NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9328 8.2027 115.6838 57.8317 31.5180 174.8566 2 D 4.2969 8.2192 120.4189 56.2305 41.2285 174.9097 3 A 4.4599 8.8276 121.2566 52.1927 19.5315 176.8121 4 F 4.8328 7.6953 113.4997 57.5445 40.8550 176.3048 5 V 3.8438 8.2052 121.1467 62.1851 31.7732 175.1781 6 G 4.2559 8.2818 114.1839 43.9065 0.0000 171.2705 7 T 4.9884 7.6636 116.9316 61.9422 70.0427 174.3121 8 W 5.3594 9.6734 126.3867 54.8941 32.9478 174.7751 9 K 4.7019 9.2444 123.2010 54.5928 34.5563 175.2791 10 L 3.2144 7.7809 125.3452 55.0957 41.9347 175.5188 11 V 4.0549 8.6084 127.9723 62.6938 31.5666 176.6037 12 S 4.7375 7.3002 112.8704 57.0774 66.8058 172.6230 13 S 4.6986 8.0020 110.9310 57.5836 64.8750 174.1659 14 E 4.5953 8.8614 125.4452 55.2763 33.1335 175.2236 15 N 4.3825 9.0047 118.7538 55.1476 37.6211 175.8375 16 F 4.7804 8.1673 119.8646 60.4752 39.1638 176.2215 17 D 4.0195 8.1613 117.0957 57.5793 40.6527 178.0718 18 D 4.3699 7.9684 118.1036 57.2144 41.0346 177.5722 19 Y 4.2661 8.1610 120.3771 60.6881 38.7970 177.4195 20 M 3.6653 7.8045 119.4113 58.2946 31.2604 178.7019 21 K 3.9068 7.5264 117.6836 59.9340 32.2014 178.8179 22 E 4.2143 7.5680 119.3447 59.1534 29.4869 178.8595 23 V 3.9370 7.1918 117.7442 65.8838 31.5882 176.3061 24 G 4.1618 7.0088 107.8729 45.6621 0.0000 173.7549 25 V 3.8035 7.7754 119.6177 61.5030 32.4324 176.6366 26 G 3.7968 8.5387 113.4235 44.6591 0.0000 173.5405 27 F 3.8403 9.0726 125.1728 61.7872 38.8095 177.5571 28 A 4.2771 8.4047 119.3901 55.5766 18.0979 179.6970 29 T 3.7676 7.8402 113.7338 66.8699 68.8127 177.1162 30 R 3.5425 8.1623 120.2667 59.2142 29.7478 179.1822 31 K 3.9549 7.6123 117.1353 58.4126 32.4637 178.8768 32 V 4.0251 7.0303 118.5063 63.3141 32.1487 178.3165 33 A 3.3135 8.1249 121.8924 54.7634 18.0128 179.9603 34 G 3.8450 7.5712 102.2722 47.5802 0.0000 174.9674 35 M 4.1899 7.3787 117.7930 56.4451 32.6417 175.9870 36 A 4.5105 7.1944 121.4212 51.6845 19.8970 177.5340 37 K 4.4296 8.1087 120.0495 53.1341 32.1154 174.3022 38 P 4.4782 0.0000 0.0000 63.0517 33.1457 174.8184 39 N 5.4601 8.5580 116.3254 51.3194 39.8496 172.0136 40 M 4.3876 9.0502 122.0843 55.5771 33.9584 174.5812 41 I 5.1208 9.3963 127.5329 59.8858 40.3150 174.2806 42 I 5.0286 8.7222 129.0506 59.8584 39.3180 175.3985 43 S 4.9164 8.9628 119.9091 57.1406 66.4877 173.2670 44 V 4.6614 8.2485 121.2522 61.7360 34.5510 175.5087 45 N 4.7556 9.2338 123.6886 53.2488 40.9300 175.8797 46 G 3.8791 7.9802 118.2976 46.5865 0.0000 172.8184 47 D 4.5612 8.8669 124.3641 53.3184 39.9214 175.4726 48 L 4.5972 7.7489 121.9023 53.4272 43.8241 175.4591 49 V 4.3627 8.2260 124.3040 61.2928 33.8097 174.1450 50 T 4.8299 8.7610 125.3075 62.0355 71.1224 173.9003 51 I 4.9349 8.6841 126.8576 59.3967 39.2677 172.9847 52 R 4.6748 8.9885 127.4214 55.1240 31.5403 174.7116 53 S 4.7642 8.7782 122.4207 56.7714 63.2619 172.9841 54 E 5.0983 9.0516 127.4487 54.5338 28.3694 175.7770 55 S 4.9883 8.6195 119.5872 56.2916 66.1246 175.3727 56 T 3.9130 8.6308 109.3003 63.4963 68.3556 175.0200 57 F 4.5482 7.0906 125.4778 58.8207 40.1687 176.0815 58 K 4.4149 8.2989 118.5902 54.5565 35.9025 175.3708 59 N 5.3235 7.9473 115.3224 51.8017 39.7381 174.1567 60 T 4.7226 7.9545 117.9733 61.2229 70.2294 172.4124 61 E 5.3256 8.2006 122.9339 55.2046 32.8382 174.2543 62 I 4.6420 8.5304 119.6918 59.3844 40.5688 174.1447 63 S 5.0199 8.5454 123.2589 56.8086 64.9813 173.3699 64 F 4.5534 7.5812 117.7911 56.2771 41.1243 172.5380 65 K 5.1291 8.5330 116.5023 54.3285 35.9700 176.2866 66 L 4.4643 8.5921 123.2515 56.2206 42.3236 176.1453 67 G 4.2724 9.2437 115.6345 45.6447 0.0000 174.0824 68 V 3.7359 6.9142 117.9746 61.9893 31.2662 175.4317 69 E 4.5677 8.6507 126.2684 