NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5278 8.1933 115.5565 58.6958 64.9371 172.0122 1 M 4.9280 8.3344 119.2021 53.4915 34.9627 173.8279 2 K 4.7592 9.1369 119.5905 54.7530 37.7430 175.0164 3 K 4.7036 9.1136 125.8882 55.5913 33.7623 175.1438 4 I 4.8264 9.1492 129.1440 59.6651 39.4997 174.4923 5 E 5.0168 8.8900 125.9400 54.2653 33.2203 174.8072 6 A 4.8284 8.6972 124.5622 50.0545 22.7653 174.9262 7 I 4.8895 8.6944 123.3829 59.6328 39.5613 174.9025 8 I 4.7905 8.5740 121.0414 58.2173 41.3161 175.0030 9 R 4.1403 7.9760 122.8849 57.0595 30.3192 177.5279 10 S 4.1199 9.1147 122.4307 61.8638 62.9965 175.5904 11 D 4.6778 8.0156 116.2182 54.1013 39.6147 177.0801 12 K 4.4353 8.0764 119.2850 56.0370 32.4162 177.1972 13 L 3.8935 7.5787 122.8102 58.4215 41.8537 178.6646 14 E 3.8912 8.0951 118.1726 59.4996 29.6493 178.2034 15 D 4.3644 8.0805 118.3814 57.2427 40.8082 178.4373 16 L 3.9039 8.0999 120.8115 57.9625 42.0381 178.6710 17 K 3.8125 8.2294 119.4982 59.6894 32.0749 178.4171 18 A 3.9589 8.3934 120.9078 55.1319 18.2199 179.4246 19 A 3.9565 8.3849 119.6767 55.4176 18.4333 179.8789 20 L 4.1164 8.3122 119.0703 56.7994 41.6514 179.4876 21 V 3.5693 8.0730 118.8384 66.1820 31.2054 177.8508 22 Q 3.9496 8.0348 118.4968 59.1350 28.7068 177.6758 23 S 4.2590 8.5218 111.8728 59.3002 63.2789 175.4245 24 G 3.7156 8.3076 109.4325 46.2313 0.0000 173.8515 25 F 4.8043 8.3114 115.8264 56.8097 39.8555 177.2204 26 I 3.6987 7.9832 123.8459 64.0269 37.8377 177.9758 27 K 3.8941 8.1222 119.8239 59.1056 32.1363 177.4203 28 G 3.7992 8.0536 106.6700 46.5957 0.0000 172.1022 29 M 4.7146 8.0170 121.1307 54.3287 33.6067 175.1796 30 T 4.7976 8.8093 123.2798 61.9010 71.1751 173.6616 31 I 5.1620 8.2655 118.1854 59.2157 40.6661 174.3192 32 S 4.8424 9.0714 118.9405 56.8453 67.1484 172.1460 33 Q 5.0635 8.5695 118.0910 54.3719 30.7795 175.6402 34 V 4.5626 8.6824 115.3386 59.6375 36.8552 173.7184 35 L 4.7388 8.4318 123.5396 53.7861 43.4386 175.4561 36 G 4.2671 8.7163 114.0165 44.6292 0.0000 171.1115 37 F 5.4426 8.6955 116.3968 56.2112 43.5086 174.7424 38 G 4.3097 8.5734 109.9939 45.1656 0.0000 174.7603 39 N 3.8094 9.2336 117.3045 53.9536 38.1527 174.1217 *54 P 4.4538 0.0000 0.0000 63.5331 33.6928 176.1522 55 T 4.8303 8.2220 112.1756 62.0910 72.9864 173.2167 56 L 4.8844 8.5713 123.9802 53.1643 43.6441 175.8389 57 L 4.7660 8.6017 123.5036 52.7259 45.2168 175.3074 58 A 4.7592 8.5731 125.2646 50.6988 20.0293 176.3603 59 K 4.6309 9.0029 121.8621 54.7637 36.4155 175.2385 60 V 4.6879 8.3980 120.9667 61.0771 34.1676 173.9911 61 K 4.9358 9.3240 129.2137 54.6372 34.5710 174.6534 62 V 4.7533 8.9301 127.4177 61.1025 34.1598 173.8679 63 E 5.1261 9.0302 126.9703 54.6623 32.8502 175.1472 64 I 5.0265 8.7304 123.9514 59.1398 42.0554 173.9599 65 V 4.7453 8.4954 126.0744 61.2061 33.2015 174.3508 66 A 4.8004 8.9951 128.6471 50.1157 23.4666 174.8176 67 H 4.5872 8.5423 115.7589 55.5814 29.7794 176.3958 68 D 4.3327 8.9081 122.7832 57.8343 40.7804 179.1120 69 A 4.0582 8.0769 118.6310 54.5236 18.6030 178.4272 70 A 4.2226 8.2887 118.8089 53.1492 19.0756 179.3497 71 V 3.4419 7.3823 117.2560 66.3727 31.5136 177.9196 72 E 3.9544 8.0627 117.3439 59.4265 29.2961 179.0969 73 E 3.9145 8.0399 118.0948 59.4971 29.6124 178.7749 74 M 3.8306 8.0544 118.3420 58.7031 32.2496 178.3177 75 I 3.6266 7.6820 119.7094 64.6162 37.2133 178.2596 76 T 3.8411 7.7689 116.5320 67.2693 68.3518 176.7100 77 T 3.8709 8.1060 117.5732 66.5695 68.3375 176.9591 78 I 3.6636 8.2338 122.0748 64.4766 37.0084 178.6416 79 S 4.0958 8.4638 116.3268 61.6121 62.4498 176.5754 80 Q 3.9435 8.0821 120.8424 59.2130 28.9096 177.7510 81 A 4.1056 7.7925 120.5246 54.5422 18.4840 178.8022 82 V 4.3963 7.4320 116.2643 62.6787 32.6131 176.3945 83 K 3.8716 7.4959 122.2522 55.4739 31.4631 182.1801 *89 D 4.4828 8.5394 123.6165 50.8810 41.2279 171.8763 90 G 4.7719 7.8775 114.8985 45.4316 0.0000 171.5187 91 K 4.9495 8.1849 119.1162 55.3667 36.5384 174.9837 92 I 4.9333 8.4416 121.8570 59.4544 40.4018 174.7183 93 F 5.1578 