NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5887 8.4345 115.5389 58.1435 63.9009 173.4168 3 K 4.5320 8.6312 128.0711 53.0857 35.8787 174.9137 4 R 4.6244 9.1028 127.8716 56.0569 30.5871 172.7120 5 A 4.7925 9.2661 124.9298 49.5965 23.7390 174.2031 6 N 4.8901 8.2282 117.0459 51.9329 40.6190 174.7562 7 K 4.6581 9.1454 126.8315 54.9152 33.1067 174.5999 8 L 4.5826 9.0063 131.3489 54.3789 43.5578 175.3759 9 V 4.7173 8.7187 126.3784 61.0060 34.4043 174.0571 10 I 4.9467 8.6971 128.1649 59.6158 40.2422 174.4319 11 V 4.8477 8.8814 128.0409 61.5903 33.7978 174.5821 12 T 4.7863 8.5027 121.6042 61.1828 71.4673 172.1665 13 E 4.5378 8.8403 123.2950 56.4841 30.3758 178.9313 14 K 3.9301 8.7408 123.9106 57.7814 31.9113 178.5473 15 V 3.6770 7.7694 110.6410 64.2433 31.6828 177.2872 16 L 4.0792 7.7300 118.4417 54.2301 41.2880 177.9481 17 L 4.2284 7.9223 125.3079 59.1604 41.9927 179.9651 18 K 4.0950 8.1141 125.2813 60.2521 31.6140 181.6931 19 K 4.1923 7.8273 124.6070 59.7322 31.7793 181.2290 20 V 3.6399 8.0514 120.1588 65.4298 31.3646 177.8889 21 A 3.3970 8.1134 123.2363 55.5370 18.1416 180.3770 22 K 3.9555 7.9592 122.1172 59.9702 31.7406 181.3175 23 I 3.8614 7.4685 120.8702 64.1072 37.0284 178.5489 24 I 3.5030 7.4287 120.5423 64.4211 36.9956 178.2749 25 E 4.0164 8.0551 119.1377 59.6796 29.1682 179.4469 26 E 4.0709 8.3726 116.8889 58.7395 29.5630 178.7308 27 A 4.1960 7.6594 120.0307 53.1679 18.4611 178.2290 28 G 3.9461 7.6615 105.2328 45.1072 0.0000 173.6756 29 A 4.1268 7.5180 122.3872 52.1744 18.7000 179.0503 30 T 4.0467 8.6548 112.7704 63.7149 69.4151 174.4006 31 G 3.9679 7.5937 108.9732 45.6537 0.0000 171.2104 32 Y 4.9823 7.6976 115.3000 56.5901 40.4207 173.7082 33 T 4.8807 9.0115 117.7612 61.9922 71.5797 174.0470 34 V 4.7677 8.1972 123.1691 60.1627 34.4332 174.6280 35 V 4.5007 8.4293 123.1950 61.0265 35.4148 173.8241 36 D 5.1836 8.6010 125.4324 54.1080 41.6556 175.8921 37 T 4.6405 8.7025 112.2163 60.2928 72.3015 173.9314 38 G 4.1072 9.0656 112.0322 44.8628 0.0000 173.9251 39 G 4.7732 8.5921 117.0091 47.1073 0.0000 172.3638 *59 N 4.8436 7.1925 117.4202 52.5458 40.8172 173.3570 60 V 4.7691 8.6981 118.8286 59.8465 35.3038 174.4146 61 K 4.9315 9.0142 124.7764 54.8273 34.6880 174.6143 62 F 5.3237 9.3669 127.0457 56.3416 41.3027 174.8574 63 E 5.2097 9.3231 121.4815 54.6454 33.3719 175.0471 64 V 4.6363 8.9386 123.9409 61.1919 35.0156 174.0154 65 L 5.0049 8.7782 128.7708 54.2944 41.2709 176.4450 66 T 4.4042 8.9096 117.8257 60.8588 70.8712 176.2378 67 E 3.7782 9.1060 119.3396 58.4636 29.9133 177.7809 68 N 5.1880 7.5139 113.5948 50.1299 40.9958 174.3648 69 R 3.9427 8.7571 119.7876 60.3937 30.2211 179.0838 70 E 3.9427 8.3141 111.5260 56.9788 30.2266 180.1251 *72 A 4.3010 8.1592 123.5959 53.3029 20.5694 179.9262 73 E 4.0287 8.5527 118.1161 59.8691 29.3861 180.3465 74 K 3.9207 8.2072 123.8843 59.9621 31.8025 181.2759 75 I 3.8105 7.6823 120.7075 63.9541 37.0259 178.3208 76 A 3.8697 7.9010 121.5541 55.1445 18.1657 179.3431 77 D 4.1922 8.3332 117.7586 57.6282 41.0474 178.9982 78 Q 3.8515 7.9934 118.3720 58.9885 28.6767 179.3847 79 V 3.5651 7.7417 118.7704 65.8226 31.5163 177.8173 80 A 2.6451 7.5514 120.3569 54.8625 17.9959 179.4790 81 I 3.6345 7.5815 119.3986 65.2674 37.3088 179.2909 82 K 3.9235 7.4996 122.5159 58.7126 31.7236 179.4950 83 F 5.4848 8.2547 116.1375 57.9179 41.3819 177.3774 84 F 5.0342 9.1166 118.4913 59.6031 38.7855 176.5134 85 T 4.2553 8.1602 109.1101 62.9918 69.1883 174.7308 86 D 4.7085 8.2000 120.7407 54.7592 43.0709 175.5949 87 Y 4.7851 8.7010 115.1533 55.5031 41.3420 174.8232 88 A 4.0753 9.0905 125.2401 51.9917 19.1584 177.4473 89 G 3.4833 7.2044 106.5086 45.8262 0.0000 172.4414 90 I 5.0635 8.4414 120.9522 59.2428 41.9779 