NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 I 4.1339 8.0249 118.5446 60.0567 36.2014 174.2646 -5 H 4.5449 8.6177 124.1005 53.0513 30.0352 173.2535 -4 H 4.5597 9.4962 122.9038 54.4054 30.7075 173.4948 -3 H 4.4071 8.5280 123.2016 54.3234 28.2546 175.2385 -2 H 4.3439 8.4248 123.0405 55.6685 28.1476 175.7608 -1 H 4.8208 8.1279 123.7301 53.8900 27.7734 175.9588 0 H 4.2769 8.0467 118.6120 55.8942 28.5234 176.5501 -4 E 4.1797 9.4962 124.9038 56.0054 31.6075 175.9948 -3 E 4.0271 8.5280 125.2016 55.9234 29.1546 177.7385 -2 L 3.9539 8.1648 126.6405 55.7685 41.5476 179.2608 -1 L 4.4308 7.8679 127.3302 53.9900 41.1734 179.4588 0 D 4.1869 7.9667 120.8120 55.0942 40.6234 178.7501 7 I 3.8917 7.6760 119.7823 64.4035 37.1698 178.3705 8 L 4.0396 7.7749 119.3083 57.8328 41.3703 179.6246 9 R 4.1753 8.0453 117.5752 59.3365 30.1100 178.7645 10 E 3.9769 8.2353 117.9268 59.3174 29.6890 179.0640 11 F 4.0137 8.3207 120.6121 61.1951 39.4479 177.0989 12 R 3.9899 8.4706 118.3238 59.8061 30.0307 178.2450 13 D 4.3189 8.3985 118.6786 57.1383 40.6583 178.9500 14 S 4.0956 7.9000 114.8788 60.5549 62.8259 175.7357 15 R 3.9591 6.7998 117.2425 54.1836 30.7708 175.9338 16 G 3.9100 7.4268 106.7077 46.7624 0.0000 174.3864 17 W 5.1846 8.1548 117.0354 56.1143 30.4440 178.5378 18 L 3.8781 8.0307 122.0408 57.7850 41.6244 178.9704 19 K 3.9072 7.9769 116.4084 59.4547 32.4407 177.1944 20 Y 4.3123 7.6782 116.1269 59.8391 38.7659 175.7766 21 H 4.7064 7.9591 119.2090 55.3280 27.8588 175.9230 22 T 4.2333 7.4202 111.3946 60.7035 71.4739 173.3104 23 P 4.2533 0.0000 0.0000 65.8817 31.3875 178.9625 24 K 3.9603 7.9841 117.7747 59.5226 32.1884 178.4139 25 N 4.3211 8.0673 116.4233 56.3049 38.3600 177.4355 26 L 3.9047 8.0779 120.1914 57.5584 41.7713 179.2816 27 A 3.9656 8.1459 120.8608 55.1693 18.2505 179.8773 28 V 3.5145 8.1786 117.1865 66.1908 31.5525 178.5018 29 S 3.7584 7.9206 114.9940 61.3626 62.3905 176.7439 30 I 3.7789 7.8856 122.7728 64.3063 36.7089 178.3106 31 S 4.0568 8.0750 113.9874 61.4409 62.0719 176.3043 32 I 3.6667 7.8346 122.4289 64.5280 36.8582 178.3529 33 E 4.0488 8.2065 119.6574 59.3604 29.2428 179.8345 34 V 3.7067 8.1589 119.0625 64.5736 31.3387 178.3018 35 A 3.9910 7.8736 121.5351 54.8856 17.9557 179.4130 36 E 3.9286 7.7605 116.5201 59.1242 29.6306 178.9878 37 L 4.1296 7.8769 120.7020 58.1870 42.2218 178.9765 38 L 4.0851 8.2786 119.3548 57.7870 41.5728 178.9741 39 E 3.8722 8.4173 119.3714 59.4262 29.2124 178.9590 40 I 3.5662 7.2926 119.1487 63.4567 37.4301 177.3290 41 F 4.6867 7.8180 116.2684 57.0975 38.8508 177.2882 42 Q 3.4622 7.2807 120.4082 58.8827 28.8516 178.3501 43 W 5.0073 7.7148 114.5877 56.4282 29.4799 176.6567 44 T 4.3207 7.7170 109.0237 62.2237 68.5308 174.2658 45 R 4.7029 9.0115 121.5250 55.3555 31.6516 176.0309 46 S 4.6773 7.6006 111.8480 56.1965 66.4773 175.6883 47 S 4.1662 8.6709 118.8899 61.8482 62.1128 176.3734 48 D 4.5186 8.2008 121.8757 57.4293 40.6199 178.3931 49 E 4.1044 8.3105 119.5666 59.1815 29.4933 178.6001 50 E 4.1369 8.3107 118.9068 59.5764 29.5151 179.3347 51 F 4.1844 8.1691 117.5948 60.0917 38.9328 177.8025 52 E 4.0589 7.9799 117.7381 59.2894 29.2559 179.3440 53 V 3.5663 8.1075 118.4590 65.8127 31.3853 177.5926 54 L 4.0842 8.3126 121.7246 59.0332 41.9707 179.2566 55 E 4.2602 8.1987 119.2179 61.9497 29.8054 181.4847 56 R 4.3941 8.0119 120.7571 59.9732 29.8760 179.0864 57 R 4.8392 8.2854 118.4224 55.0906 31.2950 177.9890 58 K 3.9949 8.4972 120.6596 59.8259 32.2170 177.4076 59 G 3.6341 8.0732 105.2319 47.9540 0.0000 175.3365 60 E 3.9628 8.0440 120.5185 59.0061 29.5203 179.4124 61 V 3.5753 7.7309 118.3351 65.9275 31.6391 177.5295 62 E 3.9000 8.3840 119.2698 59.3652 29.3545 178.4761 63 E 3.9165 8.0897 119.0130 59.4589 29.7182 178.7052 64 E 4.0013 