8.8792 121.6173 54.9881 41.1156 173.9679 94 V 5.0121 8.5895 120.7621 61.3369 33.7235 174.6119 95 S 4.9295 8.9815 120.9608 56.0809 66.8202 171.3488 96 P 4.8837 0.0000 0.0000 62.4259 32.6116 175.2503 97 V 4.3635 7.7325 120.8222 61.4332 33.0957 175.4011 98 D 4.5254 9.0310 128.2621 57.0629 41.0771 176.2078 99 E 4.7354 7.5381 112.7722 55.2627 31.9400 173.9141 100 I 4.4352 8.1513 119.5726 59.0804 40.6818 175.1123 101 V 4.2242 8.1440 125.6420 60.8798 32.7657 174.9875 102 R 4.1761 8.4806 127.2868 55.7746 30.5521 177.0800 103 I 3.9904 8.3155 122.8501 61.5753 37.2350 175.7592 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 0 S 8.19 4.53 0.00 3.93 4.09 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 1 M 8.33 4.93 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 2 K 9.14 4.76 0.00 1.56 1.62 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.51 7.81 3 K 9.11 4.70 0.00 1.81 1.68 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.39 7.81 4 I 9.15 4.83 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 0.80 0.00 0.00 5 E 8.89 5.02 0.00 1.16 1.30 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 2.09 2.10 0.00 6 A 8.70 4.83 1.08 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 0.00 0.00 7 I 8.69 4.89 1.96 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 1.51 1.15 0.94 0.00 0.00 8 I 8.57 4.79 1.85 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 1.26 0.92 0.88 0.00 0.00 9 R 7.98 4.14 0.00 2.05 1.94 0.00 3.11 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 10 S 9.11 4.12 0.00 3.90 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 11 D 8.02 4.68 0.00 2.78 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 12 K 8.08 4.44 0.00 1.88 1.83 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.36 1.67 7.81 13 L 7.58 3.89 0.00 1.81 1.68 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.10 3.89 0.00 2.11 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 2.37 2.46 0.00 15 D 8.08 4.36 0.00 2.72 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 16 L 8.10 3.90 0.00 1.81 1.82 0.90 0.41 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 17 K 8.23 3.81 0.00 2.01 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 18 A 8.39 3.96 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 19 A 8.38 3.96 1.40 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 0.00 0.00 0.00 20 L 8.31 4.12 0.00 1.80 1.79 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.07 3.57 2.26 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 1.07 0.00 0.00 0.95 0.00 0.00 22 Q 8.03 3.95 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 23 S 8.52 4.26 0.00 4.26 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 24 G 8.31 3.72 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 0.00 0.00 0.00 25 F 8.31 4.80 0.00 3.06 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 26 I 7.98 3.70 1.97 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 1.31 1.50 0.91 0.00 0.00 27 K 8.12 3.89 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 G 8.05 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 8.02 4.71 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 30 T 8.81 4.80 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 1.20 0.00 0.00 31 I 8.27 5.16 1.85 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 1.39 0.53 0.90 0.00 0.00 32 S 9.07 4.84 0.00 3.85 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 33 Q 8.57 5.06 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 34 V 8.68 4.56 2.07 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 0.73 0.00 0.00 0.92 0.00 0.00 35 L 8.43 4.74 0.00 1.52 1.35 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.72 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 0.00 0.00 0.00 0.00 37 F 8.70 5.44 0.00 2.92 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 38 G 8.57 4.31 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 0.00 0.00 0.00 39 N 9.23 3.81 0.00 2.82 2.65 0.00 0.00 6.76 8.02 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 *54 P 0.00 4.45 0.00 2.30 2.10 0.00 3.71 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 1.93 1.96 0.00 55 T 8.22 4.83 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 1.24 0.00 0.00 56 L 8.57 4.88 0.00 1.51 1.52 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.60 4.77 0.00 1.42 1.46 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.57 4.76 1.18 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 0.00 0.00 59 K 9.00 4.63 0.00 1.60 1.77 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.47 7.81 60 V 8.40 4.69 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 1.00 0.00 0.00 0.91 0.00 0.00 61 K 9.32 4.94 0.00 1.80 1.61 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.30 7.81 62 V 8.93 4.75 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 0.95 0.00 0.00 0.89 0.00 0.00 63 E 9.03 5.13 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 64 I 8.73 5.03 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.31 0.93 0.00 0.00 65 V 8.50 4.75 2.07 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 0.76 0.00 0.00 0.92 0.00 0.00 66 A 9.00 4.80 1.09 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 0.00 0.00 67 H 8.54 4.59 0.00 3.31 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.91 4.33 0.00 2.95 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 69 A 8.08 4.06 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 70 A 8.29 4.22 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 71 V 7.38 3.44 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 0.99 0.00 0.00 0.99 0.00 0.00 72 E 8.06 3.95 0.00 2.00 1.97 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 2.39 2.34 0.00 73 E 8.04 3.91 0.00 2.00 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 2.39 2.32 0.00 74 M 8.05 3.83 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 I 7.68 3.63 2.00 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 1.48 0.42 0.89 0.00 0.00 76 T 7.77 3.84 4.45 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 0.00 0.00 0.00 1.20 0.00 0.00 77 T 8.11 3.87 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 78 I 8.23 3.66 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.87 0.00 0.00 79 S 8.46 4.10 0.00 4.01 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 80 Q 8.08 3.94 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 81 A 7.79 4.11 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 82 V 7.43 4.40 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 0.84 0.00 0.00 0.94 0.00 0.00 83 K 7.50 3.87 0.00 1.78 1.63 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *89 D 8.54 4.48 0.00 2.62 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 90 G 7.88 4.77 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 0.00 0.00 0.00 91 K 8.18 4.95 0.00 1.98 1.95 0.00 1.36 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.89 7.81 92 I 8.44 4.93 1.86 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 1.33 0.65 0.87 0.00 0.00 93 F 8.88 5.16 0.00 3.03 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 94 V 8.59 5.01 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 0.86 0.00 0.00 0.93 0.00 0.00 95 S 8.98 4.93 0.00 3.92 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 96 P 0.00 4.88 0.00 2.10 2.09 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 97 V 7.73 4.36 2.23 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 0.85 0.00 0.00 0.96 0.00 0.00 98 D 9.03 4.53 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 99 E 7.54 4.74 0.00 2.03 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 2.19 2.28 0.00 100 I 8.15 4.44 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 1.30 0.96 0.92 0.00 0.00 101 V 8.14 4.22 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 0.91 0.00 0.00 0.94 0.00 0.00 102 R 8.48 4.18 0.00 1.85 1.87 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 103 I 8.32 3.99 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 1.28 0.48 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.