NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4226 8.3049 118.1930 54.6394 32.5527 174.8131 2 I 3.7414 8.0739 121.4079 60.9219 37.6067 175.3060 3 S 4.2813 8.9939 122.2520 59.1065 64.2972 174.5676 4 G 3.8092 7.1942 104.7190 45.5773 0.0000 170.3207 5 L 4.1309 7.9931 122.4715 54.6891 42.7568 177.4215 6 S 4.3146 8.4654 121.7505 59.5283 62.8359 173.0315 7 H 4.5148 6.7528 111.9055 55.0342 30.6003 172.2454 8 I 4.4066 7.9350 119.8459 59.7439 39.8788 174.8381 9 T 5.0799 8.4323 122.6708 61.7805 70.6921 173.5590 10 L 4.9136 9.3809 125.8338 52.9241 45.6597 175.3147 11 I 5.0241 8.4569 122.0284 59.8393 39.3414 175.4935 12 V 4.8301 8.8611 119.4658 59.4420 35.5808 177.0782 13 K 4.0562 9.3300 122.8164 58.5033 32.9524 177.0313 14 D 4.9239 7.8253 119.8507 51.6741 42.5942 175.6646 15 L 4.0909 9.2907 130.4999 58.3588 42.1474 178.5347 16 N 4.4446 8.2684 115.9707 56.0057 38.6583 177.2154 17 K 4.0882 8.6709 121.4302 59.6562 32.1990 179.1550 18 T 4.1957 8.2144 116.2455 66.8205 68.3515 176.5768 19 T 3.8273 8.4127 117.8820 66.8977 68.5117 176.2369 20 A 4.0964 7.9923 121.9856 55.1054 18.4136 179.3923 21 F 4.1386 8.2827 118.6450 61.5506 39.6167 177.4270 22 L 4.1345 8.4479 118.9156 57.9321 41.2547 179.5508 23 Q 4.1013 8.4430 118.4122 58.9908 28.4146 178.5922 24 N 4.2659 8.0843 116.5417 56.4018 38.7530 177.4077 25 I 3.5067 7.1272 119.6872 63.8195 37.2749 177.2299 26 F 4.5015 7.3052 114.3917 56.4750 38.9365 175.4286 27 N 4.4718 8.4598 115.3569 52.5450 36.0966 173.9760 28 A 4.2536 8.1647 118.0957 52.8480 19.3598 177.7556 29 E 4.5760 9.0931 122.8064 54.1169 31.3912 174.7350 30 E 4.2857 9.0966 129.3922 56.3939 29.9067 176.2209 31 I 4.5665 8.6222 119.2634 60.7100 39.1850 174.5946 32 Y 4.6985 7.4433 122.3488 57.0648 42.0810 172.7914 33 S 4.5657 6.7423 118.7349 56.4712 65.6469 173.8751 34 S 4.1409 8.0776 124.5949 58.5457 64.1854 174.0519 *40 S 4.3007 8.4796 117.4212 58.2600 63.4362 171.3048 41 L 4.2446 8.6215 123.2802 57.0173 40.7658 177.0378 42 S 4.6112 7.4430 110.6300 56.6343 65.9296 172.8017 43 K 4.4125 8.5268 122.1231 56.0149 32.9594 175.2578 44 E 5.3302 9.0007 124.1993 55.5757 33.5152 174.1041 45 K 4.9479 9.4308 119.4122 54.8256 36.9735 175.2894 46 F 6.0130 8.7341 122.0127 56.2211 41.5563 174.9136 47 F 5.4290 9.8144 120.8570 55.7974 43.8028 173.7020 48 L 5.2170 9.1864 121.7364 53.3221 43.9498 175.6527 49 I 4.6351 8.8657 125.3294 59.1487 39.9207 176.0064 50 A 3.8493 9.8016 132.7191 53.1134 15.9987 177.4802 51 G 4.0656 8.4433 108.6653 45.9586 0.0000 173.8032 52 L 4.4335 8.0392 121.1198 53.2410 42.8675 175.4938 53 W 4.9410 8.8595 133.8826 57.4240 31.6784 174.4613 54 I 5.0393 9.3994 129.4493 59.6928 39.5627 174.2747 55 C 5.6939 9.5678 127.4511 57.7928 34.2149 172.2985 56 I 5.1218 9.4081 127.2255 59.9918 39.5615 174.3479 57 M 5.2687 9.0881 126.9958 53.3706 35.2114 174.6445 58 E 4.7872 9.2115 125.0315 55.9114 30.1369 175.7399 59 G 4.2924 9.0215 112.5205 45.7290 0.0000 173.3311 60 D 4.8735 8.7492 119.0157 53.0308 40.0697 176.7920 61 S 4.1989 7.7552 115.1426 58.4154 62.9782 173.2075 62 L 4.4610 8.0737 128.2184 53.5191 44.0401 175.1842 63 Q 4.2130 8.5432 127.9792 55.1140 29.8497 175.3853 64 E 4.1545 8.4771 122.3606 55.9514 30.3401 176.8967 65 R 4.1017 8.3073 120.1825 56.8175 30.6195 176.1063 66 T 4.5951 7.9854 110.8592 61.0829 71.4452 172.5228 67 Y 4.5080 8.4801 120.2135 57.8524 38.6377 174.4976 68 N 4.4180 7.7972 117.5705 53.8486 38.4793 173.9667 69 H 4.5387 8.0100 117.5955 54.4743 31.4565 172.3419 70 I 4.3338 7.6994 112.5622 59.0211 40.2081 174.2634 71 A 4.9974 7.9660 124.3501 50.2956 21.8931 175.3297 72 F 4.8471 9.3463 120.1322 55.7504 42.2527 174.6146 73 Q 4.9456 8.7289 122.9046 55.5252 30.2040 174.6196 74 I 4.8209 8.7071 118.8673 59.5521 42.0040 174.0554 75 Q 4.8055 9.2255 120.9064 54.0585 30.5704 177.1523 76 S 4.0705 8.6490 114.8616 61.7803 62.4289 175.8535 77 E 4.3276 8.1745 115.9649 57.5282 29.3984 177.3124 78 E 4.5753 8.2238 118.6571 56.1648 30.6060 177.8025 79 V 3.6938 7.6033 119.3282 66.2111 31.4551 177.6018 80 D 4.3359 8.0416 117.8858 57.4730 40.8069 178.3862 81 E 3.8655 8.1018 118.5438 59.7311 29.5205 178.9671 82 Y 3.8447 8.0385 116.6109 61.0715 37.7822 178.7684 83 T 3.8965 7.8698 116.9479 66.5376 68.4852 176.5812 84 E 3.9141 8.3976 120.7714 59.4908 29.1985 179.4929 85 R 3.7829 7.9089 117.9877 59.3453 29.6889 179.2745 86 I 3.4782 7.6320 119.2994 64.2768 37.1174 178.6200 87 K 4.0185 8.1821 119.1880 59.3793 