NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4541 8.3049 120.3291 54.8832 33.4847 174.3052 2 E 3.9338 8.3464 119.1294 55.2494 30.1045 175.4793 3 A 4.0076 9.3705 126.6979 52.8930 19.6823 177.6651 4 L 4.0086 8.5053 122.1390 55.8172 42.0215 177.6466 5 G 3.7618 8.9645 105.3015 45.9616 0.0000 172.8062 6 A 4.5007 7.4725 116.2357 51.0088 21.9191 176.4428 7 D 4.7327 8.5353 121.6226 53.3819 42.5238 175.7890 8 V 4.5707 8.4204 122.7868 61.4294 34.2520 175.1847 9 T 4.4513 7.7990 122.0717 61.6581 68.8684 174.1250 10 Q 3.8959 8.7035 124.8612 56.7200 29.1018 177.5435 11 G 4.1444 8.8380 108.5844 45.8904 0.0000 172.4871 12 L 5.1074 8.3030 120.1306 52.8281 46.1072 175.2121 13 E 5.1558 8.8803 119.2480 53.9218 34.4202 175.3299 14 K 3.9762 8.3588 122.8803 58.2405 32.4378 177.2197 15 G 4.0111 8.8469 115.3456 45.0041 0.0000 173.8342 16 S 4.3225 8.1753 116.9496 58.4865 64.1716 173.2550 17 L 5.1171 8.4468 124.1392 53.4730 42.7400 175.7259 18 I 4.6949 8.7297 117.2712 58.9641 41.7836 174.5560 19 T 4.5147 8.4924 118.9982 63.4462 69.7929 174.2906 20 C 4.7461 8.6828 126.8356 57.4280 31.3411 174.0056 21 A 4.5235 8.4268 134.7394 49.8503 16.2027 174.5839 22 D 5.2863 7.5650 119.3091 53.6132 42.3422 175.5809 23 N 5.0419 8.3895 115.2824 52.8441 37.6261 176.0036 24 T 3.9522 8.4489 111.7501 64.2315 69.5166 175.0580 25 G 3.8968 8.2418 108.1060 45.1155 0.0000 172.7114 26 A 4.7594 7.5177 123.8722 51.1362 20.1963 176.8333 27 R 4.3338 9.0067 123.0039 57.8656 31.8704 176.1213 28 E 5.0749 8.0593 119.2464 54.2150 32.5254 174.2022 29 L 5.1495 9.0573 126.3993 52.7537 45.4873 175.2100 30 K 4.9088 8.8400 124.4307 54.2783 34.4120 175.5097 31 V 3.9552 8.6191 128.4985 63.6134 31.9971 176.3073 32 I 4.3439 8.4688 126.9869 62.6693 39.9640 175.6224 33 S 4.6349 7.7008 114.8359 57.6659 67.6971 173.8729 34 V 4.6062 8.1169 121.0242 61.0005 33.6948 174.4536 35 H 4.0523 9.2176 128.7191 57.8012 30.1173 174.7418 36 G 3.9417 8.5384 112.8726 46.3407 0.0000 172.0900 37 Y 4.7762 7.6637 119.7819 55.2965 40.6712 175.2944 38 S 4.4298 7.2972 119.6705 56.5645 66.9243 172.6203 39 G 4.0997 7.7329 115.5654 44.7955 0.0000 175.2755 40 T 4.3562 8.3328 118.0348 60.0450 69.7932 171.8371 41 K 3.9206 8.5571 125.5273 58.3601 32.2592 177.1659 42 N 4.4719 8.9418 121.0542 53.8955 37.5209 174.4877 43 R 4.0772 7.8161 118.9433 55.8811 30.6304 175.4832 44 H 4.5061 8.7355 123.2895 54.6202 29.3663 173.2878 45 P 4.5904 0.0000 0.0000 63.6132 31.6835 175.1784 46 K 5.0947 7.9838 122.4216 55.0365 35.0864 175.2087 47 A 4.7292 9.1280 123.0418 50.8701 23.3540 175.9396 48 G 4.3450 9.0967 107.1210 44.4497 0.0000 171.8388 49 L 4.1104 8.6251 119.4507 56.8603 41.8185 178.2652 50 G 4.0837 8.9984 111.1364 45.5792 0.0000 172.9169 51 D 4.9000 7.8604 119.7754 53.0838 43.1495 175.3076 52 K 4.8202 8.6266 123.2392 55.1084 33.8939 175.2028 53 I 4.9962 8.2685 120.2656 59.4089 41.2284 174.4885 54 T 4.8007 8.6509 120.2344 62.7190 70.3655 174.2086 55 V 5.1200 9.2192 124.7336 61.3752 36.1217 173.7462 56 S 5.1109 8.7668 117.2620 56.3287 66.6072 173.2747 57 V 4.2721 8.2709 122.4609 63.1311 31.7099 176.4725 58 T 4.1735 8.8359 125.6847 65.2937 69.4048 175.6497 59 K 4.5440 8.7911 119.0717 54.7033 36.2773 177.4082 60 G 3.5108 8.6234 109.1204 44.5936 0.0000 172.6163 61 T 3.9627 8.1588 111.5109 61.0675 69.1936 173.3047 62 P 4.1952 0.0000 0.0000 66.2059 31.1675 178.5730 63 E 3.9161 8.0618 115.3441 59.3637 29.6835 178.6497 64 M 4.1947 8.4317 119.2240 56.7740 32.3584 177.1297 65 R 4.0121 6.7657 116.9563 57.7562 30.6539 177.4508 66 R 4.0079 8.4795 118.9115 56.5481 29.3728 176.7218 67 Q 4.1947 7.6632 117.8292 55.6675 30.1689 175.4396 68 V 