8.1744 118.4025 59.1922 29.4721 179.3727 65 I 3.6996 8.0496 120.0031 64.2348 37.1307 178.2315 66 A 3.9532 8.0357 121.5666 55.2515 18.3204 179.3994 67 D 4.2134 8.3152 117.5735 57.4009 40.9320 179.1253 68 V 3.6759 7.9453 118.7130 66.0719 31.5050 177.8297 69 L 3.9563 8.0289 119.9543 58.0492 41.9026 178.6865 70 I 3.3885 7.9820 120.1777 64.8839 37.1103 178.1068 71 Y 4.5319 7.7432 116.6790 60.8683 37.6387 178.2393 72 L 4.0611 8.1819 121.5975 58.1983 42.2200 179.0917 73 L 4.0307 8.3458 119.4047 57.7121 41.6138 179.4150 74 F 4.5925 8.3187 117.9282 60.5204 38.7363 177.5094 75 L 4.0781 8.3302 120.1001 58.3558 41.8520 178.6482 76 C 4.1403 8.3308 116.7928 62.8226 27.8936 175.7235 77 D 4.3473 8.3478 119.4747 57.6657 40.7243 178.8549 78 V 3.7011 7.7222 111.0007 63.8255 31.6580 177.6026 79 A 4.2964 8.3839 118.4164 51.2032 19.7809 176.4930 80 E 3.7606 7.6692 116.1530 57.7055 27.5374 174.8908 81 I 4.3771 7.9684 117.9171 59.3517 40.0956 176.2948 82 N 4.6484 8.5755 123.5240 52.0199 39.4854 173.9061 83 P 4.3127 0.0000 0.0000 65.8254 31.5338 178.5337 84 I 3.7012 7.8199 119.2760 64.3142 37.1188 177.8397 85 E 3.9803 8.3887 119.4726 58.8561 29.4300 178.5183 86 A 3.9757 8.1215 121.1033 55.1641 18.2287 179.7703 87 V 3.5288 7.6779 115.2824 66.0441 31.7075 177.9355 88 K 4.0873 7.8047 116.8381 59.7541 32.2344 179.2112 89 R 4.1291 8.1557 118.2261 58.8528 29.9098 179.3787 90 K 3.9227 7.9912 118.1444 56.8630 31.7442 178.4097 *92 E 4.2896 8.1896 118.9805 55.8042 31.8788 178.2706 93 K 3.9846 8.1106 119.2982 59.6341 32.1261 178.6544 94 N 4.3752 8.6154 117.1970 56.3594 37.8681 177.2277 95 E 3.9678 8.1491 119.5660 59.4539 29.3870 179.2944 96 R 4.1641 7.6867 118.4124 59.1350 30.2907 179.3478 97 K 4.3109 7.8728 122.7879 58.0416 33.1752 180.8539 *98 Y 4.7563 7.6986 117.3452 55.3363 37.1886 173.6694 99 P 4.7206 0.0000 0.0000 61.1519 32.7684 177.0119 100 K 4.1695 8.4173 118.2339 56.9435 31.9704 177.3065 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 -6 I 8.02 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 1.41 1.21 0.91 0.00 0.00 -5 H 8.62 4.54 0.00 3.22 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 9.50 4.56 0.00 3.04 3.07 0.00 5.69 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 -3 H 8.53 4.41 0.00 3.13 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.42 4.34 0.00 3.04 2.98 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.13 4.82 0.00 3.13 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.05 4.28 0.00 3.17 3.30 0.00 5.73 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 E 9.50 4.18 0.00 1.81 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 2.20 2.23 0.00 -3 E 8.53 4.03 0.00 1.90 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 2.24 2.25 0.00 -2 L 8.16 3.95 0.00 1.37 1.44 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 -1 L 7.87 4.43 0.00 1.46 1.68 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0 D 7.97 4.19 0.00 2.60 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 7 I 7.68 3.89 1.99 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 1.64 0.71 0.89 0.00 0.00 8 L 7.77 4.04 0.00 1.59 0.90 0.42 0.59 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 9 R 8.05 4.18 0.00 2.07 2.06 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 10 E 8.24 3.98 0.00 2.24 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 0.00 2.42 2.52 0.00 11 F 8.32 4.01 0.00 3.19 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 12 R 8.47 3.99 0.00 2.21 2.31 0.00 2.99 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 13 D 8.40 4.32 0.00 2.79 2.67 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 14 S 7.90 4.10 0.00 3.67 3.74 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 15 R 6.80 3.96 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.85 