NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9576 8.2133 109.7117 44.8185 0.0000 174.1977 4 W 4.5931 8.7916 127.9149 59.0596 29.2444 177.5474 5 S 4.2074 9.1194 114.8931 61.2982 63.4058 174.9751 6 N 4.4281 8.3924 117.7187 55.7974 38.4364 175.7926 7 F 4.4388 7.7370 116.4413 57.4342 39.4890 175.2061 8 K 4.1882 8.6591 125.5225 58.0600 33.0773 176.9174 9 F 5.1601 8.2457 117.8771 55.6880 43.4545 173.7879 10 L 5.1338 8.9517 125.1041 54.0616 44.4973 174.6038 11 F 5.0391 8.8093 120.6257 56.0781 41.7074 173.0413 12 L 5.3268 8.6893 119.2354 53.3482 43.9450 176.1682 13 S 4.7230 8.9415 116.4724 56.4205 64.6518 173.5261 14 P 4.0512 0.0000 0.0000 66.0743 31.2044 177.5373 15 G 3.6821 8.0349 103.8896 46.4096 0.0000 174.1046 16 G 3.9249 8.9453 108.7965 45.2038 0.0000 173.2018 17 E 4.5390 8.2796 119.2920 54.9186 31.7949 174.8609 18 L 4.8417 8.9288 125.7170 54.1414 43.9805 174.5881 19 Y 4.9062 9.0482 124.6542 56.1615 40.4113 175.0250 20 G 4.4655 9.1221 110.7414 44.5112 0.0000 171.2980 21 V 4.9787 9.1520 125.3761 61.5236 33.7541 174.3499 22 L 4.7147 8.7750 129.5254 54.2405 45.0774 177.1394 23 N 4.1269 9.2428 125.2366 54.7076 37.6588 175.5032 24 D 4.7564 9.2655 126.8129 53.9116 40.8744 176.3019 25 K 4.4758 7.8084 119.8110 54.9060 34.2267 174.5608 26 I 5.1552 7.7281 119.5961 59.5541 40.7556 173.9497 27 Y 4.7916 9.5235 126.1745 55.9914 41.4748 174.5193 28 K 4.4617 8.4992 123.3427 54.7293 35.0204 175.1475 29 G 4.1546 8.6278 113.3998 45.5537 0.0000 171.7165 30 T 4.5157 8.3613 116.9842 62.3584 68.9188 173.7587 31 P 4.2571 0.0000 0.0000 61.9582 31.9930 174.5932 32 P 4.5447 0.0000 0.0000 63.0296 31.9799 175.8444 33 T 4.5824 7.8777 115.1871 61.6272 72.0158 173.7376 34 H 4.0687 8.6244 122.0617 55.9568 29.4751 174.6239 *37 D 4.7222 8.4133 118.6051 53.5187 41.2129 176.0272 38 N 5.0307 7.7752 115.9438 51.1346 39.5102 172.6758 39 W 4.5278 8.3508 133.9943 59.2810 31.1888 176.3593 40 L 4.9017 6.9505 115.7190 55.4946 47.5584 174.5113 41 G 3.9222 7.4763 108.1476 44.6476 0.0000 172.3091 42 R 4.1000 8.3076 115.6428 55.3130 30.6149 175.7537 43 A 4.5254 7.7607 123.4156 50.5401 21.6082 175.5435 44 K 4.2490 7.6111 117.7787 54.9842 34.9413 175.5637 45 K 4.1176 8.5535 127.8796 55.8254 31.4977 175.7098 46 I 4.2032 8.1413 126.8076 61.4465 39.0100 175.1503 47 G 4.3708 7.5355 106.6736 44.5403 0.0000 171.9715 48 D 4.7405 9.0893 121.2275 54.7320 42.7705 176.0980 49 G 3.9260 8.9138 113.2890 47.2496 0.0000 172.9552 50 G 3.7083 8.7539 109.0606 44.9167 0.0000 175.3162 51 W 4.5463 7.8508 119.7044 59.1133 29.4724 177.3156 52 N 4.8526 8.1850 113.1577 53.1497 37.1825 175.5309 53 Q 3.8781 7.1663 118.8131 59.0558 28.8687 177.7147 54 F 5.1211 7.2348 113.8930 57.0929 40.0505 175.7467 55 Q 4.1310 9.0985 124.2712 58.0161 29.3498 176.3785 56 F 5.1997 7.9856 115.5970 55.9062 43.6639 174.5862 57 L 4.6334 8.9143 121.5485 54.9827 44.2654 173.6544 58 F 4.9389 8.3730 120.6796 56.2957 41.6307 172.8716 59 F 5.3514 8.8840 117.9323 55.7526 41.0513 175.7164 60 D 4.7914 10.0830 122.7951 53.5765 41.7164 175.6985 61 P 4.4685 0.0000 0.0000 65.3714 31.4271 176.9102 62 N 4.6433 8.4093 113.2719 53.4296 38.9964 175.7814 63 G 3.9702 8.7921 107.2638 45.4908 0.0000 172.9549 64 Y 4.4947 8.1297 117.1004 57.1413 39.8779 174.0387 65 L 4.4366 8.8396 125.3524 53.7993 44.2108 174.7886 66 Y 5.1976 8.5622 123.0855 56.4953 41.0103 174.5311 67 A 5.1978 8.7967 122.0441 50.7563 23.3940 175.2666 68 V 5.1432 8.9955 120.0994 61.3125 34.8727 174.5871 69 S 4.9505 9.1243 121.7584 57.1236 66.1416 173.9230 70 K 4.0212 9.6583 125.9666 58.3173 30.9872 175.2719 71 D 4.6421 8.7008 114.3714 55.8264 38.6335 173.8695 72 K 4.5248 8.1563 118.0772 54.7464 35.3919 174.5711 73 L 5.0109 7.6958 123.6020 54.2571 43.9822 174.7028 74 Y 5.3198 9.1630 123.2075 56.1673 41.8808 174.5473 75 K 4.9365 8.7790 123.0775 54.9248 36.0332 174.7702 76 A 4.8119 8.6352 125.8149 50.5146 23.1892 173.8563 77 P 4.7128 0.0000 0.0000 61.9476 32.0448 175.1361 78 P 4.5438 0.0000 0.0000 61.5677 32.1864 174.4751 79 P 4.7136 0.0000 0.0000 63.3364 31.7301 176.4855 80 Q 4.3431 8.4454 119.3172 57.1196 29.7126 175.8999 81 S 4.6784 7.5386 111.2457 56.7272 65.4838 174.8223 82 D 4.7712 8.5590 120.2552 55.1223 39.3954 177.3925 83 T 3.9396 7.5041 113.6573 64.5830 67.5229 173.0359 84 D 4.2439 7.7799 120.7203 54.4591 40.8536 175.5300 85 N 4.6154 8.6100 126.3614 52.6582 38.6722 175.0224 