NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 L 4.3144 8.0385 120.9939 55.7947 41.8190 177.9689 19 A 4.6498 7.9740 115.5988 52.7015 18.0006 177.0938 20 K 4.4553 8.7027 117.8055 59.6016 34.8743 176.7608 21 G 3.6873 7.6095 107.3859 47.6227 0.0000 172.5214 22 Y 4.6806 7.0477 120.4626 55.6600 42.4330 171.9652 23 R 3.1620 6.6624 127.8890 55.6238 27.6445 177.2030 24 G 3.3608 7.7651 117.1095 42.8088 0.0000 172.3488 25 Q 3.7509 7.3147 116.2751 56.7894 29.4294 179.1552 26 R 4.1824 8.2108 119.5189 56.0467 29.2930 176.0368 27 S 4.7696 7.6134 112.6720 57.2473 65.7108 175.2001 28 R 3.9577 8.4503 117.0383 59.3937 29.6077 178.9851 29 S 4.0742 8.3195 112.4919 61.6218 62.4635 174.5229 30 Y 4.1553 8.2305 117.9008 61.2816 38.1117 178.7427 31 R 3.5653 6.9331 117.0974 59.1544 30.9947 178.0123 32 R 3.8110 7.7777 118.1539 59.7405 30.1002 178.4740 33 A 4.0008 8.6466 120.7100 54.9103 18.1142 179.5258 34 K 3.7495 8.3130 118.0317 59.4082 32.2239 178.4244 35 E 3.9706 8.2315 119.1152 58.9276 29.8583 178.2070 36 A 4.1997 7.7467 120.4092 55.2351 18.3492 180.2765 37 V 3.4578 7.5844 113.8266 64.3668 31.8795 177.7090 *39 R 4.2904 8.0042 117.8165 55.8242 32.2469 177.7806 40 A 4.2012 8.2566 119.6315 54.9617 18.2745 179.8002 41 L 3.9571 8.3509 117.9447 58.2402 41.9020 178.9875 42 Y 4.0170 8.0329 118.9405 60.8097 38.6155 177.7726 43 Y 3.9447 8.0424 117.5593 61.2618 38.0101 178.2241 44 Q 4.1207 8.2140 118.7843 58.9564 28.8480 178.2890 45 Y 4.0138 8.1266 120.9371 60.5153 38.8194 177.6547 46 R 3.7157 7.7141 119.4850 59.2045 30.0146 178.2639 47 D 4.3398 8.0666 119.0486 57.3210 40.7654 178.2168 48 R 3.8264 7.7581 119.4990 58.8137 29.8446 178.3345 49 K 3.6728 7.3608 118.0460 59.5345 32.4582 178.5675 50 L 4.0096 7.7170 119.9753 58.2421 41.8491 178.9230 51 R 3.8372 8.2218 119.0060 59.3256 29.5253 178.2051 52 K 4.0965 8.8031 119.1031 58.5717 31.7100 178.2032 53 R 4.1548 7.9773 118.6353 58.3992 30.2461 178.0824 54 E 3.8489 7.8784 118.2480 59.1378 29.4791 178.7854 55 F 3.2731 7.5592 117.5686 60.3609 38.5796 177.4257 56 R 3.8160 7.4688 117.0359 59.9901 29.8784 178.5746 57 R 3.8688 7.5419 116.2894 58.8033 29.8216 178.5987 58 L 3.8343 7.2948 119.1855 58.5250 42.4071 178.3715 59 W 4.9504 8.1354 118.2913 60.7243 28.9821 178.1317 60 I 3.4433 8.0975 118.4670 64.8826 36.5796 178.4094 61 A 4.0435 7.8914 120.8431 54.9516 18.1020 179.4698 62 R 3.9253 8.2462 117.5547 59.3942 30.1065 178.4261 63 I 3.8061 7.9445 118.8292 64.9004 37.5489 177.3633 64 N 4.5924 8.3158 117.0436 56.7529 39.0773 176.7613 65 A 4.0594 8.0218 121.9561 55.1532 18.1865 179.2569 66 A 4.2530 8.3795 119.0547 54.2977 18.8080 179.1120 67 V 4.1297 7.6511 115.8211 62.7385 31.7677 177.8147 68 R 4.0736 7.7944 119.3744 59.6516 29.6265 177.7838 69 A 3.8625 7.9015 123.6851 55.2399 18.6914 177.6087 70 Y 4.3469 8.0495 111.6847 57.6684 38.3438 175.5269 71 G 3.7991 8.6250 106.9978 45.5392 0.0000 172.4912 72 L 4.4310 7.4649 116.0976 53.0173 46.7962 174.4329 73 N 5.2164 8.6511 117.3274 50.5496 41.7879 174.4125 74 Y 4.2832 8.7773 120.0569 61.3670 38.5911 178.1562 75 S 4.1120 8.4160 115.6288 61.8846 63.0265 176.4751 76 T 3.8769 8.4688 112.2075 65.0532 68.4525 176.1481 77 F 4.3456 8.5080 123.3368 60.8753 38.9049 177.0466 78 I 3.4233 7.3837 119.0200 63.6554 36.8195 177.9628 79 N 4.3973 8.0859 117.7584 56.0078 38.2989 177.7730 80 G 3.5002 8.1783 107.2992 47.8123 0.0000 175.7112 81 L 3.8442 7.4896 121.6460 57.4034 41.3299 179.7608 82 K 3.9670 7.6210 117.6068 58.8458 31.9120 179.3544 83 K 4.0132 7.6340 117.6904 58.3590 32.1125 178.1757 84 A 4.3819 7.7873 118.9684 50.7567 20.0057 176.6865 85 G 3.6732 7.5601 105.1912 46.9589 0.0000 175.4925 86 I 4.2764 8.0212 118.2904 59.6068 38.9118 176.7863 87 E 4.3917 8.4644 126.7116 54.4964 28.1631 174.9511 88 L 4.8056 7.6209 120.9349 51.9879 45.6654 177.2099 89 D 4.6599 8.3786 122.1040 53.9101 42.9903 177.9719 90 R 4.2356 8.4914 118.1881 58.6480 29.4811 179.0005 91 K 2.8614 7.7870 119.9301 59.1136 32.6160 178.3682 92 I 3.7272 7.3777 119.5057 64.3142 36.9284 177.8589 93 L 4.0575 8.1104 118.4139 58.1740 41.7121 179.5147 94 A 4.0056 7.9099 119.0881 54.1838 18.3684 177.7738 95 D 4.3240 7.3808 116.3995 54.7055 41.1099 177.4333 *97 A 3.2529 7.8921 122.1930 50.6192 20.2919 178.3801 98 V 4.1029 7.3984 113.2236 63.9265 33.4862 176.9695 99 R 4.0298 8.1689 119.5653 58.7902 30.4839 176.2954 100 D 4.8204 7.5458 116.5977 50.1234 41.3145 173.0613 101 P 4.3315 0.0000 0.0000 65.9515 31.2931 178.3678 102 Q 3.9060 8.1751 118.1653 59.1187 28.9920 177.5687 103 A 4.2719 7.7062 121.7822 54.4478 18.6155 178.9329 104 F 4.2152 8.2948 119.0332 61.6219 39.3919 176.7638 105 E 3.4027 8.1251 118.5914 59.5611 28.8706 178.9241 106 Q 3.8886 7.8719 117.6766 58.7973 28.7179 