0.00 16 G 7.43 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 0.00 0.00 0.00 17 W 8.15 5.18 0.00 3.32 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 18 L 8.03 3.88 0.00 1.87 1.66 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.98 3.91 0.00 1.67 1.81 0.00 1.32 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.15 0.55 7.81 20 Y 7.68 4.31 0.00 3.15 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 21 H 7.96 4.71 0.00 3.30 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.42 4.23 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 1.22 0.00 0.00 23 P 0.00 4.25 0.00 2.19 2.17 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 24 K 7.98 3.96 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 25 N 8.07 4.32 0.00 3.09 2.83 0.00 0.00 7.04 6.04 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 26 L 8.08 3.90 0.00 1.74 1.78 1.06 0.52 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 27 A 8.15 3.97 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 28 V 8.18 3.51 2.20 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 1.02 0.00 0.00 0.93 0.00 0.00 29 S 7.92 3.76 0.00 3.39 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 30 I 7.89 3.78 1.99 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 1.54 0.87 0.95 0.00 0.00 31 S 8.08 4.06 0.00 3.87 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 32 I 7.83 3.67 1.93 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 1.47 1.28 0.88 0.00 0.00 33 E 8.21 4.05 0.00 2.10 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 2.67 2.84 0.00 34 V 8.16 3.71 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 1.00 0.00 0.00 0.93 0.00 0.00 35 A 7.87 3.99 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 36 E 7.76 3.93 0.00 2.18 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 2.34 2.54 0.00 37 L 7.88 4.13 0.00 1.81 1.90 1.03 0.71 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 38 L 8.28 4.09 0.00 1.94 1.68 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.42 3.87 0.00 2.12 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 2.40 2.48 0.00 40 I 7.29 3.57 1.39 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 1.37 0.69 0.40 0.00 0.00 41 F 7.82 4.69 0.00 2.99 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 42 Q 7.28 3.46 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 7.23 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 43 W 7.71 5.01 0.00 3.33 3.16 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 44 T 7.72 4.32 4.34 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 1.40 0.00 0.00 45 R 9.01 4.70 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 46 S 7.60 4.68 0.00 4.17 3.94 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 47 S 8.67 4.17 0.00 4.21 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 48 D 8.20 4.52 0.00 2.85 2.82 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 49 E 8.31 4.10 0.00 2.12 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 2.39 2.41 0.00 50 E 8.31 4.14 0.00 2.11 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 2.33 2.57 0.00 51 F 8.17 4.18 0.00 3.07 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 52 E 7.98 4.06 0.00 2.30 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 2.41 2.67 0.00 53 V 8.11 3.57 2.28 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 0.76 0.00 0.00 1.01 0.00 0.00 54 L 8.31 4.08 0.00 1.94 2.03 1.06 1.09 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 55 E 8.20 4.26 0.00 2.13 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 2.26 2.19 0.00 56 R 8.01 4.39 0.00 1.92 1.88 0.00 3.17 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 57 R 8.29 4.84 0.00 1.72 1.89 0.00 3.03 0.00 0.00 2.92 