56.7092 30.4696 175.8982 70 F 5.0897 8.5122 115.7198 55.4864 42.2600 172.7752 71 D 4.9328 8.8061 119.4113 53.7201 41.7697 175.7881 72 E 4.7278 9.0914 123.6977 54.3804 33.3592 174.0988 73 I 4.7551 8.3912 127.1851 59.1295 38.9377 175.0276 74 T 4.0417 8.2732 119.8469 61.1202 69.6151 174.5784 75 A 4.1023 8.6014 124.6513 55.3194 18.4970 178.6325 76 D 4.8546 8.1469 113.1107 53.2737 39.5112 176.2037 77 D 4.2192 7.6809 117.1483 55.5477 38.2208 171.3616 78 R 4.3438 8.0795 118.7890 54.5320 33.9002 173.5029 79 K 4.3369 8.7771 128.9518 56.3119 32.3916 176.0129 80 V 4.7087 8.6792 120.8704 59.4186 36.0261 175.3826 81 K 4.6920 9.0036 122.3414 55.2186 33.5824 175.9141 82 S 5.2187 7.7611 121.4313 56.4071 65.7754 173.8927 83 I 4.5633 7.7006 121.7357 60.1081 41.0232 173.2202 84 I 5.0504 8.4640 130.6076 59.8309 39.5186 174.8741 85 T 4.8483 8.7810 115.7922 59.4950 72.5791 173.6146 86 L 4.5871 7.9753 124.4669 53.0046 40.8368 175.2590 87 D 4.3994 7.8574 120.3472 54.0220 42.2376 176.1415 88 G 4.2410 9.7918 118.2345 46.6311 0.0000 172.5644 89 G 4.1067 8.2685 105.3253 44.8989 0.0000 172.5330 90 A 5.0146 7.5309 119.9838 50.2886 22.4677 176.5657 91 L 4.5310 8.2579 120.0343 53.7761 42.2787 176.1297 92 V 4.4389 8.7685 125.9976 61.5466 32.9636 174.2504 93 Q 4.8163 9.2043 131.0529 54.4775 31.1116 174.1181 94 V 4.7157 8.4320 127.0785 61.3614 33.9568 174.1737 95 Q 4.7972 9.2194 127.7530 54.3330 30.8005 174.5860 96 K 5.3232 8.5312 124.6307 54.5884 34.7023 175.8465 97 W 4.7750 9.3204 118.1670 56.4834 31.8705 174.3536 98 D 4.3734 10.0471 123.6195 55.3085 38.1267 174.2886 99 G 4.2012 8.3982 110.4470 45.7348 0.0000 175.2421 100 K 3.8223 6.7218 118.1716 56.4734 32.5244 175.4670 101 S 5.1930 7.5352 113.2859 57.6701 65.2692 172.9949 102 T 5.0953 9.2951 119.9357 60.7511 71.5052 172.4306 103 T 5.0785 8.6943 120.8885 61.9269 72.0790 173.5788 104 I 4.4789 9.1153 128.1297 59.7177 39.3519 174.6898 105 K 4.7915 9.3448 127.9235 54.8216 34.5408 176.0214 106 R 4.9390 8.7341 124.6415 54.2074 31.3537 175.4765 107 K 4.8271 8.7705 124.6504 55.4271 35.8358 175.2865 108 R 4.9424 8.2933 119.0175 54.7890 33.1980 174.7647 109 D 4.5870 9.0604 125.2504 53.0328 44.4359 178.0661 110 G 3.9966 8.7183 117.5949 46.8426 0.0000 172.5101 111 D 4.8189 9.3097 120.8461 52.8716 40.2209 175.9496 112 K 5.0496 8.2762 119.8275 54.8056 36.2779 174.7973 113 L 4.7027 8.2337 124.3414 53.4435 44.0990 175.1444 114 V 4.4830 8.3572 127.5636 61.4571 33.4705 174.4580 115 V 4.7715 8.6939 128.3883 61.5360 33.5784 174.5543 116 E 5.4502 8.9523 127.4119 53.5031 33.6209 174.5654 *118 V 4.2436 8.0573 118.3172 63.1957 32.7880 175.6480 119 M 4.9104 8.3350 125.7834 54.6016 32.2752 174.0766 120 K 3.5486 8.9449 122.2108 57.2733 29.9404 173.8605 121 G 4.1541 8.2984 117.4681 45.2420 0.0000 171.6840 122 V 3.7382 7.3964 117.4920 60.8792 32.1847 175.1752 123 T 4.6026 8.2935 118.3060 60.1046 69.1821 173.0539 124 S 4.7019 8.2616 123.4970 58.3970 64.5797 172.9143 125 T 5.0191 8.7756 119.5588 62.1668 72.4947 173.2757 126 R 4.6765 8.8860 125.8738 54.2701 33.4313 174.8957 127 V 4.5559 8.1179 124.7540 62.0934 33.3028 174.5532 128 Y 5.2538 8.9548 124.6165 56.6167 41.9583 174.0092 129 E 5.0892 9.4072 119.5132 55.0557 33.6981 174.3778 130 R 3.6566 8.9271 124.6260 56.7097 30.6898 176.2428 131 A 4.1949 8.4996 124.8967 52.1850 18.0062 177.1237 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 C 8.20 4.93 0.00 3.17 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 2 D 8.22 4.30 0.00 2.77 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 3 A 8.83 4.46 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.70 4.83 0.00 3.05 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 5 V 8.21 3.84 