NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2409 8.2993 120.1342 56.0507 34.2225 175.3100 3 T 4.3272 7.6505 108.8203 59.9111 70.6661 173.4159 4 Q 4.3679 8.9445 121.7496 53.8628 29.7437 174.7357 5 I 4.1333 7.8001 120.0001 59.9400 37.4161 176.5285 6 T 4.4059 8.7313 117.9820 60.5272 71.6804 175.5576 7 T 3.8695 8.2667 110.8628 65.0633 68.5633 176.6207 8 R 3.9598 7.8965 120.4241 58.9554 30.1676 178.4298 9 D 4.3475 8.0791 118.7932 57.3145 40.7986 178.7091 10 L 3.9940 8.0366 119.4756 57.8877 41.6456 179.8833 11 V 3.4822 7.5989 117.5211 65.9950 31.3822 178.1406 12 L 4.0172 7.9311 118.7744 57.7338 41.3161 179.3563 13 E 3.9739 8.6978 119.1839 59.1898 29.3810 179.0931 14 F 4.1884 8.4136 120.7654 61.4660 39.4134 177.2871 15 I 3.4073 7.8999 119.4127 64.4861 36.8624 177.9201 16 H 4.0696 8.5438 119.1723 59.0564 29.6171 177.1230 17 A 3.7972 8.2183 122.9262 55.1428 18.2386 179.6240 18 L 3.7017 7.5857 117.3581 58.0140 41.4571 179.6038 19 N 4.4754 8.2058 115.7110 55.6156 38.4175 176.5043 20 T 4.2835 7.3560 109.0413 60.2345 69.4170 174.2029 21 E 2.7596 7.4578 118.6050 57.5323 28.0279 176.1359 22 N 4.4468 7.3996 117.4592 52.4233 36.7736 173.7551 23 F 4.2701 7.5234 123.7125 59.4686 39.4245 175.0866 24 P 4.3123 0.0000 0.0000 65.3144 30.9163 178.5128 25 A 3.9945 7.9158 118.3634 55.0309 18.6110 179.1685 26 A 4.1871 8.0495 119.3428 55.3171 18.4866 179.7936 27 K 4.0261 8.3715 118.0395 59.5427 31.9823 179.0970 28 K 4.0737 7.6299 118.1581 59.0001 32.1689 178.0242 29 R 4.2402 8.2217 116.8707 56.7570 30.6135 175.7918 30 L 4.9265 7.3249 118.3985 52.3819 43.6735 176.0378 31 N 4.6809 8.8122 120.9795 52.8104 39.8149 175.3636 32 E 3.9919 9.0528 125.0855 59.1934 29.7341 178.0090 33 N 5.1746 8.4824 114.0298 52.6695 39.1935 174.5454 34 F 4.5446 8.1015 121.2565 59.4521 40.5018 174.0919 35 T 4.8057 7.9169 114.8019 59.6274 71.9556 172.5490 36 F 4.8333 8.5216 125.3233 56.3570 42.5375 173.6162 37 N 4.9822 7.8755 122.3886 51.3675 42.2622 173.8575 38 G 4.2298 8.3889 109.7787 43.2580 0.0000 171.8014 39 P 4.1386 0.0000 0.0000 63.0035 30.9084 176.7550 *41 G 3.9884 7.7889 106.4118 46.4793 0.0000 171.3279 42 H 5.6165 8.8531 117.9046 54.4583 33.1265 173.8350 43 R 4.6866 8.8565 122.5605 54.3054 34.1592 173.8100 44 E 4.5989 9.0711 124.0247 56.2509 31.3889 176.1239 45 G 4.1423 9.4127 115.0808 45.7101 0.0000 174.3168 46 S 4.3070 8.6872 117.1269 61.0449 63.4332 176.2180 47 E 4.0784 8.3715 120.5554 59.1949 29.7435 178.3210 48 R 4.1071 7.9844 118.2292 59.4299 30.0247 178.4383 49 Y 4.0803 7.6302 115.3205 58.2635 38.7298 176.3148 *51 N 4.6496 8.0788 116.8458 53.0273 40.5043 176.9420 52 D 4.1998 7.6065 115.0927 54.7236 40.1340 177.8755 *54 E 2.5400 8.2003 121.9463 55.6242 30.9907 176.4631 55 K 4.0541 7.1210 115.9128 56.8754 31.8893 177.5303 *57 K 4.2205 7.7796 115.9599 56.2246 33.2049 176.5188 58 F 4.7520 7.6729 116.5758 57.6518 40.0178 175.3721 59 K 4.9487 8.1452 122.4595 54.8413 35.5050 174.7527 60 Y 5.0295 9.3417 120.5097 56.1505 41.5378 175.1752 61 V 4.3274 8.8292 123.7737 61.0698 34.1194 174.4187 62 V 4.4186 8.5309 128.8534 62.9927 31.5085 174.9942 63 H 4.7967 9.3781 125.7517 57.5844 30.3125 174.8007 64 K 4.3340 7.4727 115.0008 55.3489 36.6817 175.1205 *66 F 4.7977 8.5063 117.5625 58.0902 40.6333 174.2997 67 E 5.0723 8.6919 120.2487 54.7765 32.7449 175.4673 68 E 4.3897 9.3708 126.6023 55.6173 31.0442 175.3350 69 G 3.9332 8.2764 116.5540 46.8704 0.0000 171.3260 70 N 4.9237 8.5353 120.3057 53.3608 39.9494 174.2967 71 D 5.5393 8.3499 118.6626 52.5079 45.1265 174.9718 72 V 4.8908 9.1043 121.9316 61.2329 34.7144 173.5982 73 C 5.4893 9.1213 127.9218 57.7114 33.7825 172.7341 74 L 4.9059 9.1923 126.5742 53.1787 44.0905 175.4832 75 I 5.0064 8.6454 124.7768 60.0632 38.7418 174.3497 76 Y 5.4509 