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 58 K 8.50 3.99 0.00 1.99 1.83 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.56 7.81 59 G 8.07 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 0.00 0.00 0.00 60 E 8.04 3.96 0.00 2.11 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 2.37 2.33 0.00 61 V 7.73 3.58 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 1.18 0.00 0.00 0.99 0.00 0.00 62 E 8.38 3.90 0.00 2.23 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 2.32 0.00 63 E 8.09 3.92 0.00 2.10 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 2.30 2.34 0.00 64 E 8.17 4.00 0.00 2.07 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 2.54 2.62 0.00 65 I 8.05 3.70 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.91 0.00 0.00 66 A 8.04 3.95 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 D 8.32 4.21 0.00 2.89 2.91 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 68 V 7.95 3.68 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 1.03 0.00 0.00 1.07 0.00 0.00 69 L 8.03 3.96 0.00 1.78 1.74 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.98 3.39 1.69 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.45 0.45 0.00 0.00 71 Y 7.74 4.53 0.00 3.12 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 72 L 8.18 4.06 0.00 1.97 1.85 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.35 4.03 0.00 1.63 1.58 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.32 4.59 0.00 3.35 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 75 L 8.33 4.08 0.00 1.95 1.93 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.33 4.14 0.00 3.23 3.18 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 0.00 0.00 0.00 0.00 77 D 8.35 4.35 0.00 3.04 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 78 V 7.72 3.70 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 0.96 0.00 0.00 1.10 0.00 0.00 79 A 8.38 4.30 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 80 E 7.67 3.76 0.00 2.09 2.02 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 2.28 2.28 0.00 81 I 7.97 4.38 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.93 0.00 0.00 82 N 8.58 4.65 0.00 2.75 2.72 0.00 0.00 6.97 7.71 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 83 P 0.00 4.31 0.00 2.31 2.30 0.00 3.76 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 84 I 7.82 3.70 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 0.93 0.00 0.00 85 E 8.39 3.98 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 2.31 2.37 0.00 86 A 8.12 3.98 1.42 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 87 V 7.68 3.53 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 0.87 0.00 0.00 1.01 0.00 0.00 88 K 7.80 4.09 0.00 1.94 1.87 0.00 1.76 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 1.49 1.66 7.81 89 R 8.16 4.13 0.00 1.95 1.98 0.00 3.29 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 90 K 7.99 3.92 0.00 1.88 1.89 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 *92 E 8.19 4.29 0.00 2.34 2.02 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 2.30 2.31 0.00 93 K 8.11 3.98 0.00 1.84 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 94 N 8.62 4.38 0.00 2.74 2.85 0.00 0.00 7.06 7.32 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 95 E 8.15 3.97 0.00 2.17 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 2.40 2.35 0.00 96 R 7.69 4.16 0.00 1.82 1.98 0.00 3.16 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 97 K 7.87 4.31 0.00 1.90 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *98 Y 7.70 4.76 0.00 2.56 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 99 P 0.00 4.72 0.00 2.04 1.98 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 100 K 8.42 4.17 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.