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 0.81 0.00 0.00 1.06 0.00 0.00 6 G 8.28 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 0.00 0.00 0.00 0.00 7 T 7.66 4.99 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 1.23 0.00 0.00 8 W 9.67 5.36 0.00 3.29 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.24 4.70 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 10 L 7.78 3.21 0.00 1.33 1.37 0.19 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.61 4.05 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 0.82 0.00 0.00 0.99 0.00 0.00 12 S 7.30 4.74 0.00 3.89 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 13 S 8.00 4.70 0.00 3.69 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 14 E 8.86 4.60 0.00 2.02 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 2.37 2.25 0.00 15 N 9.00 4.38 0.00 2.92 3.01 0.00 0.00 7.02 7.02 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 16 F 8.17 4.78 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.16 4.02 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.97 4.37 0.00 2.72 2.74 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 19 Y 8.16 4.27 0.00 3.20 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 20 M 7.80 3.67 0.00 1.76 1.91 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 21 K 7.53 3.91 0.00 1.95 1.99 0.00 1.28 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.44 7.81 22 E 7.57 4.21 0.00 1.98 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 2.49 2.46 0.00 23 V 7.19 3.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.49 0.00 0.00 24 G 7.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.78 3.80 1.94 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 0.71 0.00 0.00 0.83 0.00 0.00 26 G 8.54 3.80 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 0.00 0.00 0.00 27 F 9.07 3.84 0.00 3.10 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 28 A 8.40 4.28 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 29 T 7.84 3.77 4.37 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 1.26 0.00 0.00 30 R 8.16 3.54 0.00 1.67 1.88 0.00 2.89 0.00 0.00 2.97 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.84 0.00 31 K 7.61 3.95 0.00 1.85 1.82 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.14 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.29 1.49 7.81 32 V 7.03 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 0.98 0.00 0.00 1.11 0.00 0.00 33 A 8.12 3.31 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 34 G 7.57 3.84 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 0.00 0.00 0.00 35 M 7.38 4.19 0.00 2.27 2.37 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 2.62 2.57 0.00 36 A 7.19 4.51 1.45 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 0.00 0.00 37 K 8.11 4.43 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.35 7.81 38 P 0.00 4.48 0.00 2.26 2.13 0.00 3.51 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 39 N 8.56 5.46 0.00 2.96 2.76 0.00 0.00 7.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 9.05 4.39 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 41 I 9.40 5.12 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.95 0.00 0.00 42 I 8.72 5.03 2.31 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.97 0.00 0.00 43 S 8.96 4.92 0.00 3.84 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 44 V 8.25 4.66 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 0.80 0.00 0.00 0.92 0.00 0.00 45 N 9.23 4.76 0.00 2.68 2.57 0.00 0.00 7.41 8.32 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 46 G 7.98 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 47 D 8.87 4.56 0.00 2.78 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 