NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5827 8.2233 120.2799 52.8033 41.6385 177.0779 4 Y 4.4344 7.5926 119.1203 60.9501 38.3136 176.5704 5 S 4.2962 8.6812 117.1282 62.2587 63.9615 176.4238 6 E 4.2269 7.7760 113.7817 57.6346 29.7623 180.6687 7 L 4.1679 8.1347 118.9126 55.2786 41.9658 177.8731 8 E 3.9687 8.8602 124.5340 58.5888 29.8203 177.9519 9 I 3.8083 7.4786 111.3547 63.5938 38.0476 176.9726 10 F 4.6974 8.2099 119.7381 57.5210 39.3307 177.0289 11 E 3.8602 9.3437 116.4836 56.6820 27.0699 174.0544 12 G 4.2021 7.9089 108.5819 45.5973 0.0000 174.3979 13 N 4.8962 7.8314 119.3674 51.0182 38.1870 172.9285 14 P 4.3903 0.0000 0.0000 65.4358 31.7320 178.5056 15 L 4.2920 8.0560 123.5451 59.9325 40.9816 183.2145 *16 D 4.5908 8.3881 121.0966 58.6250 39.7252 181.8898 17 K 4.3547 7.9201 119.8356 58.8783 32.0307 179.3821 18 W 4.1601 8.7407 129.1772 60.5357 30.6798 177.6693 19 N 4.1302 9.1398 116.7912 56.4463 38.0686 176.6573 20 D 4.4393 8.0574 118.7952 57.5252 41.2449 178.5844 21 I 3.6376 7.6530 119.9846 64.4922 36.9412 178.2616 22 I 3.2140 6.8066 120.5266 63.5089 36.8271 177.9676 23 F 4.3311 7.5815 116.6355 59.1548 39.1038 176.8114 24 H 4.8801 7.8271 113.1128 54.8286 29.8121 174.7727 25 A 4.3380 7.8392 124.3090 50.7276 19.4177 177.7698 26 S 4.2968 8.5180 116.8499 59.3578 64.6591 176.3720 27 K 3.8830 8.6215 128.3910 59.7186 31.4438 178.9452 28 K 4.0143 8.0308 119.8160 59.6992 32.0182 178.7033 29 L 3.9558 7.5130 117.9085 57.9040 41.0447 179.7456 30 S 3.9650 8.1145 115.1126 61.5149 62.7337 176.9631 31 K 4.0303 8.5500 124.0287 59.8139 31.8268 180.1285 32 K 3.9197 8.0132 123.9589 59.8446 31.5208 180.6630 33 E 4.1560 8.3829 121.1662 59.0846 29.5222 178.9177 34 L 4.0721 8.1726 119.3309 57.8214 41.6060 179.1535 35 E 3.9300 8.2678 119.2998 58.9864 29.4826 178.9182 36 R 3.8750 7.7919 118.6205 59.3858 30.1716 178.5493 37 L 4.0482 7.9712 118.8324 57.6183 41.5217 179.4741 38 L 3.9990 8.2165 119.2525 57.8028 41.5054 179.1197 39 E 3.9779 8.5923 121.9157 59.7091 29.4438 179.5192 40 L 3.9647 7.9168 122.3963 59.4648 40.9697 181.2025 41 L 4.1170 8.0824 121.5380 57.7876 41.9695 178.9540 42 A 4.0350 8.4372 123.4254 55.6326 18.3422 180.2341 43 L 3.9368 8.1857 121.1515 59.6916 40.7257 180.6465 44 C 4.2526 8.3274 122.6394 63.1045 31.5592 176.2884 45 E 3.9026 8.3499 119.8142 61.4705 29.3023 181.0993 46 T 4.1931 8.1241 116.9924 66.2783 68.3625 176.6401 47 F 4.1937 8.3183 122.7245 61.4040 39.4228 177.2815 48 I 3.4330 7.4340 119.1709 64.2941 36.6664 178.2678 49 E 4.3071 7.7019 119.3942 58.3301 29.1316 179.1299 50 K 3.8752 7.8788 119.1422 59.1105 32.3916 177.8226 51 E 3.8717 7.9113 117.2000 55.3601 30.9267 174.9845 52 D 4.4527 7.2553 116.3138 55.5137 39.6287 173.0945 53 L 4.7437 8.3757 117.2423 53.7511 43.8405 178.7811 54 E 4.0642 8.3095 119.3268 59.7413 29.0634 179.2137 55 E 4.0744 8.0857 118.7467 59.4389 29.5632 179.2098 56 K 4.1373 8.0309 117.9302 59.2533 32.0709 179.1161 57 F 4.4981 8.8938 124.1289 61.8310 39.2173 177.8709 58 E 3.9905 8.2342 118.1363 60.8391 29.4478 181.1416 59 S 4.4815 7.7822 112.9123 60.6911 63.1602 176.4783 60 F 4.1265 7.6002 122.5027 61.1133 39.5343 176.7317 61 A 3.8914 8.2879 123.3726 55.5648 17.5998 180.4135 62 K 3.9719 7.8432 121.9017 59.5396 31.8278 181.5948 63 A 4.1661 7.7439 120.2290 54.7275 17.9236 179.3286 64 L 3.7709 7.0888 120.3726 59.1167 42.1557 179.8057 65 R 4.0808 7.6150 121.0482 61.4207 29.3449 179.9034 66 I 4.2908 7.5569 114.0828 60.2378 37.1087 177.9986 67 D 4.7042 8.0629 122.0672 53.7531 41.4709 177.5597 68 E 4.0660 8.6726 126.9537 61.0074 29.8526 175.2837 69 E 4.1554 8.2224 118.0907 59.4722 29.5545 178.9780 70 L 3.9624 7.6989 119.1571 57.9996 42.0530 178.7407 71 Q 3.9093 8.0088 118.1820 59.1285 28.6088 178.9320 72 Q 3.9355 7.8943 120.2816 58.8617 28.9401 177.8152 73 K 3.8995 7.8606 120.2390 59.6098 32.1429 178.9037 74 I 3.7700 8.0199 120.1707 64.4761 37.0824 178.1385 75 E 3.9080 7.9396 119.1177 59.4403 29.2317 179.4915 76 S 4.0321 8.2272 113.1684 61.4389 62.5269 176.2879 77 R 3.9015 7.7305 121.3390 59.0964 29.7313 178.3821 78 K 3.7494 8.1475 118.5091 59.8406 32.0551 179.2208 79 T 3.6885 7.7154 115.6345 66.6884 68.4367 176.3280 80 D 4.2986 7.9252 120.5405 57.4143 40.8036 178.8562 81 I 3.5744 8.0729 120.4577 64.4033 37.0802 178.5189 82 V 2.9732 7.5788 118.9503 65.9151 31.1987 178.0779 83 I 3.6300 7.6745 119.3956 64.4670 36.9762 178.2683 84 Q 3.9355 7.9509 120.2496 59.0341 28.8757 178.0053 85 S 4.5139 8.2263 115.7504 61.2639 62.4619 176.1479 