4.3546 8.3300 123.3522 61.8659 32.5006 174.2236 69 L 4.9543 8.7084 128.6769 52.9209 45.8888 174.9008 70 E 5.1357 8.4633 118.7189 55.3265 33.0909 174.6037 71 A 4.8959 8.3144 124.5839 51.2865 23.7054 174.9270 72 V 4.5626 8.1483 117.2911 61.0842 35.2211 174.9235 73 V 4.1582 8.4074 127.7939 63.0708 31.8391 176.1567 74 V 4.0112 8.9565 129.1943 64.0022 33.4182 175.6315 75 R 4.1182 7.4214 117.7207 54.5394 34.6999 174.0440 76 Q 4.8960 8.0118 118.5676 54.9472 31.7816 175.9413 77 R 4.4494 9.1334 119.6542 58.2872 30.5189 177.5973 78 K 4.2607 7.8744 118.8055 55.3311 32.9720 175.2944 79 P 4.8966 0.0000 0.0000 63.1228 32.7910 175.0211 80 I 4.9222 8.3939 113.4910 59.3741 41.7153 173.7372 81 R 4.9505 8.8840 124.5816 55.0134 31.8740 175.5271 82 R 4.7344 8.7547 125.3740 54.2702 31.8936 175.7897 83 P 4.0161 0.0000 0.0000 66.0696 31.4138 177.0546 84 D 4.5728 8.0275 114.2466 53.3912 39.4535 176.8987 85 G 4.0220 8.7733 110.3647 45.8471 0.0000 174.6029 86 T 4.1262 7.7324 115.9693 63.8219 69.5680 173.8960 87 R 5.0994 8.4017 122.5998 54.8779 32.8895 175.9222 88 V 4.5072 8.7306 121.0837 61.1284 34.8048 174.3562 89 K 4.9840 8.4226 125.5341 55.3636 35.9560 175.2881 90 F 4.7048 8.9714 120.1112 55.6541 41.6683 176.5621 91 E 4.0082 9.0176 120.4105 58.8994 29.6841 175.1031 92 D 4.7868 7.7596 115.6253 52.5605 42.8966 173.6220 93 N 5.1710 8.7217 114.6963 51.7405 41.1031 174.1798 94 A 5.2597 9.1161 124.0283 50.5882 23.3197 174.6351 95 A 5.0308 9.2143 120.9224 50.3131 23.7567 175.1972 96 V 4.4895 8.5512 119.1045 60.6519 34.5090 175.1334 97 I 4.2648 8.3815 129.4248 61.9269 37.8856 175.5937 98 V 4.8900 8.5527 126.1850 60.1143 34.8610 174.6924 99 D 5.0544 7.8430 120.2628 51.5987 41.8392 176.2431 100 E 3.9086 8.8740 117.1650 60.0764 29.3579 177.8598 101 N 4.5678 8.9189 113.3108 53.2162 38.9508 175.3314 102 E 3.7911 8.2886 116.9932 56.9748 27.0725 173.5336 103 D 5.0184 8.2493 118.4773 51.0770 41.7707 174.2963 104 P 4.5020 0.0000 0.0000 63.2850 31.3639 177.3275 105 R 3.9523 8.6773 123.1086 58.4372 30.1855 176.5029 106 G 4.0314 7.1558 106.8579 44.6132 0.0000 173.0180 107 T 4.3672 8.5000 114.0224 64.1296 70.0616 175.3201 108 E 4.7962 8.9380 120.0648 54.3626 33.8265 174.9045 109 L 5.0286 8.4788 122.8464 53.2257 43.3372 176.0277 110 K 4.2114 8.3218 124.3471 56.5339 32.9296 178.3013 111 G 3.9992 8.9611 110.0836 44.1814 0.0000 170.4789 112 P 4.8617 0.0000 0.0000 62.9750 32.4519 175.5113 113 I 4.7625 8.2867 119.1815 59.4715 42.1176 174.8697 114 A 4.6739 8.2136 126.5999 51.6642 19.2338 179.0228 115 R 3.9097 8.9443 118.6126 59.6605 29.1655 179.1262 116 E 4.0863 8.3163 118.5674 59.0652 29.3355 179.3000 117 V 3.4609 7.8707 117.6978 65.2853 31.4671 177.9161 118 A 4.0011 8.2761 121.4005 55.2761 18.1505 179.3249 119 Q 4.0913 7.2456 112.5444 57.5329 28.8719 177.4115 120 R 4.0550 7.7973 117.5982 56.8936 32.5993 175.9918 121 F 4.8842 7.7640 118.4770 54.3660 39.0427 175.6399 122 G 3.7909 8.3641 111.1592 48.1012 0.0000 172.1925 123 S 4.2859 8.1232 117.8732 60.0720 62.6323 176.8260 124 V 3.5861 7.8412 121.0951 65.6293 31.4348 177.7272 125 A 4.0550 8.1966 120.8975 55.1361 18.1766 179.6318 126 S 4.3765 8.7693 109.0737 59.2615 62.4950 174.8824 127 A 4.6896 7.5513 122.1821 51.8083 19.9379 176.8614 128 A 4.2953 8.2113 120.0053 52.2392 19.3241 178.2528 129 T 4.1670 8.5443 118.7953 66.1460 69.2189 175.0521 130 M 4.8671 7.8313 119.9462 53.4297 35.6800 174.5724 131 I 4.7760 8.3580 122.7658 59.6230 40.2891 175.5592 132 V 3.9779 8.6749 126.8378 62.9168 30.9929 175.6488 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 4.45 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 E 8.35 