178.9030 107 V 3.6180 7.6832 119.5204 65.6921 31.5263 177.8888 108 V 3.2798 7.2049 117.5856 66.1250 31.3897 177.4702 109 N 4.4974 8.2618 116.2731 56.0337 38.5011 177.2141 110 K 3.9933 7.5421 120.6448 58.8844 32.3599 179.0698 111 V 3.5588 7.7382 118.6051 65.8012 31.6539 178.0802 112 K 3.8984 8.4561 118.6026 60.2994 31.7363 177.9443 113 E 3.7758 8.1303 116.3962 59.0172 29.2927 178.5352 114 A 4.0840 7.9196 122.5373 55.7452 19.0250 179.0083 115 L 3.8952 8.1447 115.5467 57.6775 41.9753 177.8740 116 Q 4.0768 7.7269 117.0671 56.3107 29.1286 177.3833 117 V 4.1785 7.6242 122.0871 61.4609 31.8681 175.0146 118 Q 3.8798 8.4045 122.3309 55.9248 28.6357 173.6957 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 18 L 8.04 4.31 0.00 1.89 1.98 1.01 0.21 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 19 A 7.97 4.65 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.70 4.46 0.00 1.67 1.81 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.43 7.81 21 G 7.61 3.69 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 0.00 0.00 0.00 22 Y 7.05 4.68 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 6.66 3.16 0.00 1.94 1.83 0.00 3.04 0.00 0.00 3.40 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 24 G 7.77 3.36 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 0.00 25 Q 7.31 3.75 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.70 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 26 R 8.21 4.18 0.00 1.92 1.97 0.00 3.10 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 27 S 7.61 4.77 0.00 4.04 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 28 R 8.45 3.96 0.00 1.99 2.25 0.00 3.15 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 29 S 8.32 4.07 0.00 3.94 3.95 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 30 Y 8.23 4.16 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 6.93 3.57 0.00 2.09 1.92 0.00 3.54 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 32 R 7.78 3.81 0.00 1.81 2.19 0.00 3.09 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 33 A 8.65 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 34 K 8.31 3.75 0.00 1.02 1.46 0.00 1.45 0.00 0.00 0.80 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.20 1.25 7.81 35 E 8.23 3.97 0.00 1.91 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 2.30 2.29 0.00 36 A 7.75 4.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 3.46 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 1.13 0.00 0.00 0.99 0.00 0.00 *39 R 8.00 4.29 0.00 2.17 2.22 0.00 3.30 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 40 A 8.26 4.20 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 0.00 0.00 41 L 8.35 3.96 0.00 1.72 1.74 0.93 0.89 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 42 Y 8.03 4.02 0.00 2.92 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 43 Y 8.04 3.94 0.00 3.32 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 44 Q 8.21 4.12 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 45 Y 8.13 4.01 0.00 3.10 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 46 R 7.71 3.72 0.00 1.55 1.82 0.00 3.13 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 47 D 8.07 4.34 0.00 2.79 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 48 R 7.76 3.83 0.00 1.87 1.66 0.00 3.10 0.00 0.00 3.11 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 49 K 7.36 3.67 0.00 1.53 1.70 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.36 7.81 50 L 7.72 4.01 0.00 1.89 1.60 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.22 3.84 0.00 1.98 2.13 0.00 3.21 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 1.88 1.77 0.00 52 K 8.80 4.10 0.00 1.84 2.00 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 53 R 7.98 4.15 0.00 2.03 1.99 0.00 3.10 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 54 E 7.88 3.85 0.00 1.67 1.65 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 2.26 2.53 0.00 55 F 7.56 3.27 0.00 2.81 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 0.00 0.00 0.00 0.00 56 R 7.47 3.82 0.00 2.06 1.93 0.00 3.25 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 57 R 7.54 3.87 0.00 1.99 1.85 0.00 3.10 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 58 L 7.29 3.83 0.00 1.39 1.20 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.14 4.95 0.00 3.54 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 60 I 8.10 3.44 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.27 0.20 0.00 0.00 61 A 7.89 4.04 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 62 R 8.25 3.93 0.00 2.02 2.13 0.00 3.12 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 63 I 7.94 3.81 2.25 0.00 0.00 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 1.70 0.94 1.44 0.00 