.3636 93 V 3.9754 7.4734 119.2513 60.1080 32.5689 175.5665 94 D 4.4413 8.6392 123.9032 53.9460 41.8186 176.7668 95 T 3.2528 8.4593 117.1646 65.0575 68.2093 176.0380 96 Q 3.9489 7.7257 120.2463 58.5554 29.0719 177.7727 97 N 4.2817 7.9339 117.9587 56.2570 38.5121 177.0528 98 F 4.5210 7.2958 119.3933 60.7012 38.9583 177.8544 99 K 4.0973 7.9666 118.2548 59.2903 31.7961 179.4650 100 L 3.8489 7.6467 118.9908 57.6143 41.5502 179.1220 101 L 4.1277 8.0492 120.3097 57.9687 42.1468 179.1655 102 G 3.1509 7.9772 105.3937 47.5162 0.0000 175.5287 103 Q 4.0533 8.0377 122.0887 59.3055 29.2333 178.4299 104 T 3.9686 7.9986 110.7100 64.4678 68.7677 176.3945 105 F 3.7784 8.1181 123.9478 61.3868 39.4147 177.1125 106 M 4.3150 8.0251 117.9872 58.0664 31.6486 178.9797 107 V 3.6105 7.6034 118.3926 66.0013 31.8456 177.9866 108 E 3.8536 8.0540 118.2882 59.1901 29.1106 179.3600 109 L 4.0000 7.8840 119.0312 57.5682 41.5801 179.3551 110 A 3.7061 7.5329 120.7057 55.0821 18.1069 179.7544 111 L 3.9054 7.8298 116.6273 57.8075 41.6638 179.0925 112 H 4.1253 7.7545 117.1491 59.2449 30.2695 176.3974 113 Y 4.4081 8.3493 117.0815 56.7397 38.4233 177.4616 114 K 3.7607 8.9277 120.0137 57.0013 32.3713 179.1786 115 K 4.0339 9.0117 127.9914 60.0798 31.6671 177.2926 116 T 4.2547 7.9295 107.5412 62.4605 69.4976 175.4911 117 F 4.6126 8.1565 127.2211 57.3184 37.7809 175.2035 118 R 4.3114 8.1185 124.7308 53.8870 32.8618 174.9149 119 P 4.1018 0.0000 0.0000 66.1878 31.1065 179.0233 120 K 3.8506 7.7934 116.3437 59.3788 32.0105 179.1890 121 E 3.1130 7.5807 118.3004 59.2652 29.3329 178.5594 122 H 3.7107 7.7292 118.3350 59.1695 29.8344 177.1683 123 A 3.9986 8.2374 122.6179 54.9616 18.2278 179.5343 124 A 4.0095 7.8051 118.9139 55.1762 18.4250 179.7628 125 A 4.2514 8.4526 119.3650 55.6632 18.6468 179.1124 126 Y 4.2560 8.6967 118.5051 60.9902 38.8198 178.3753 127 K 3.9305 8.4245 120.5186 59.2644 32.2441 178.6696 128 F 4.0526 8.1222 120.8582 61.3722 39.3068 177.2952 129 F 3.7339 8.2596 117.0858 59.8524 38.6031 177.6618 130 R 3.6919 7.7626 118.8679 58.8534 29.7628 178.1977 131 L 3.7916 7.3197 120.0604 57.8060 42.1272 179.1162 132 V 3.1460 7.1813 118.0375 65.6994 31.2704 177.8375 133 A 3.9167 8.0137 120.7630 55.1709 18.2090 179.4775 134 E 3.8304 8.0771 116.8235 59.5666 29.3365 179.5322 135 A 3.9923 7.5996 119.5119 54.8981 18.4400 179.2327 136 L 3.9941 7.5173 116.3055 56.8703 42.0515 178.7231 137 S 4.3159 7.7360 114.5245 59.2406 63.0791 176.4288 138 S 4.1009 7.8594 116.3629 61.4182 62.6018 174.8335 139 N 4.8084 7.8687 117.3538 53.2093 38.4530 173.9059 140 Y 4.2675 7.9934 115.3182 57.7015 38.3737 175.5859 141 H 4.5771 9.3102 120.3217 55.7316 28.8700 174.9757 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 V 8.05 4.09 2.15 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 0.85 0.00 0.00 0.90 0.00 0.00 2 K 8.12 4.39 0.00 1.71 1.64 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.56 7.81 3 L 8.03 4.75 0.00 1.65 1.58 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.85 4.45 0.00 4.04 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 5 E 8.61 3.95 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 2.37 2.41 0.00 6 D 8.00 4.41 0.00 2.81 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 7 Q 7.89 4.10 0.00 2.26 2.20 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 2.40 2.41 0.00 8 E 8.35 3.96 0.00 2.03 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 2.32 2.63 0.00 9 H 8.18 4.14 0.00 3.30 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.02 4.05 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 11 I 7.71 3.37 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.78 -0.01 0.00 0.00 12 K 8.03 4.07 0.00 1.74 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.55 7.81 13 G 7.90 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.70 3.54 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 1.27 0.00 0.00 0.13 0.00 0.00 15 W 8.06 4.32 0.00 3.35 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 16 K 7.73 4.14 0.00 1.96 1.85 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.58 7.81 17 D 7.54 4.49 0.00 2.81 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 18 V 7.25 3.69 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 0.62 0.00 0.00 0.98 0.00 0.00 19 D 8.17 4.33 0.00 2.58 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 20 H 8.15 3.61 0.00 3.00 3.24 0.00 5.68 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 21 K 7.92 4.01 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.53 7.81 22 Q 8.12 3.90 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 23 I 7.73 3.56 1.74 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 0.98 0.93 1.07 0.00 0.00 24 T 7.91 3.85 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 1.46 0.00 0.00 25 A 8.31 4.00 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 26 K 8.08 3.91 0.00 1.80 1.90 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.60 7.81 27 A 7.65 3.83 