173.9899 91 I 5.2705 8.7015 128.4388 59.8726 40.5351 173.9946 92 Y 5.0747 8.7455 124.0452 55.6980 42.2068 173.7054 93 I 5.1246 8.5607 119.2455 59.7515 40.6284 175.0205 94 C 5.0762 9.1051 125.5080 58.3771 31.8377 173.8734 95 E 4.6084 8.8843 120.4275 56.4967 30.2596 175.2746 96 A 4.7829 9.1089 125.4342 49.2170 23.1019 174.6157 97 E 4.8994 8.7098 121.3375 54.3105 31.4713 175.5026 98 V 3.8233 8.7322 129.0479 62.8407 32.1295 176.5183 99 L 4.1214 8.6829 127.4863 56.3243 42.7623 176.6126 100 Y 4.7967 7.7340 113.3021 55.3327 41.9921 175.0970 101 G 3.7366 8.8325 111.1066 46.4676 0.0000 172.1704 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 S 8.43 4.59 0.00 3.82 3.78 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 0.00 0.00 0.00 3 K 8.63 4.53 0.00 1.42 1.58 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.33 7.81 4 R 9.10 4.62 0.00 1.59 1.75 0.00 3.18 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 5 A 9.27 4.79 1.19 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 0.00 0.00 6 N 8.23 4.89 0.00 2.85 2.75 0.00 0.00 6.96 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 7 K 9.15 4.66 0.00 1.81 1.93 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 8 L 9.01 4.58 0.00 1.74 1.61 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.72 4.72 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 0.00 0.00 0.73 0.00 0.00 0.71 0.00 0.00 10 I 8.70 4.95 2.03 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 1.07 0.00 0.00 11 V 8.88 4.85 2.18 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 1.06 0.00 0.00 1.04 0.00 0.00 12 T 8.50 4.79 4.38 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 1.29 0.00 0.00 13 E 8.84 4.54 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 2.44 2.35 0.00 14 K 8.74 3.93 0.00 1.68 1.84 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.05 7.81 15 V 7.77 3.68 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 0.88 0.00 0.00 0.83 0.00 0.00 16 L 7.73 4.08 0.00 1.50 1.04 0.31 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.92 4.23 0.00 1.95 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.11 4.10 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.07 7.81 19 K 7.83 4.19 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 20 V 8.05 3.64 1.80 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 0.11 0.00 0.00 0.83 0.00 0.00 21 A 8.11 3.40 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.96 3.96 0.00 1.80 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 1.36 7.81 23 I 7.47 3.86 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.88 0.00 0.00 24 I 7.43 3.50 1.54 0.00 0.00 -0.12 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 0.62 0.82 0.00 0.00 25 E 8.06 4.02 0.00 2.18 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 2.51 2.61 0.00 26 E 8.37 4.07 0.00 1.96 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 2.34 2.41 0.00 27 A 7.66 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.52 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.65 4.05 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 31 G 7.59 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 32 Y 7.70 4.98 0.00 3.15 2.95 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 0.00 0.00 0.00 33 T 9.01 4.88 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 1.23 0.00 0.00 34 V 8.20 4.77 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 0.75 0.00 0.00 0.26 0.00 0.00 35 V 8.43 4.50 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 0.87 0.00 0.00 0.90 0.00 0.00 36 D 8.60 5.18 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 4.64 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 1.24 0.00 0.00 38 G 9.07 4.11 