9.1662 124.6448 55.8077 41.9940 173.5112 77 D 5.0194 9.1449 121.0501 53.4169 43.0157 175.4745 78 I 4.3018 8.5848 124.2426 59.3519 39.7341 175.2131 79 N 5.1854 8.5049 126.3863 51.3396 41.0404 174.4428 *81 N 4.8159 8.3208 116.3043 53.1782 39.7888 175.9806 82 G 3.9571 8.5944 107.4546 44.9545 0.0000 174.2039 83 K 4.3300 7.6813 119.7049 55.3784 33.3794 175.1707 84 T 4.7124 8.2868 120.2926 62.1342 70.0894 174.0810 85 I 4.5379 8.4719 127.2292 59.1662 40.5525 174.5974 86 A 4.8380 8.7017 128.7184 51.6507 19.3623 176.2677 87 A 5.2112 9.4451 123.5999 50.4701 23.8675 174.4216 88 S 5.2440 9.4233 113.5484 56.5031 65.5414 172.9299 89 G 4.6189 9.1832 114.3986 43.4598 0.0000 171.3713 90 L 5.2636 9.1750 128.4515 53.8450 44.0545 174.3879 91 Y 5.1098 9.4918 125.3251 56.6217 40.4399 174.3382 92 H 5.5288 9.2302 124.1556 54.4755 32.4186 173.0930 93 L 5.3897 8.5835 124.8805 53.1991 44.9693 176.0061 94 E 4.6303 9.0575 120.9564 56.1004 33.7533 175.4320 95 K 3.7416 9.6784 120.0036 57.6773 29.7780 176.1173 96 G 3.9593 8.6204 102.8095 45.9776 0.0000 173.7376 97 E 4.8341 7.9334 117.8450 54.0403 33.6260 174.6420 98 I 4.3377 8.6592 123.0837 61.6150 37.8125 176.7361 99 T 4.6156 9.3745 117.8312 62.5114 70.8399 174.4156 100 S 4.5639 7.7875 115.0844 57.0884 66.4431 173.1479 101 L 4.9372 8.1839 122.6987 53.6284 45.5161 174.6201 102 H 4.9218 9.0885 123.4852 53.8232 31.4184 173.0911 103 V 5.0209 8.2608 123.6645 60.0457 34.4352 174.2541 104 Y 4.8312 8.9547 121.7860 56.4809 40.4825 174.7519 105 F 4.9753 8.2352 117.3178 56.5682 40.5945 173.1535 106 D 4.6516 9.1342 119.9418 52.8237 40.7476 174.0530 107 P 5.0059 0.0000 0.0000 63.2766 32.3489 178.0234 108 R 4.1778 8.7191 120.2003 59.4288 29.6593 176.8914 109 P 4.3924 0.0000 0.0000 65.1888 31.0969 178.0805 110 L 4.1736 8.1621 116.6624 56.3104 41.6753 178.0282 111 F 4.5651 8.1955 118.6818 57.5031 39.5742 176.1811 112 E 4.4228 7.7927 118.6099 56.0608 30.8795 180.5739 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 2 K 8.30 4.24 0.00 1.76 1.94 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 3 T 7.65 4.33 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 4 Q 8.94 4.37 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 5 I 7.80 4.13 1.87 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 1.47 0.80 0.91 0.00 0.00 6 T 8.73 4.41 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 1.25 0.00 0.00 7 T 8.27 3.87 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 8 R 7.90 3.96 0.00 1.96 2.00 0.00 3.25 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.29 0.00 9 D 8.08 4.35 0.00 2.96 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 10 L 8.04 3.99 0.00 1.86 1.71 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.60 3.48 1.96 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 0.51 0.00 0.00 0.80 0.00 0.00 12 L 7.93 4.02 0.00 1.73 1.69 0.90 0.98 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 13 E 8.70 3.97 0.00 2.19 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 0.00 2.33 2.51 0.00 14 F 8.41 4.19 0.00 3.12 3.19 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 0.00 15 I 7.90 3.41 1.85 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 1.59 0.76 0.90 0.00 0.00 16 H 8.54 4.07 0.00 3.28 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.22 3.80 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 18 L 7.59 3.70 0.00 1.69 1.80 0.39 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.21 4.48 0.00 2.82 2.86 0.00 0.00 7.02 8.15 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 20 T 7.36 4.28 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 0.97 0.00 0.00 21 E 7.46 2.76 0.00 1.94 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 2.24 2.14 0.00 22 N 7.40 4.45 0.00 2.52 2.50 