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 28 L 7.88 3.47 0.00 1.68 1.18 0.96 0.53 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 29 E 8.01 4.09 0.00 2.12 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 0.00 2.30 2.51 0.00 30 R 7.86 3.80 0.00 1.94 1.94 0.00 3.22 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 31 V 7.64 3.62 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 0.47 0.00 0.00 1.01 0.00 0.00 32 F 7.60 4.30 0.00 3.13 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 33 V 7.20 3.64 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 0.73 0.00 0.00 1.00 0.00 0.00 34 V 7.66 3.50 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 -0.09 0.00 0.00 0.73 0.00 0.00 35 Y 7.34 3.76 0.00 2.54 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 4.29 0.00 2.23 2.12 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 37 W 8.06 4.42 0.00 3.56 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 38 T 7.49 4.19 4.44 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 1.05 0.00 0.00 39 T 7.82 3.77 3.21 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 0.11 0.00 0.00 40 R 7.45 3.86 0.00 1.93 2.11 0.00 3.28 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 41 L 7.84 4.32 0.00 1.41 1.49 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.02 4.75 0.00 3.18 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 43 S 7.74 4.31 0.00 3.90 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 44 K 8.13 4.01 0.00 1.83 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 45 L 7.99 4.12 0.00 1.93 1.71 0.96 1.04 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 46 Q 8.88 3.13 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 47 G 7.73 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.23 4.10 0.00 1.50 1.70 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.08 5.00 0.00 3.04 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 50 S 8.42 4.56 0.00 3.88 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 51 A 8.68 4.03 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 52 N 7.99 4.72 0.00 2.71 2.85 0.00 0.00 6.93 8.06 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 53 D 7.87 4.66 0.00 2.86 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 54 I 8.44 3.81 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 1.56 1.04 0.92 0.00 0.00 55 G 8.02 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 56 V 7.83 3.73 2.35 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 0.99 0.00 0.00 1.12 0.00 0.00 57 Q 8.29 4.04 0.00 2.31 2.16 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 2.63 2.56 0.00 58 Q 8.30 4.07 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 59 H 8.51 4.22 0.00 3.49 3.47 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 60 A 8.69 4.09 1.47 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 61 D 8.14 4.32 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.64 4.03 0.00 1.95 1.82 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.63 7.81 63 V 7.91 3.67 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 1.24 0.00 0.00 1.09 0.00 0.00 64 Q 8.55 4.43 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.75 0.00 65 R 8.03 4.04 0.00 2.10 2.20 0.00 3.15 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 66 A 7.87 4.60 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.15 4.04 0.00 1.73 1.22 0.93 0.79 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 68 G 8.31 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 69 E 8.25 4.07 0.00 2.39 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 2.39 2.55 0.00 70 A 7.81 3.75 1.10 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 0.00 0.00 71 I 7.46 3.49 1.54 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.24 0.63 0.00 0.00 72 D 7.88 4.57 0.00 2.79 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 73 D 7.74 4.71 0.00 2.53 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 74 L 7.86 4.10 0.00 1.62 1.67 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.89 4.10 0.00 1.70 1.82 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.38 7.81 76 K 7.82 4.44 0.00 1.78 1.86 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 77 V 7.47 3.15 1.75 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 0.10 0.00 0.00 0.71 0.00 0.00 78 E 7.95 3.84 0.00 1.91 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 2.28 2.39 0.00 79 I 7.57 3.91 1.97 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 1.63 0.53 0.98 0.00 0.00 80 N 8.36 4.48 0.00 2.87 3.03 0.00 0.00 7.07 7.53 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 81 F 8.52 4.71 0.00 3.06 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 0.00 82 Q 7.85 4.05 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 83 N 8.13 4.28 0.00 2.81 2.85 0.00 0.00 6.63 6.74 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 84 L 7.86 4.00 0.00 1.52 1.51 0.85 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.58 4.32 0.00 4.18 