3.93 0.00 1.94 1.80 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 2.27 2.33 0.00 3 A 9.37 4.01 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 4 L 8.51 4.01 0.00 1.64 1.74 0.97 0.95 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 5 G 8.96 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 6 A 7.47 4.50 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 7 D 8.54 4.73 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.42 4.57 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 0.83 0.00 0.00 0.95 0.00 0.00 9 T 7.80 4.45 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 1.22 0.00 0.00 10 Q 8.70 3.90 0.00 1.87 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 11 G 8.84 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 0.00 0.00 0.00 12 L 8.30 5.11 0.00 1.64 1.49 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.88 5.16 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 14 K 8.36 3.98 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.51 7.81 15 G 8.85 4.01 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 0.00 0.00 0.00 16 S 8.18 4.32 0.00 3.80 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 17 L 8.45 5.12 0.00 1.51 1.60 0.94 0.77 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 18 I 8.73 4.69 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.89 0.00 0.00 19 T 8.49 4.51 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 1.20 0.00 0.00 20 C 8.68 4.75 0.00 2.98 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 21 A 8.43 4.52 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 22 D 7.57 5.29 0.00 2.79 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 23 N 8.39 5.04 0.00 2.81 2.90 0.00 0.00 5.96 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.45 3.95 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 1.30 0.00 0.00 25 G 8.24 3.90 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 0.00 0.00 0.00 26 A 7.52 4.76 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 0.00 0.00 0.00 0.00 0.00 27 R 9.01 4.33 0.00 1.75 1.96 0.00 3.07 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.06 5.07 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 29 L 9.06 5.15 0.00 1.53 1.48 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.84 4.91 0.00 1.76 1.75 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.62 3.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 32 I 8.47 4.34 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.91 0.00 0.00 33 S 7.70 4.63 0.00 3.75 3.74 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 0.00 0.00 0.00 34 V 8.12 4.61 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 0.94 0.00 0.00 0.81 0.00 0.00 35 H 9.22 4.05 0.00 3.16 3.37 0.00 6.15 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.54 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.66 4.78 0.00 2.84 3.02 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 38 S 7.30 4.43 0.00 3.79 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.73 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 0.00 0.00 0.00 40 T 8.33 4.36 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 1.23 0.00 0.00 41 K 8.56 3.92 0.00 1.75 1.75 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.94 4.47 0.00 2.94 2.99 0.00 0.00 7.02 7.66 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 43 R 7.82 4.08 0.00 1.82 2.06 0.00 3.37 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 44 H 8.74 4.51 0.00 3.32 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.59 0.00 2.14 2.45 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 46 K 7.98 5.09 0.00 1.71 1.74 