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 0.00 0.00 0.00 39 G 8.59 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 *59 N 7.19 4.84 0.00 2.92 2.84 0.00 0.00 6.52 7.68 0.00 0.00 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 V 8.70 4.77 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 0.70 0.00 0.00 0.54 0.00 0.00 61 K 9.01 4.93 0.00 1.76 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.38 7.81 62 F 9.37 5.32 0.00 3.00 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 63 E 9.32 5.21 0.00 1.93 1.84 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 2.22 2.24 0.00 64 V 8.94 4.64 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 0.96 0.00 0.00 65 L 8.78 5.00 0.00 1.60 1.63 0.95 0.94 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 66 T 8.91 4.40 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 1.26 0.00 0.00 67 E 9.11 3.78 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 2.23 1.88 0.00 68 N 7.51 5.19 0.00 2.74 2.80 0.00 0.00 5.95 7.66 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 69 R 8.76 3.94 0.00 1.91 1.96 0.00 3.26 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 70 E 8.31 3.94 0.00 1.93 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 2.32 1.91 0.00 *72 A 8.16 4.30 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.55 4.03 0.00 2.12 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 2.32 2.47 0.00 74 K 8.21 3.92 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 75 I 7.68 3.81 1.80 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 1.49 0.49 0.78 0.00 0.00 76 A 7.90 3.87 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 77 D 8.33 4.19 0.00 2.75 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 78 Q 7.99 3.85 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 79 V 7.74 3.57 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 1.13 0.00 0.00 0.94 0.00 0.00 80 A 7.55 2.65 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 81 I 7.58 3.63 1.82 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 1.32 0.60 0.84 0.00 0.00 82 K 7.50 3.92 0.00 1.89 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 83 F 8.25 5.48 0.00 3.45 3.21 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 0.00 84 F 9.12 5.03 0.00 3.08 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 85 T 8.16 4.26 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 1.27 0.00 0.00 86 D 8.20 4.71 0.00 3.04 2.49 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 87 Y 8.70 4.79 0.00 3.17 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 88 A 9.09 4.08 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.20 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.44 5.06 1.96 0.00 0.00 1.00 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 1.85 1.08 0.00 0.00 91 I 8.70 5.27 1.95 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.11 0.95 0.00 0.00 92 Y 8.75 5.07 0.00 2.97 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 93 I 8.56 5.12 1.93 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 1.35 0.70 0.97 0.00 0.00 94 C 9.11 5.08 0.00 2.92 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 95 E 8.88 4.61 0.00 1.75 1.74 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 2.23 1.89 0.00 96 A 9.11 4.78 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.71 4.90 0.00 1.96 1.86 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 2.16 2.25 0.00 98 V 8.73 3.82 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 0.91 0.00 0.00 0.94 0.00 0.00 99 L 8.68 4.12 0.00 1.70 1.60 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.73 4.80 0.00 2.92 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 0.00 101 G 8.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.