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 86 G 8.13 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 0.00 0.00 0.00 0.00 87 K 8.50 3.88 0.00 1.94 1.90 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.59 7.81 88 H 8.37 4.29 0.00 3.82 3.73 0.00 5.87 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 89 Q 7.70 3.47 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 1.98 1.78 0.00 90 E 7.82 3.81 0.00 1.93 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 2.28 2.33 0.00 91 I 7.28 3.85 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.80 0.00 0.00 92 G 7.76 4.09 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 0.00 0.00 0.00 93 V 7.47 3.98 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 0.84 0.00 0.00 0.78 0.00 0.00 94 D 8.64 4.44 0.00 2.75 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 95 T 8.46 3.25 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 96 Q 7.73 3.95 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 97 N 7.93 4.28 0.00 2.55 2.78 0.00 0.00 6.83 7.86 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 98 F 7.30 4.52 0.00 3.07 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 99 K 7.97 4.10 0.00 1.94 1.88 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 100 L 7.65 3.85 0.00 1.68 1.21 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.05 4.13 0.00 1.88 1.77 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.98 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 0.00 0.00 0.00 103 Q 8.04 4.05 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 104 T 8.00 3.97 4.18 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 1.27 0.00 0.00 105 F 8.12 3.78 0.00 3.04 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 0.00 106 M 8.03 4.32 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.01 0.00 107 V 7.60 3.61 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 1.07 0.00 0.00 1.00 0.00 0.00 108 E 8.05 3.85 0.00 1.93 1.76 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 2.35 2.23 0.00 109 L 7.88 4.00 0.00 1.85 1.03 1.23 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.53 3.71 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 0.00 111 L 7.83 3.91 0.00 1.70 1.69 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.75 4.13 0.00 3.07 3.13 0.00 5.74 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 0.00 113 Y 8.35 4.41 0.00 3.26 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 0.00 114 K 8.93 3.76 0.00 1.93 1.04 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.54 7.81 115 K 9.01 4.03 0.00 1.78 1.93 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.54 7.81 116 T 7.93 4.25 4.34 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 1.31 0.00 0.00 117 F 8.16 4.61 0.00 3.10 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 0.00 118 R 8.12 4.31 0.00 1.95 1.77 0.00 3.20 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 119 P 0.00 4.10 0.00 2.07 2.06 0.00 3.53 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 120 K 7.79 3.85 0.00 1.60 1.70 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.40 7.81 121 E 7.58 3.11 0.00 1.65 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.47 0.00 122 H 7.73 3.71 0.00 2.48 3.17 0.00 5.61 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 0.00 123 A 8.24 4.00 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 0.00 124 A 7.81 4.01 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 0.00 125 A 8.45 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.70 4.26 0.00 3.25 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 0.00 127 K 8.42 3.93 0.00 2.23 1.97 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 128 F 8.12 4.05 0.00 3.03 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 0.00 129 F 8.26 3.73 0.00 3.07 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 0.00 130 R 7.76 3.69 0.00 1.42 1.80 0.00 3.06 0.00 0.00 2.79 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 131 L 7.32 3.79 0.00 1.67 1.53 0.86 0.93 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 0.00 132 V 7.18 3.15 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 0.84 0.00 0.00 -0.06 0.00 0.00 133 A 8.01 3.92 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 0.00 134 E 8.08 3.83 0.00 2.11 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 2.27 2.44 0.00 135 A 7.60 3.99 1.17 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 0.00 0.00 136 L 7.52 3.99 0.00 0.55 0.13 0.32 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.74 4.32 0.00 3.76 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 0.00 138 S 7.86 4.10 0.00 4.01 4.14 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 0.00 139 N 7.87 4.81 0.00 2.72 2.92 0.00 0.00 7.33 7.56 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 0.00 140 Y 7.99 4.27 0.00 3.16 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 0.00 141 H 9.31 4.58 0.00 3.16 3.30 0.00 5.78 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