NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3502 8.4444 116.7550 55.7603 31.7708 174.8725 4 N 4.9706 8.1533 117.0434 52.3077 41.7604 171.9467 5 K 4.4917 8.6918 121.0601 55.7677 33.3062 175.8870 6 L 4.4944 7.6239 121.2874 54.0918 44.8037 176.0678 7 D 4.8593 8.6319 127.1033 52.6679 40.6214 174.1194 8 Y 4.6305 7.8164 120.3277 56.0498 39.8555 174.7276 9 I 4.0517 8.0453 128.9531 58.5428 37.9580 173.7583 10 P 4.2158 0.0000 0.0000 62.5241 31.7640 177.2861 11 E 4.7368 8.2723 122.2478 53.5219 30.5303 176.2791 12 P 4.4875 0.0000 0.0000 61.8497 31.2573 179.4971 *14 D 4.2657 8.6741 131.9998 55.3908 40.7253 174.2647 15 L 4.5195 8.1567 126.0373 54.3576 42.3477 178.7862 16 S 4.0886 8.0626 114.5995 60.9698 62.6936 175.3153 17 L 4.3586 7.6752 117.6563 54.3675 42.0121 176.3884 18 V 3.7220 7.6748 120.4532 62.5014 31.6412 174.8147 19 D 4.7121 8.6020 127.7221 53.0611 41.5687 176.2436 20 L 4.5796 8.1389 124.1086 52.3824 43.6728 174.7864 21 P 4.3768 0.0000 0.0000 62.4735 32.1286 177.5048 22 E 3.9611 8.9136 122.8049 59.4401 29.3310 179.2719 23 S 4.1273 8.0845 112.9781 61.1121 62.9836 176.0111 24 L 4.1118 7.8187 123.9036 58.0972 42.0831 178.6461 25 I 3.7048 7.7893 119.1735 64.5462 36.7687 178.1400 26 Q 4.0629 8.1528 117.7203 58.1907 28.7957 177.1637 27 L 4.5627 8.0784 116.9106 54.4696 42.3942 178.0446 28 S 4.0928 8.0779 117.7218 62.1016 62.6747 176.7163 29 E 3.9075 8.0789 120.2641 59.3335 29.3984 179.1774 30 R 3.7908 7.8523 118.2310 59.3792 30.1614 178.4984 31 I 3.5940 7.9303 119.4017 64.3362 37.1358 178.0007 32 A 3.9070 8.4656 121.9565 55.2602 18.1048 179.1845 33 E 2.8116 7.7807 117.8194 59.2279 29.6384 178.6917 34 N 4.3604 7.8232 116.4473 56.5691 38.9440 177.0169 35 V 3.6440 7.9528 119.9516 65.9874 31.5386 177.6066 36 H 4.2520 8.4444 118.3848 59.3395 29.7911 177.0169 37 E 4.0546 8.7202 120.9062 59.4378 29.2360 179.7067 38 V 3.5772 7.8696 118.1778 65.7615 31.8075 177.7321 39 W 4.1180 8.2472 127.9572 60.5383 30.3532 177.8127 40 A 3.3424 8.3919 120.5852 54.6418 17.9389 179.4104 41 K 3.7742 8.1067 117.9583 59.6559 32.0643 178.6235 42 A 3.9194 7.6817 119.5422 55.2939 18.5221 179.3123 43 R 3.7660 7.2642 116.4422 59.3935 29.9427 178.6680 44 I 4.2155 8.1945 121.6012 63.9219 36.8747 177.7260 45 D 4.5672 8.0734 117.8024 55.6807 40.9392 176.9462 46 E 4.6513 8.1775 119.8562 56.3290 30.7952 178.1534 47 G 3.9688 7.9008 108.2368 45.4342 0.0000 175.1179 48 W 4.5296 7.6739 120.4965 57.3891 30.5834 175.2205 49 T 4.9903 8.8830 111.7860 60.2585 72.2034 172.3676 50 Y 4.8038 8.8041 122.8120 58.3520 40.0827 174.8723 51 G 3.9185 7.0276 108.5152 44.9684 0.0000 173.7836 52 E 4.0206 8.9275 125.8845 57.6920 29.7835 176.4558 53 K 4.6129 7.2443 117.0637 54.2824 35.8958 175.8857 54 R 4.4822 8.5201 125.2629 55.6520 30.6283 174.9112 55 D 4.8733 8.7006 126.7929 52.6640 43.6428 176.2556 56 D 4.5124 9.0660 126.1514 57.6092 41.1472 178.4426 57 I 3.8757 7.6019 116.8046 62.8619 37.6771 176.3488 58 H 4.2871 7.9780 115.1075 55.2828 29.7408 174.6606 59 K 2.0000 6.9992 118.4051 56.6202 29.2978 174.8813 60 K 5.6044 8.3184 118.3004 53.9589 35.8747 175.9148 61 H 5.0007 8.5056 121.2744 54.5944 32.6420 172.0903 62 P 4.3335 0.0000 0.0000 64.2794 31.4300 176.3148 63 C 4.6589 8.3243 115.6711 59.9952 29.0811 174.2089 64 L 4.7375 7.8703 122.2492 54.2271 39.9877 175.6884 65 V 4.6450 7.2797 111.0654 58.2861 36.3128 174.2910 66 P 4.3980 0.0000 0.0000 63.1820 31.7714 176.9556 67 Y 3.8378 8.4561 122.4650 60.9740 38.8108 178.6516 68 D 4.3175 8.1270 118.1270 56.9999 41.1066 176.6406 69 E 4.3700 8.0263 116.9453 56.2015 29.4076 176.4484 70 L 4.1778 7.0982 119.5362 53.2535 42.5141 175.3026 71 P 4.2299 0.0000 0.0000 62.6248 31.9848 176.8657 72 E 3.7960 9.0300 123.2323 59.6968 29.3181 178.7275 73 E 3.9216 8.1574 118.5270 59.4424 29.5939 178.6041 74 E 3.9395 8.2514 118.5861 59.2476 29.4482 179.4567 75 K 3.9436 7.8539 118.1200 59.2472 32.1507 178.7067 76 E 3.9212 8.5081 119.9562 59.4416 29.5819 178.0366 77 Y 3.9232 7.9203 119.2542 61.0526 38.9901 177.7712 78 D 4.5057 8.5553 119.7439 57.7295 40.7390 179.3810 79 R 3.9567 8.0643 117.3892 59.3196 30.1881 178.4911 80 N 4.4174 7.9184 115.2331 56.5638 38.6858 177.3218 81 T 3.9103 7.8768 116.9601 66.2664 68.4301 176.9905 82 A 4.2515 7.6037 118.8261 52.8716 18.1781 178.8836 *84 N 4.5229 8.0515 118.6055 55.2136 40.6298 176.9882 85 T 3.9252 8.0467 113.2444 66.8714 68.8568 176.0341 86 I 3.8637 7.7814 121.9192 64.2834 37.3530 179.2614 87 K 3.8891 7.5586 118.2527 56.6111 31.2110 179.3326 *89 V 3.9102 7.9736 119.0445 62.8904 33.3832 177.1950 90 K 4.4428 7.9531 121.5317 58.9961 31.7016 178.6377 91 K 