0.00 64 N 8.32 4.59 0.00 3.04 3.06 0.00 0.00 7.04 9.28 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 65 A 8.02 4.06 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 66 A 8.38 4.25 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 67 V 7.65 4.13 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 1.02 0.00 0.00 0.68 0.00 0.00 68 R 7.79 4.07 0.00 2.13 1.96 0.00 3.20 0.00 0.00 3.21 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 69 A 7.90 3.86 1.07 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 70 Y 8.05 4.35 0.00 2.90 2.92 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 71 G 8.63 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 72 L 7.46 4.43 0.00 1.76 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.65 5.22 0.00 3.19 2.96 0.00 0.00 7.03 6.91 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 74 Y 8.78 4.28 0.00 3.17 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 75 S 8.42 4.11 0.00 4.18 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 76 T 8.47 3.88 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 1.25 0.00 0.00 77 F 8.51 4.35 0.00 3.06 3.25 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 0.00 78 I 7.38 3.42 1.66 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.13 0.70 0.00 0.00 79 N 8.09 4.40 0.00 2.96 2.82 0.00 0.00 6.82 7.80 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 80 G 8.18 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 0.00 0.00 0.00 81 L 7.49 3.84 0.00 1.51 1.49 0.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.62 3.97 0.00 1.86 1.78 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.54 7.81 83 K 7.63 4.01 0.00 1.63 1.84 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 84 A 7.79 4.38 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 85 G 7.56 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.02 4.28 1.89 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 1.25 0.81 0.85 0.00 0.00 87 E 8.46 4.39 0.00 1.90 1.89 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 2.23 2.34 0.00 88 L 7.62 4.81 0.00 1.51 1.50 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.38 4.66 0.00 2.69 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 90 R 8.49 4.24 0.00 2.28 2.41 0.00 3.22 0.00 0.00 3.54 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 91 K 7.79 2.86 0.00 1.83 1.82 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.33 7.81 92 I 7.38 3.73 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 1.59 0.63 0.89 0.00 0.00 93 L 8.11 4.06 0.00 1.84 2.04 1.01 1.15 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 94 A 7.91 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 7.38 4.32 0.00 2.68 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 *97 A 7.89 3.25 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.40 4.10 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 0.81 0.00 0.00 0.86 0.00 0.00 99 R 8.17 4.03 0.00 1.82 1.95 0.00 3.38 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 100 D 7.55 4.82 0.00 2.69 2.49 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 0.00 0.00 0.00 101 P 0.00 4.33 0.00 2.36 2.36 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 102 Q 8.18 3.91 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 103 A 7.71 4.27 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.22 0.00 3.11 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.13 3.40 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 106 Q 7.87 3.89 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 107 V 7.68 3.62 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 1.02 0.00 0.00 0.95 0.00 0.00 108 V 7.20 3.28 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 0.38 0.00 0.00 -0.11 0.00 0.00 109 N 8.26 4.50 0.00 2.68 2.83 0.00 0.00 6.80 7.70 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 0.00 110 K 7.54 3.99 0.00 1.96 1.83 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.55 7.81 111 V 7.74 3.56 2.32 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 0.94 0.00 0.00 0.96 0.00 0.00 112 K 8.46 3.90 0.00 1.76 1.85 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 113 E 8.13 3.78 0.00 2.07 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 2.34 0.00 114 A 7.92 4.08 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 0.00 115 L 8.14 3.90 0.00 1.86 1.73 0.94 1.00 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 0.00 116 Q 7.73 4.08 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 117 V 7.62 4.18 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 0.83 0.00 0.00 0.96 0.00 0.00 118 Q 8.40 3.88 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.42 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.