86 W 4.3327 8.7029 135.0000 60.0120 31.0915 177.3877 87 I 2.9619 7.9891 112.2280 64.2003 36.4297 177.5421 88 A 3.9147 7.5635 120.5103 54.1219 18.2796 178.2215 89 R 4.1818 7.5936 110.4521 55.7726 30.4005 176.1772 90 A 3.8726 6.8760 121.8026 52.1290 18.7168 177.0811 91 T 4.4640 8.5595 118.2436 60.8749 69.3543 173.1715 92 E 4.9046 8.6687 126.2396 55.0683 29.7234 175.2160 93 I 4.4341 8.6849 116.7414 59.7788 41.4046 173.7309 94 G 3.8978 9.2427 116.5034 47.0253 0.0000 174.4070 *95 S 4.3976 8.3822 120.4422 57.8323 62.8304 170.6201 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 3 G 8.21 3.96 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 0.00 0.00 0.00 4 W 8.79 4.59 0.00 3.56 3.28 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 0.00 5 S 9.12 4.21 0.00 3.94 3.99 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 6 N 8.39 4.43 0.00 2.50 2.70 0.00 0.00 7.03 7.04 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 7 F 7.74 4.44 0.00 3.20 3.39 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 0.00 0.00 0.00 0.00 8 K 8.66 4.19 0.00 1.72 1.76 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.44 1.12 7.81 9 F 8.25 5.16 0.00 3.33 3.24 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 10 L 8.95 5.13 0.00 1.60 1.56 0.58 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.81 5.04 0.00 3.08 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 12 L 8.69 5.33 0.00 1.61 1.68 0.92 0.84 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 13 S 8.94 4.72 0.00 4.00 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 0.00 14 P 0.00 4.05 0.00 2.07 2.21 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 2.04 2.13 0.00 15 G 8.03 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 0.00 0.00 0.00 16 G 8.95 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 0.00 0.00 0.00 17 E 8.28 4.54 0.00 2.08 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 2.26 0.00 18 L 8.93 4.84 0.00 1.67 1.63 0.86 0.76 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 19 Y 9.05 4.91 0.00 1.70 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 0.00 0.00 0.00 20 G 9.12 4.47 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 21 V 9.15 4.98 2.59 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 1.23 0.00 0.00 1.21 0.00 0.00 22 L 8.78 4.71 0.00 1.07 1.44 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.24 4.13 0.00 2.89 2.15 0.00 0.00 7.08 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 24 D 9.27 4.76 0.00 2.78 2.79 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 25 K 7.81 4.48 0.00 1.80 1.42 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.35 7.81 26 I 7.73 5.16 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.91 0.00 0.00 27 Y 9.52 4.79 0.00 3.08 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 28 K 8.50 4.46 0.00 1.18 1.43 0.00 1.46 0.00 0.00 1.53 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.14 0.78 7.81 29 G 8.63 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 30 T 8.36 4.52 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 1.20 0.00 0.00 31 P 0.00 4.26 0.00 1.97 1.91 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 32 P 0.00 4.54 0.00 1.98 2.08 0.00 3.42 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.31 0.00 33 T 7.88 4.58 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 34 H 8.62 4.07 0.00 3.12 3.27 0.00 5.75 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 *37 D 8.41 4.72 0.00 2.83 2.86 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 38 N 7.78 5.03 0.00 2.65 2.73 0.00 0.00 6.87 7.95 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 39 W 8.35 4.53 0.00 3.40 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 40 L 6.95 4.90 0.00 1.79 1.67 1.07 1.19 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 41 G 7.48 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 0.00 0.00 0.00 42 R 8.31 4.10 0.00 1.84 1.85 0.00 2.98 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 A 7.76 4.53 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 44 K 7.61 4.25 0.00 1.55 1.50 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.35 7.81 45 K 8.55 4.12 0.00 1.70 1.69 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.40 7.81 46 I 8.14 4.20 1.78 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 1.40 1.14 0.71 0.00 0.00 47 G 7.54 