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.08 1.13 7.81 47 A 9.13 4.73 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 48 G 9.10 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 0.00 0.00 0.00 0.00 49 L 8.63 4.11 0.00 1.61 1.67 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.86 4.90 0.00 2.78 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 52 K 8.63 4.82 0.00 1.83 1.68 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.49 7.81 53 I 8.27 5.00 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.88 0.00 0.00 54 T 8.65 4.80 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 1.26 0.00 0.00 55 V 9.22 5.12 2.05 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 1.13 0.00 0.00 0.89 0.00 0.00 56 S 8.77 5.11 0.00 3.88 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 57 V 8.27 4.27 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 0.93 0.00 0.00 0.91 0.00 0.00 58 T 8.84 4.17 4.23 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 1.33 0.00 0.00 59 K 8.79 4.54 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 60 G 8.62 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.96 4.23 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 1.24 0.00 0.00 62 P 0.00 4.20 0.00 2.17 2.17 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 63 E 8.06 3.92 0.00 1.93 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 2.31 2.34 0.00 64 M 8.43 4.19 0.00 1.97 2.21 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 2.59 2.71 0.00 65 R 6.77 4.01 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 66 R 8.48 4.01 0.00 1.99 2.10 0.00 3.15 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.66 4.19 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.33 4.35 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.71 4.95 0.00 1.56 1.52 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.46 5.14 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 71 A 8.31 4.90 1.15 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 72 V 8.15 4.56 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 0.83 0.00 0.00 -0.18 0.00 0.00 73 V 8.41 4.16 2.18 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 0.88 0.00 0.00 0.94 0.00 0.00 74 V 8.96 4.01 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 0.79 0.00 0.00 0.94 0.00 0.00 75 R 7.42 4.12 0.00 1.49 1.25 0.00 3.16 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.26 0.00 76 Q 8.01 4.90 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.66 0.00 77 R 9.13 4.45 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 78 K 7.87 4.26 0.00 1.77 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.90 0.00 2.12 1.97 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 80 I 8.39 4.92 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.99 0.00 0.00 81 R 8.88 4.95 0.00 1.90 1.83 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 82 R 8.75 4.73 0.00 1.81 1.82 0.00 3.22 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 83 P 0.00 4.02 0.00 2.03 2.16 0.00 3.67 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 2.04 2.12 0.00 84 D 8.03 4.57 0.00 2.78 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 85 G 8.77 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 0.00 0.00 0.00 86 T 7.73 4.13 4.31 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 1.19 0.00 0.00 87 R 8.40 5.10 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.73 4.51 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 0.75 0.00 0.00 0.89 0.00 0.00 89 K 8.42 4.98 0.00 1.96 1.71 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.39 7.81 90 F 8.97 4.70 0.00 