31.6025 179.1799 88 A 4.0179 7.9461 120.3616 55.0269 18.4238 178.8922 89 L 4.3563 7.5145 113.9347 54.3252 41.8314 177.5116 90 G 4.0497 7.8474 106.5777 46.3361 0.0000 174.6656 91 V 4.0435 7.2818 110.8451 60.4953 32.4637 175.7089 92 E 4.3259 8.9271 123.9614 56.7135 30.6262 175.1818 93 M 5.5432 8.7454 126.0435 53.5598 34.7029 175.8762 94 K 4.5481 9.1665 123.1942 55.3597 33.4957 175.2200 95 P 4.5969 0.0000 0.0000 61.3548 32.7189 175.3685 96 E 3.9553 8.6227 119.1692 56.6525 29.6611 175.9230 97 R 4.3153 8.3923 126.2877 54.3364 31.3402 174.1078 98 P 4.4495 0.0000 0.0000 62.7979 31.9566 175.7814 99 R 4.7453 8.0539 116.6088 55.0764 32.6094 174.6642 100 V 4.1702 8.5747 112.8712 59.5615 33.3040 175.5280 101 Q 4.1657 8.2505 122.2671 57.6708 29.2127 176.2969 102 G 3.8890 9.0860 112.9620 44.3759 0.0000 172.5022 103 E 4.4295 7.6232 120.4355 53.9977 29.8735 175.7335 104 G 3.9015 8.4882 115.5320 44.8711 0.0000 172.1915 105 R 4.2896 8.2526 117.7396 56.7220 30.8438 176.4067 106 S 5.2798 8.6328 116.4327 57.1031 67.9985 172.8494 107 I 4.8653 8.4714 115.3720 59.4352 40.7278 173.8648 108 Y 5.3830 8.7566 121.3158 56.5225 41.6730 174.3421 109 F 5.4131 8.3668 115.8738 56.4552 41.7674 172.6367 110 Y 5.6751 9.2585 117.8623 56.0759 40.2478 175.5731 111 D 3.9692 8.5495 120.7611 52.9489 40.4510 176.8439 112 F 4.8657 7.8518 118.2016 58.0511 39.6336 175.1857 113 D 4.8730 7.5843 120.1999 54.2407 41.5886 175.5792 114 N 4.2214 8.4132 111.4195 54.4206 36.7177 173.9740 115 H 4.5707 8.8231 117.4421 54.7098 29.8439 174.2395 116 L 4.2506 8.2505 126.3933 54.2600 43.0429 175.7358 117 F 4.8366 8.6611 124.5680 55.4992 42.7168 173.8294 118 E 4.7217 8.7650 121.6180 54.2412 33.2850 174.5809 119 L 5.1617 8.5549 125.6234 53.4592 44.4753 174.6270 120 H 5.3404 9.5489 124.8932 53.4033 31.8387 174.5665 121 A 5.3754 8.2181 126.6956 51.0113 19.7346 176.4880 122 G 3.9336 7.0489 107.0073 45.0024 0.0000 173.2243 123 T 4.6938 7.8657 108.2643 59.1532 71.4231 174.0969 124 L 4.0786 8.5040 125.1522 58.1980 42.7596 178.7370 125 E 3.9395 8.3136 119.1500 59.1250 29.9739 178.2446 126 E 3.9618 8.2219 119.1895 59.1783 29.7698 177.9742 127 R 4.4942 7.6626 115.1041 56.5182 30.2414 176.6971 128 L 4.7439 7.5360 118.8786 54.3701 41.8687 176.9231 129 K 4.4970 7.8950 114.1605 56.5279 33.2264 176.5865 130 R 4.0878 7.8652 121.5164 57.0018 29.4595 176.1819 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 4.42 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 I 8.07 3.74 1.85 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 1.39 0.13 0.88 0.00 0.00 3 S 8.99 4.28 0.00 3.86 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 4 G 7.19 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 5 L 7.99 4.13 0.00 1.55 1.56 0.81 0.77 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 6 S 8.47 4.31 0.00 3.81 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 7 H 6.75 4.51 0.00 2.26 1.87 0.00 5.53 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.94 4.41 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.80 0.83 0.00 0.00 9 T 8.43 5.08 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 10 L 9.38 4.91 0.00 1.54 1.41 0.97 0.34 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 11 I 8.46 5.02 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 1.01 0.00 0.00 12 V 8.86 4.83 2.34 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 0.92 0.00 0.00 1.11 0.00 0.00 13 K 9.33 4.06 0.00 1.90 1.97 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.79 1.38 7.81 14 D 7.83 4.92 0.00 2.70 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 15 L 9.29 4.09 0.00 1.85 1.80 1.13 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.27 4.44 0.00 2.82 2.90 0.00 0.00 6.77 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.67 4.09 0.00 1.78 1.81 0.00 1.32 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.15 1.31 7.81 18 T 8.21 4.20 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 1.34 0.00 0.00 19 T 8.41 3.83 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 20 A 7.99 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 21 F 8.28 4.14 0.00 3.35 3.37 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 22 L 8.45 4.13 0.00 1.46 1.40 0.50 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.44 4.10 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 24 N 8.08 4.27 0.00 2.66 2.74 0.00 0.00 7.12 8.28 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 