0.00 0.00 7.29 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 23 F 7.52 4.27 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 24 P 0.00 4.31 0.00 2.16 2.12 0.00 3.76 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 2.13 2.19 0.00 25 A 7.92 3.99 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 26 A 8.05 4.19 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 27 K 8.37 4.03 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 28 K 7.63 4.07 0.00 1.97 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.70 7.81 29 R 8.22 4.24 0.00 2.25 1.92 0.00 3.27 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 30 L 7.32 4.93 0.00 1.63 1.33 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.81 4.68 0.00 2.85 2.80 0.00 0.00 6.70 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.05 3.99 0.00 2.07 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 2.42 2.40 0.00 33 N 8.48 5.17 0.00 2.90 2.83 0.00 0.00 6.98 8.31 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 34 F 8.10 4.54 0.00 3.25 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 35 T 7.92 4.81 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 1.18 0.00 0.00 36 F 8.52 4.83 0.00 2.51 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 4.98 0.00 1.95 2.23 0.00 0.00 6.38 8.40 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 38 G 8.39 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 0.00 0.00 0.00 0.00 39 P 0.00 4.14 0.00 1.75 1.80 0.00 3.34 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.45 0.00 *41 G 7.79 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 0.00 0.00 0.00 42 H 8.85 5.62 0.00 3.03 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.86 4.69 0.00 1.92 1.88 0.00 3.38 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 44 E 9.07 4.60 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 45 G 9.41 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 46 S 8.69 4.31 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 47 E 8.37 4.08 0.00 2.28 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 2.29 1.94 0.00 48 R 7.98 4.11 0.00 2.01 2.12 0.00 3.29 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 49 Y 7.63 4.08 0.00 3.21 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 *51 N 8.08 4.65 0.00 2.86 2.81 0.00 0.00 7.14 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 52 D 7.61 4.20 0.00 2.60 2.39 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 *54 E 8.20 2.54 0.00 1.50 1.71 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 2.19 1.91 0.00 55 K 7.12 4.05 0.00 1.90 1.64 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.47 1.28 7.81 *57 K 7.78 4.22 0.00 1.74 2.04 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.43 7.81 58 F 7.67 4.75 0.00 2.93 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 0.00 0.00 0.00 0.00 59 K 8.15 4.95 0.00 1.52 1.62 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.50 7.81 60 Y 9.34 5.03 0.00 2.75 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 61 V 8.83 4.33 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 0.95 0.00 0.00 0.93 0.00 0.00 62 V 8.53 4.42 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 0.90 0.00 0.00 1.12 0.00 0.00 63 H 9.38 4.80 0.00 3.22 3.37 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.47 4.33 0.00 1.69 1.35 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 *66 F 8.51 4.80 0.00 3.03 3.01 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 67 E 8.69 5.07 0.00 1.89 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 2.50 0.00 68 E 9.37 4.39 0.00 2.05 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 2.21 2.31 0.00 69 G 8.28 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 70 N 8.54 4.92 0.00 2.63 2.86 