86 M 4.1781 8.5049 121.1349 58.3235 31.6407 178.5995 87 A 4.0226 8.2737 120.9577 55.3156 18.6582 179.3546 88 N 4.2695 8.7083 115.3004 56.5263 38.4776 177.7999 89 I 3.6958 7.8567 121.0035 64.5016 37.0599 178.4856 90 L 3.9837 8.1151 118.7775 57.8325 41.4381 179.3122 91 S 4.3143 8.2116 112.8274 61.2991 62.4529 176.2268 92 G 3.8133 7.7244 106.4882 45.7693 0.0000 173.8318 93 L 3.9704 7.0572 121.8107 54.8518 41.7237 177.1687 94 E 4.2739 8.4975 123.4767 56.2358 30.3529 177.5016 95 H 4.5771 8.3061 118.3358 54.4065 27.2883 175.6071 96 H 4.3786 8.3457 117.9826 55.7245 28.1485 176.2029 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 D 8.22 4.58 0.00 2.79 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 4 Y 7.59 4.43 0.00 3.20 3.14 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 5 S 8.68 4.30 0.00 3.94 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 0.00 6 E 7.78 4.23 0.00 2.06 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 2.26 2.16 0.00 7 L 8.13 4.17 0.00 1.75 1.41 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.86 3.97 0.00 1.89 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 0.00 2.29 2.37 0.00 9 I 7.48 3.81 1.37 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.27 0.76 0.00 0.00 10 F 8.21 4.70 0.00 3.44 3.04 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 11 E 9.34 3.86 0.00 2.19 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 2.24 2.50 0.00 12 G 7.91 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 0.00 0.00 0.00 0.00 13 N 7.83 4.90 0.00 2.71 2.75 0.00 0.00 7.10 7.56 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 14 P 0.00 4.39 0.00 1.87 1.17 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 15 L 8.06 4.29 0.00 1.65 1.68 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *16 D 8.39 4.59 0.00 2.71 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 17 K 7.92 4.35 0.00 2.15 2.08 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.81 1.89 7.81 18 W 8.74 4.16 0.00 3.40 3.41 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 19 N 9.14 4.13 0.00 3.15 3.08 0.00 0.00 6.69 8.22 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 20 D 8.06 4.44 0.00 3.04 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 21 I 7.65 3.64 1.84 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 1.64 0.87 0.80 0.00 0.00 22 I 6.81 3.21 0.85 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 -0.11 0.00 0.00 23 F 7.58 4.33 0.00 2.75 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 24 H 7.83 4.88 0.00 3.19 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.84 4.34 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.52 4.30 0.00 4.04 4.01 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 27 K 8.62 3.88 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.07 7.81 28 K 8.03 4.01 0.00 1.76 1.82 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 29 L 7.51 3.96 0.00 1.84 1.66 0.95 0.88 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 30 S 8.11 3.96 0.00 3.79 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 31 K 8.55 4.03 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 32 K 8.01 3.92 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.32 7.81 33 E 8.38 4.16 0.00 2.15 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 2.37 2.51 0.00 34 L 8.17 4.07 0.00 1.70 1.72 0.76 1.19 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 35 E 8.27 3.93 0.00 2.18 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 2.31 2.32 0.00 36 R 7.79 3.87 0.00 2.07 2.14 0.00 3.15 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 37 L 7.97 4.05 0.00 1.97 1.72 1.11 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.22 4.00 0.00 1.85 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.59 3.98 0.00 2.15 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 2.30 2.33 0.00 40 L 7.92 3.96 0.00 1.71 1.66 0.92 0.52 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 41 L 8.08 4.12 0.00 1.76 1.87 0.95 0.95 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 42 A 8.44 4.03 1.39 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 0.00 0.00 43 L 8.19 3.94 0.00 1.65 1.69 0.92 0.94 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 44 C 8.33 4.25 0.00 3.09 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 45 E 8.35 3.90 0.00 2.01 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 2.24 2.22 0.00 46 T 8.12 4.19 4.40 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 1.23 0.00 0.00 