25 I 7.13 3.51 0.57 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.11 -0.10 0.00 0.00 26 F 7.31 4.50 0.00 2.94 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 27 N 8.46 4.47 0.00 2.84 2.89 0.00 0.00 7.22 7.35 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 28 A 8.16 4.25 1.27 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 29 E 9.09 4.58 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 30 E 9.10 4.29 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.87 0.00 31 I 8.62 4.57 1.87 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 1.30 0.95 0.99 0.00 0.00 32 Y 7.44 4.70 0.00 3.06 2.71 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 0.00 0.00 0.00 0.00 33 S 6.74 4.57 0.00 3.74 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.08 4.14 0.00 3.89 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 *40 S 8.48 4.30 0.00 3.68 3.73 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 41 L 8.62 4.24 0.00 1.66 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.44 4.61 0.00 3.96 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 43 K 8.53 4.41 0.00 1.88 1.76 0.00 1.91 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.43 7.81 44 E 9.00 5.33 0.00 2.28 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 2.25 2.30 0.00 45 K 9.43 4.95 0.00 1.82 1.19 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.36 7.81 46 F 8.73 6.01 0.00 3.03 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 47 F 9.81 5.43 0.00 3.09 2.99 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 48 L 9.19 5.22 0.00 1.75 1.65 0.93 0.95 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 49 I 8.87 4.64 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.45 0.00 0.00 50 A 9.80 3.85 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 51 G 8.44 4.07 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 0.00 0.00 0.00 52 L 8.04 4.43 0.00 1.93 1.69 1.16 0.65 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 53 W 8.86 4.94 0.00 3.36 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 54 I 9.40 5.04 2.14 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 1.46 1.01 1.10 0.00 0.00 55 C 9.57 5.69 0.00 2.97 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 56 I 9.41 5.12 2.25 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.20 1.09 0.00 0.00 57 M 9.09 5.27 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 58 E 9.21 4.79 0.00 2.01 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 0.00 2.34 2.58 0.00 59 G 9.02 4.29 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 0.00 60 D 8.75 4.87 0.00 2.81 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 61 S 7.76 4.20 0.00 3.87 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 62 L 8.07 4.46 0.00 1.56 1.49 0.90 0.73 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 63 Q 8.54 4.21 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 64 E 8.48 4.15 0.00 2.11 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 0.00 2.28 2.28 0.00 65 R 8.31 4.10 0.00 1.83 2.02 0.00 3.01 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 66 T 7.99 4.60 4.29 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 1.30 0.00 0.00 67 Y 8.48 4.51 0.00 2.82 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 68 N 7.80 4.42 0.00 2.67 2.69 0.00 0.00 6.69 8.01 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 69 H 8.01 4.54 0.00 3.18 2.97 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.70 4.33 1.47 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.42 0.68 0.00 0.00 71 A 7.97 5.00 1.13 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 0.00 0.00 72 F 9.35 4.85 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.73 4.95 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 74 I 8.71 4.82 1.90 0.00 0.00 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 1.32 0.56 0.64 0.00 0.00 75 Q 9.23 4.81 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 76 S 8.65 4.07 0.00 3.85 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 77 E 8.17 4.33 0.00 1.99 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 2.32 2.40 0.00 78 E 8.22 4.58 0.00 2.26 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 0.00 2.27 2.33 0.00 79 V 7.60 3.69 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 1.08 0.00 0.00 0.97 0.00 0.00 80 D 8.04 4.34 0.00 2.76 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 81 E 8.10 