0.00 0.00 6.63 8.08 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 71 D 8.35 5.54 0.00 2.61 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 72 V 9.10 4.89 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 0.85 0.00 0.00 0.96 0.00 0.00 73 C 9.12 5.49 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 9.19 4.91 0.00 0.93 1.20 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.65 5.01 2.00 0.00 0.00 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 1.59 1.20 1.05 0.00 0.00 76 Y 9.17 5.45 0.00 3.19 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 77 D 9.14 5.02 0.00 2.65 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 78 I 8.58 4.30 1.26 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.47 -0.02 0.00 0.00 79 N 8.50 5.19 0.00 2.62 2.55 0.00 0.00 7.03 6.26 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 *81 N 8.32 4.82 0.00 2.77 2.87 0.00 0.00 7.19 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 82 G 8.59 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 83 K 7.68 4.33 0.00 1.70 1.66 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.35 7.81 84 T 8.29 4.71 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 1.16 0.00 0.00 85 I 8.47 4.54 1.41 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 0.97 0.64 0.59 0.00 0.00 86 A 8.70 4.84 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 87 A 9.45 5.21 1.49 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 0.00 0.00 88 S 9.42 5.24 0.00 3.97 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 89 G 9.18 4.62 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 0.00 90 L 9.17 5.26 0.00 1.89 1.84 0.98 0.78 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 91 Y 9.49 5.11 0.00 2.97 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 92 H 9.23 5.53 0.00 3.27 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.58 5.39 0.00 1.45 1.50 1.01 0.73 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 94 E 9.06 4.63 0.00 2.01 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 2.23 2.30 0.00 95 K 9.68 3.74 0.00 1.89 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.43 7.81 96 G 8.62 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 97 E 7.93 4.83 0.00 2.02 1.88 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 2.23 2.45 0.00 98 I 8.66 4.34 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 1.19 0.00 0.00 99 T 9.37 4.62 4.30 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 1.28 0.00 0.00 100 S 7.79 4.56 0.00 3.64 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 0.00 101 L 8.18 4.94 0.00 1.80 1.58 0.26 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.09 4.92 0.00 3.01 2.76 0.00 5.82 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.26 5.02 2.40 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 1.13 0.00 0.00 1.53 0.00 0.00 104 Y 8.95 4.83 0.00 2.99 2.93 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 0.00 105 F 8.24 4.98 0.00 2.99 3.03 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 0.00 106 D 9.13 4.65 0.00 2.73 2.77 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 0.00 107 P 0.00 5.01 0.00 2.61 2.34 0.00 3.82 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 2.22 2.01 0.00 108 R 8.72 4.18 0.00 2.04 2.12 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 109 P 0.00 4.39 0.00 2.19 2.14 0.00 3.79 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 2.18 2.24 0.00 110 L 8.16 4.17 0.00 1.37 1.47 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.20 4.57 0.00 3.16 3.11 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 0.00 112 E 7.79 4.42 0.00 2.09 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 0.00 2.09 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.