3.32 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 91 E 9.02 4.01 0.00 1.97 2.05 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 2.31 2.26 0.00 92 D 7.76 4.79 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.72 5.17 0.00 2.62 2.71 0.00 0.00 6.48 7.25 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 94 A 9.12 5.26 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 95 A 9.21 5.03 1.12 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 0.00 0.00 96 V 8.55 4.49 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 1.00 0.00 0.00 0.93 0.00 0.00 97 I 8.38 4.26 1.83 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 1.24 0.62 0.90 0.00 0.00 98 V 8.55 4.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.81 0.00 0.00 99 D 7.84 5.05 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.87 3.91 0.00 1.97 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 2.31 2.34 0.00 101 N 8.92 4.57 0.00 2.95 2.86 0.00 0.00 7.17 7.81 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 0.00 102 E 8.29 3.79 0.00 2.22 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 2.20 2.29 0.00 103 D 8.25 5.02 0.00 2.85 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 0.00 104 P 0.00 4.50 0.00 2.33 2.19 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 105 R 8.68 3.95 0.00 1.77 1.98 0.00 3.22 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.16 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 0.00 0.00 0.00 0.00 107 T 8.50 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 108 E 8.94 4.80 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 109 L 8.48 5.03 0.00 1.52 1.59 0.96 0.95 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 0.00 110 K 8.32 4.21 0.00 1.60 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.38 7.81 111 G 8.96 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 0.00 112 P 0.00 4.86 0.00 2.26 2.17 0.00 3.79 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 2.16 2.11 0.00 113 I 8.29 4.76 1.90 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 1.14 0.63 0.92 0.00 0.00 114 A 8.21 4.67 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 0.00 115 R 8.94 3.91 0.00 2.07 2.25 0.00 3.00 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 116 E 8.32 4.09 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 2.42 2.58 0.00 117 V 7.87 3.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.99 0.00 0.00 118 A 8.28 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.25 4.09 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.80 4.06 0.00 1.08 0.66 0.00 2.86 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 121 F 7.76 4.88 0.00 3.13 2.88 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 0.00 122 G 8.36 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.29 0.00 4.07 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 0.00 124 V 7.84 3.59 2.37 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 1.04 0.00 0.00 0.90 0.00 0.00 125 A 8.20 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.77 4.38 0.00 4.03 4.12 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 0.00 127 A 7.55 4.69 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.21 4.30 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 0.00 129 T 8.54 4.17 4.25 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 1.22 0.00 0.00 130 M 7.83 4.87 0.00 1.95 1.95 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 2.58 2.54 0.00 131 I 8.36 4.78 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.67 3.98 2.18 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 0.66 0.00 0.00 0.98 0.00 0.00