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 0.00 0.00 0.00 0.00 48 D 9.09 4.74 0.00 2.67 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 49 G 8.91 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 50 G 8.75 3.71 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 0.00 0.00 0.00 51 W 7.85 4.55 0.00 3.52 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 52 N 8.19 4.85 0.00 2.83 2.99 0.00 0.00 6.02 7.39 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 53 Q 7.17 3.88 0.00 1.25 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.82 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 54 F 7.23 5.12 0.00 3.23 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 55 Q 9.10 4.13 0.00 1.84 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 56 F 7.99 5.20 0.00 3.38 3.23 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 57 L 8.91 4.63 0.00 1.63 1.59 0.47 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 58 F 8.37 4.94 0.00 3.17 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 59 F 8.88 5.35 0.00 3.06 3.08 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 60 D 10.08 4.79 0.00 3.21 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 61 P 0.00 4.47 0.00 2.16 2.18 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 62 N 8.41 4.64 0.00 3.01 3.16 0.00 0.00 7.11 7.65 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 63 G 8.79 3.97 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 0.00 0.00 0.00 64 Y 8.13 4.49 0.00 3.24 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 65 L 8.84 4.44 0.00 1.14 1.59 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.56 5.20 0.00 1.43 2.24 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 67 A 8.80 5.20 0.62 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 0.00 0.00 68 V 9.00 5.14 2.56 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 1.30 0.00 0.00 1.37 0.00 0.00 69 S 9.12 4.95 0.00 4.17 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 70 K 9.66 4.02 0.00 2.09 2.00 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.51 7.81 71 D 8.70 4.64 0.00 2.90 2.87 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 0.00 0.00 0.00 72 K 8.16 4.52 0.00 1.48 1.73 0.00 1.44 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 73 L 7.70 5.01 0.00 1.93 1.78 1.23 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.16 5.32 0.00 3.13 2.56 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 75 K 8.78 4.94 0.00 1.29 1.37 0.00 1.30 0.00 0.00 1.43 0.00 0.00 2.32 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.08 0.58 7.81 76 A 8.64 4.81 0.96 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 0.00 0.00 77 P 0.00 4.71 0.00 1.97 1.87 0.00 3.75 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 1.99 1.72 0.00 78 P 0.00 4.54 0.00 2.27 2.19 0.00 3.83 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 79 P 0.00 4.71 0.00 2.48 2.47 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 80 Q 8.45 4.34 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 81 S 7.54 4.68 0.00 3.96 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 82 D 8.56 4.77 0.00 2.88 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 83 T 7.50 3.94 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 1.24 0.00 0.00 84 D 7.78 4.24 0.00 2.78 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 85 N 8.61 4.62 0.00 2.75 2.75 0.00 0.00 7.19 7.95 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 86 W 8.70 4.33 0.00 3.66 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 87 I 7.99 2.96 1.58 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.50 0.58 0.00 0.00 88 A 7.56 3.91 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 89 R 7.59 4.18 0.00 1.82 1.96 0.00 3.05 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 1.66 1.49 0.00 90 A 6.88 3.87 0.12 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 91 T 8.56 4.46 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 92 E 8.67 4.90 0.00 1.70 1.60 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 2.18 2.21 0.00 93 I 8.68 4.43 1.88 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 1.26 0.97 0.89 0.00 0.00 94 G 9.24 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 *95 S 8.38 4.40 0.00 3.62 3.61 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 * Residues marked with a * may have inaccurate shift predictions.