3.87 0.00 1.83 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 2.32 2.34 0.00 82 Y 8.04 3.84 0.00 3.20 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 83 T 7.87 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 84 E 8.40 3.91 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 2.30 2.46 0.00 85 R 7.91 3.78 0.00 1.87 1.77 0.00 2.88 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 86 I 7.63 3.48 1.85 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 0.77 0.00 0.00 87 K 8.18 4.02 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 88 A 7.95 4.02 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 89 L 7.51 4.36 0.00 1.63 1.81 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.85 4.05 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 0.00 0.00 0.00 91 V 7.28 4.04 2.52 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 0.94 0.00 0.00 1.01 0.00 0.00 92 E 8.93 4.33 0.00 2.19 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 0.00 2.59 2.45 0.00 93 M 8.75 5.54 0.00 2.04 2.05 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 2.61 2.93 0.00 94 K 9.17 4.55 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.97 0.00 0.00 3.31 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.49 7.81 95 P 0.00 4.60 0.00 2.20 2.11 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 E 8.62 3.96 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 97 R 8.39 4.32 0.00 1.56 1.79 0.00 2.82 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 98 P 0.00 4.45 0.00 2.05 1.95 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 99 R 8.05 4.75 0.00 2.11 1.86 0.00 3.24 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 100 V 8.57 4.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.03 0.00 0.00 101 Q 8.25 4.17 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 102 G 9.09 3.89 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 0.00 0.00 0.00 103 E 7.62 4.43 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 104 G 8.49 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 0.00 105 R 8.25 4.29 0.00 1.81 1.91 0.00 3.13 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 106 S 8.63 5.28 0.00 3.91 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 0.00 107 I 8.47 4.87 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.09 0.99 0.00 0.00 108 Y 8.76 5.38 0.00 2.91 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 0.00 109 F 8.37 5.41 0.00 3.44 3.20 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 0.00 110 Y 9.26 5.68 0.00 2.91 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 0.00 111 D 8.55 3.97 0.00 1.87 2.63 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 0.00 112 F 7.85 4.87 0.00 3.05 3.06 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 0.00 0.00 0.00 113 D 7.58 4.87 0.00 2.68 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 0.00 114 N 8.41 4.22 0.00 2.84 2.90 0.00 0.00 7.18 8.16 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 0.00 115 H 8.82 4.57 0.00 3.44 2.68 0.00 5.80 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.25 4.25 0.00 1.36 1.32 0.12 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.66 4.84 0.00 2.03 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 0.00 118 E 8.77 4.72 0.00 1.57 1.63 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 1.97 1.51 0.00 119 L 8.55 5.16 0.00 1.58 1.41 0.40 0.82 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 0.00 120 H 9.55 5.34 0.00 3.27 3.14 0.00 5.80 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 0.00 121 A 8.22 5.38 1.27 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 0.00 122 G 7.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.87 4.69 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 1.21 0.00 0.00 124 L 8.50 4.08 0.00 1.75 1.71 0.92 0.82 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 0.00 125 E 8.31 3.94 0.00 2.04 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 0.00 2.38 2.31 0.00 126 E 8.22 3.96 0.00 2.13 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 0.00 2.32 2.47 0.00 127 R 7.66 4.49 0.00 1.95 1.96 0.00 3.22 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 128 L 7.54 4.74 0.00 1.78 1.65 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.89 4.50 0.00 1.86 1.89 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 130 R 7.87 4.09 0.00 1.94 1.96 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.