4.0807 8.3304 119.3357 59.1397 32.1469 177.9498 92 L 4.4873 7.4409 116.7362 54.7869 41.4971 177.1810 93 G 3.8359 8.1633 106.7952 45.8590 0.0000 173.4169 94 F 4.7033 8.1812 117.3720 54.9417 41.1757 175.6878 95 R 4.2427 8.5045 124.1778 56.1213 30.6225 176.1081 96 I 4.6370 8.1967 121.8301 59.5597 40.0874 174.8594 97 E 4.7156 8.4526 123.5699 54.2456 33.5085 175.0676 98 K 4.1327 8.4694 123.7626 56.2026 33.0109 176.2456 99 E 4.2597 8.5016 125.2930 55.9137 30.3531 176.5521 100 D 4.5163 8.6127 121.8296 54.7067 40.9252 176.2235 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 E 8.44 4.35 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 2.13 1.88 0.00 4 N 8.15 4.97 0.00 2.70 2.69 0.00 0.00 7.15 5.80 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 5 K 8.69 4.49 0.00 1.77 1.80 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.47 7.81 6 L 7.62 4.49 0.00 1.45 1.55 0.97 1.13 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 7 D 8.63 4.86 0.00 2.65 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 8 Y 7.82 4.63 0.00 2.84 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 9 I 8.05 4.05 1.82 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 1.36 0.72 0.83 0.00 0.00 10 P 0.00 4.22 0.00 1.88 1.85 0.00 3.30 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.09 0.00 11 E 8.27 4.74 0.00 1.91 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 2.17 2.41 0.00 12 P 0.00 4.49 0.00 2.02 1.25 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 *14 D 8.67 4.27 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.52 0.00 1.73 1.65 0.93 0.82 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 16 S 8.06 4.09 0.00 4.00 4.04 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 0.00 0.00 0.00 17 L 7.68 4.36 0.00 1.63 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.67 3.72 2.17 0.00 0.00 0.00 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 0.93 0.00 0.00 19 D 8.60 4.71 0.00 2.70 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 0.00 0.00 0.00 0.00 20 L 8.14 4.58 0.00 1.62 1.58 0.91 1.11 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 21 P 0.00 4.38 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 22 E 8.91 3.96 0.00 2.03 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 2.37 2.37 0.00 23 S 8.08 4.13 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.11 0.00 1.79 1.86 0.91 0.97 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 25 I 7.79 3.70 1.87 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 1.63 0.90 0.90 0.00 0.00 26 Q 8.15 4.06 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 27 L 8.08 4.56 0.00 1.79 1.64 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.08 4.09 0.00 3.89 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 29 E 8.08 3.91 0.00 1.98 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 2.46 2.36 0.00 30 R 7.85 3.79 0.00 1.88 2.07 0.00 3.20 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 31 I 7.93 3.59 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 0.87 0.00 0.00 32 A 8.47 3.91 1.34 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 0.00 0.00 33 E 7.78 2.81 0.00 1.16 1.77 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 2.20 2.24 0.00 34 N 7.82 4.36 0.00 2.85 2.75 0.00 0.00 6.91 7.45 0.00 0.00 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 V 7.95 3.64 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 0.97 0.00 0.00 0.91 0.00 0.00 36 H 8.44 4.25 0.00 3.43 3.65 0.00 5.85 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 37 E 8.72 4.05 0.00 2.16 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 2.67 2.51 0.00 38 V 7.87 3.58 2.29 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 1.02 0.00 0.00 1.04 0.00 0.00 39 W 8.25 4.12 0.00 3.41 3.31 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 0.00 0.00 0.00 0.00 40 A 8.39 3.34 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 K 8.11 3.77 0.00 1.89 1.80 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 42 A 7.68 3.92 1.24 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 0.00 0.00 43 R 7.26 3.77 0.00 1.02 1.08 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.61 0.00 44 I 8.19 4.22 1.88 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 1.55 1.61 0.93 0.00 0.00 45 D 8.07 4.57 0.00 2.82 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 46 E 8.18 4.65 0.00 2.42 2.11 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 2.30 2.54 0.00 47 G 7.90 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 48 W 7.67 4.53 0.00 3.24 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 