48 L 7.75 4.60 0.00 1.75 1.47 0.83 0.67 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 49 V 8.23 4.36 0.80 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 0.72 0.00 0.00 0.76 0.00 0.00 50 T 8.76 4.83 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 51 I 8.68 4.93 1.98 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 1.13 1.12 0.91 0.00 0.00 52 R 8.99 4.67 0.00 1.94 1.82 0.00 3.35 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 53 S 8.78 4.76 0.00 3.95 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 54 E 9.05 5.10 0.00 1.99 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 2.31 2.12 0.00 55 S 8.62 4.99 0.00 4.02 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 56 T 8.63 3.91 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 1.26 0.00 0.00 57 F 7.09 4.55 0.00 3.10 3.10 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 58 K 8.30 4.41 0.00 0.79 1.37 0.00 1.21 0.00 0.00 1.19 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.12 1.24 7.81 59 N 7.95 5.32 0.00 2.58 2.65 0.00 0.00 6.42 7.05 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 60 T 7.95 4.72 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 1.26 0.00 0.00 61 E 8.20 5.33 0.00 1.98 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 2.17 2.27 0.00 62 I 8.53 4.64 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 1.09 0.00 0.00 63 S 8.55 5.02 0.00 3.66 3.66 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 64 F 7.58 4.55 0.00 2.58 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 0.00 0.00 0.00 65 K 8.53 5.13 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.42 7.81 66 L 8.59 4.46 0.00 1.68 1.67 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.24 4.27 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 68 V 6.91 3.74 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 1.04 0.00 0.00 69 E 8.65 4.57 0.00 2.06 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 2.29 2.32 0.00 70 F 8.51 5.09 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.81 4.93 0.00 2.66 2.68 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 72 E 9.09 4.73 0.00 2.07 1.64 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 2.22 2.37 0.00 73 I 8.39 4.76 1.87 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 0.90 0.93 0.00 0.00 74 T 8.27 4.04 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 1.03 0.00 0.00 75 A 8.60 4.10 1.48 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 76 D 8.15 4.85 0.00 2.82 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 77 D 7.68 4.22 0.00 2.83 2.69 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 0.00 0.00 0.00 78 R 8.08 4.34 0.00 1.69 1.45 0.00 2.21 0.00 0.00 2.68 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.17 0.00 79 K 8.78 4.34 0.00 1.81 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 80 V 8.68 4.71 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.84 0.00 0.00 81 K 9.00 4.69 0.00 1.63 1.65 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.36 7.81 82 S 7.76 5.22 0.00 2.72 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.70 4.56 1.79 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 1.33 1.40 0.91 0.00 0.00 84 I 8.46 5.05 1.30 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 0.77 0.00 0.00 85 T 8.78 4.85 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 86 L 7.98 4.59 0.00 1.65 1.67 1.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.86 4.40 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.79 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 0.00 0.00 0.00 0.00 89 G 8.27 4.11 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 0.00 90 A 7.53 5.01 1.29 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 0.00 0.00 91 L 8.26 4.53 0.00 1.23 1.40 0.