47 F 8.32 4.19 0.00 3.14 3.20 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 0.00 48 I 7.43 3.43 1.58 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.26 0.65 0.00 0.00 49 E 7.70 4.31 0.00 2.02 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 2.44 2.12 0.00 50 K 7.88 3.88 0.00 1.93 1.79 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.59 7.81 51 E 7.91 3.87 0.00 1.42 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 52 D 7.26 4.45 0.00 2.71 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 53 L 8.38 4.74 0.00 1.55 1.58 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.31 4.06 0.00 2.21 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 0.00 2.39 2.39 0.00 55 E 8.09 4.07 0.00 2.05 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 2.41 0.00 56 K 8.03 4.14 0.00 2.08 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.06 7.81 57 F 8.89 4.50 0.00 3.11 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 58 E 8.23 3.99 0.00 1.98 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 2.24 2.19 0.00 59 S 7.78 4.48 0.00 4.17 4.16 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 60 F 7.60 4.13 0.00 3.10 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 61 A 8.29 3.89 0.97 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 62 K 7.84 3.97 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 A 7.74 4.17 1.28 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 0.00 0.00 64 L 7.09 3.77 0.00 1.51 1.78 0.82 0.82 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 65 R 7.62 4.08 0.00 1.97 1.84 0.00 3.30 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 66 I 7.56 4.29 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 1.30 1.17 0.91 0.00 0.00 67 D 8.06 4.70 0.00 2.73 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 68 E 8.67 4.07 0.00 2.01 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 1.97 0.00 69 E 8.22 4.16 0.00 2.16 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 0.00 2.39 2.35 0.00 70 L 7.70 3.96 0.00 1.89 1.51 0.76 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.01 3.91 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 72 Q 7.89 3.94 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 73 K 7.86 3.90 0.00 2.16 1.96 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.36 7.81 74 I 8.02 3.77 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.60 0.89 0.00 0.00 75 E 7.94 3.91 0.00 2.18 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 0.00 2.41 2.45 0.00 76 S 8.23 4.03 0.00 3.88 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 0.00 77 R 7.73 3.90 0.00 1.91 1.90 0.00 3.19 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 1.61 1.65 0.00 78 K 8.15 3.75 0.00 1.93 1.73 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.42 7.81 79 T 7.72 3.69 4.35 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 1.09 0.00 0.00 80 D 7.93 4.30 0.00 2.85 2.70 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 0.00 0.00 0.00 0.00 81 I 8.07 3.57 1.91 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 1.34 0.64 0.73 0.00 0.00 82 V 7.58 2.97 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 0.98 0.00 0.00 0.03 0.00 0.00 83 I 7.67 3.63 1.90 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 0.08 0.92 0.00 0.00 84 Q 7.95 3.94 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 85 S 8.23 4.51 0.00 4.12 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 86 M 8.50 4.18 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.23 2.80 0.00 87 A 8.27 4.02 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 88 N 8.71 4.27 0.00 2.92 2.90 0.00 0.00 7.09 6.95 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 89 I 7.86 3.70 1.86 0.00 0.00 0.75 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 1.00 0.86 0.00 0.00 90 L 8.12 3.98 0.00 1.58 1.74 0.95 0.83 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 91 S 8.21 4.31 0.00 4.03 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 92 G 7.72 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 0.00 0.00 0.00 93 L 7.06 3.97 0.00 1.77 1.60 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.50 4.27 0.00 1.96 1.92 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 2.31 2.32 0.00 95 H 8.31 4.58 0.00 3.16 3.23 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 96 H 8.35 4.38 0.00 3.22 3.29 0.00 5.58 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 * Residues marked with a * may have inaccurate shift predictions.