49 T 8.88 4.99 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 1.26 0.00 0.00 50 Y 8.80 4.80 0.00 3.21 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 51 G 7.03 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 52 E 8.93 4.02 0.00 2.03 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 2.31 2.35 0.00 53 K 7.24 4.61 0.00 1.72 1.56 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 54 R 8.52 4.48 0.00 1.75 1.80 0.00 3.08 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 55 D 8.70 4.87 0.00 2.85 2.47 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 56 D 9.07 4.51 0.00 2.88 2.74 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 57 I 7.60 3.88 1.76 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 1.35 0.46 0.78 0.00 0.00 58 H 7.98 4.29 0.00 3.34 3.23 0.00 5.86 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 59 K 7.00 2.00 0.00 1.56 0.74 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.75 7.81 60 K 8.32 5.60 0.00 1.82 1.74 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 61 H 8.51 5.00 0.00 3.25 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.33 0.00 2.24 2.14 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 63 C 8.32 4.66 0.00 3.06 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 64 L 7.87 4.74 0.00 2.02 1.85 1.05 0.67 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 65 V 7.28 4.65 2.25 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 0.75 0.00 0.00 1.04 0.00 0.00 66 P 0.00 4.40 0.00 2.20 2.05 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 67 Y 8.46 3.84 0.00 2.84 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 68 D 8.13 4.32 0.00 2.73 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 69 E 8.03 4.37 0.00 2.05 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 2.29 2.26 0.00 70 L 7.10 4.18 0.00 1.45 1.26 0.85 0.98 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 71 P 0.00 4.23 0.00 2.12 1.95 0.00 3.53 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 2.07 2.06 0.00 72 E 9.03 3.80 0.00 2.03 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 2.44 0.00 73 E 8.16 3.92 0.00 2.06 1.91 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 2.36 2.42 0.00 74 E 8.25 3.94 0.00 2.04 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 2.24 2.39 0.00 75 K 7.85 3.94 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.50 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.69 1.34 7.81 76 E 8.51 3.92 0.00 2.24 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 2.32 2.33 0.00 77 Y 7.92 3.92 0.00 3.16 3.09 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 0.00 0.00 0.00 78 D 8.56 4.51 0.00 3.08 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 79 R 8.06 3.96 0.00 1.80 1.99 0.00 3.20 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 80 N 7.92 4.42 0.00 2.66 2.76 0.00 0.00 7.11 7.41 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 81 T 7.88 3.91 4.13 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 1.14 0.00 0.00 82 A 7.60 4.25 1.32 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 0.00 0.00 *84 N 8.05 4.52 0.00 3.01 2.86 0.00 0.00 7.02 7.05 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 85 T 8.05 3.93 4.39 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 1.17 0.00 0.00 86 I 7.78 3.86 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.89 0.00 0.00 87 K 7.56 3.89 0.00 2.07 1.81 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.36 7.81 *89 V 7.97 3.91 2.22 0.00 0.00 0.00 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 0.86 0.00 0.00 90 K 7.95 4.44 0.00 1.91 1.95 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 91 K 8.33 4.08 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.54 7.81 92 L 7.44 4.49 0.00 1.97 1.89 0.96 1.20 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 93 G 8.16 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 0.00 0.00 0.00 94 F 8.18 4.70 0.00 3.25 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 95 R 8.50 4.24 0.00 1.83 1.88 0.00 3.15 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 96 I 8.20 4.64 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.92 0.00 0.00 97 E 8.45 4.72 0.00 1.90 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 2.30 0.00 98 K 8.47 4.13 0.00 1.71 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.46 7.81 99 E 8.50 4.26 0.00 2.00 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 2.31 2.33 0.00 100 D 8.61 4.52 0.00 2.65 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 * Residues marked with a * may have inaccurate shift predictions.