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.77 4.44 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 0.97 0.00 0.00 0.96 0.00 0.00 93 Q 9.20 4.82 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 94 V 8.43 4.72 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 0.92 0.00 0.00 0.92 0.00 0.00 95 Q 9.22 4.80 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 96 K 8.53 5.32 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 97 W 9.32 4.78 0.00 3.44 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 98 D 10.05 4.37 0.00 2.48 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 99 G 8.40 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 0.00 0.00 0.00 0.00 100 K 6.72 3.82 0.00 0.79 0.75 0.00 1.16 0.00 0.00 1.15 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.10 1.10 7.81 101 S 7.54 5.19 0.00 3.78 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 0.00 102 T 9.30 5.10 4.65 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 1.50 0.00 0.00 103 T 8.69 5.08 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 1.21 0.00 0.00 104 I 9.12 4.48 1.83 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 1.37 0.96 0.85 0.00 0.00 105 K 9.34 4.79 0.00 1.62 1.68 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.37 7.81 106 R 8.73 4.94 0.00 1.49 1.68 0.00 2.87 0.00 0.00 3.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 107 K 8.77 4.83 0.00 1.86 1.99 0.00 1.25 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.37 7.81 108 R 8.29 4.94 0.00 1.46 1.63 0.00 3.15 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 109 D 9.06 4.59 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.72 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 0.00 111 D 9.31 4.82 0.00 2.85 2.81 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 0.00 112 K 8.28 5.05 0.00 1.83 1.85 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.43 7.81 113 L 8.23 4.70 0.00 0.27 1.01 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.36 4.48 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 0.85 0.00 0.00 0.93 0.00 0.00 115 V 8.69 4.77 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 0.85 0.00 0.00 0.67 0.00 0.00 116 E 8.95 5.45 0.00 1.83 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 2.18 2.02 0.00 *118 V 8.06 4.24 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 0.99 0.00 0.00 0.94 0.00 0.00 119 M 8.33 4.91 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 120 K 8.94 3.55 0.00 1.91 1.81 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.41 7.81 121 G 8.30 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 0.00 122 V 7.40 3.74 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 0.85 0.00 0.00 1.05 0.00 0.00 123 T 8.29 4.60 4.27 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 1.27 0.00 0.00 124 S 8.26 4.70 0.00 4.21 3.43 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 0.00 125 T 8.78 5.02 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 1.20 0.00 0.00 126 R 8.89 4.68 0.00 1.78 1.64 0.00 2.24 0.00 0.00 2.75 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.33 0.00 127 V 8.12 4.56 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 1.07 0.00 0.00 0.92 0.00 0.00 128 Y 8.95 5.25 0.00 2.97 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 0.00 129 E 9.41 5.09 0.00 2.15 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 2.27 2.38 0.00 130 R 8.93 3.66 0.00 1.49 1.56 0.00 3.00 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 131 A 8.50 4.19 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 * Residues marked with a * may have inaccurate shift predictions.