NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4138 0.0000 0.0000 61.7282 32.8133 176.1606 4 K 3.9289 8.4734 122.0319 55.2025 32.4962 174.5432 5 H 4.8818 8.0159 117.3238 54.4099 32.5445 172.0900 6 G 3.9162 7.5976 106.0251 45.7421 0.0000 171.5223 7 N 4.8620 7.9307 116.5304 51.3833 41.4109 175.7879 8 L 3.9009 8.3677 125.5214 57.2199 41.7732 177.7893 9 F 4.8404 7.9905 115.1020 57.1639 39.4471 175.6797 10 A 4.2889 7.8228 124.7515 52.6478 19.5474 177.2394 11 D 4.2570 8.5314 120.0440 55.4920 38.0879 175.4185 12 V 4.1781 7.4419 117.7119 60.3195 32.2535 173.2256 13 P 4.3280 0.0000 0.0000 62.5056 31.7299 176.3340 14 V 3.9230 8.3643 123.1783 62.9924 32.3561 175.6944 15 G 3.8727 9.2267 113.9097 46.1103 0.0000 173.3844 16 A 4.1723 7.8933 121.8249 51.0939 18.9725 177.0347 17 P 4.3839 0.0000 0.0000 64.8964 31.7565 176.3301 18 D 5.0673 7.6117 116.1959 51.6208 43.7631 175.3996 19 E 4.3464 8.6187 120.1940 56.7969 30.5416 176.4515 20 I 4.5663 8.5991 124.1214 59.6106 39.8428 174.4636 21 F 5.1179 9.0879 125.5417 55.7892 41.2099 175.0327 22 Q 4.5488 9.3814 123.0647 53.1940 31.6398 173.2368 23 P 4.6671 0.0000 0.0000 63.1388 31.4499 176.4080 24 L 4.5276 9.0355 123.9420 56.1018 43.4631 176.9518 25 L 4.7494 7.5738 118.8351 53.6983 45.7815 174.5593 26 E 5.2620 8.6615 123.6576 55.0304 33.6158 174.7660 27 R 4.6589 9.0057 121.8264 53.6383 34.5447 174.4253 28 K 4.0502 8.5542 120.4758 58.0040 32.5140 176.5455 29 G 3.9457 9.5372 113.4913 45.7499 0.0000 171.8677 30 L 5.1518 7.9067 121.3209 53.3157 46.0766 174.6077 31 K 4.9713 9.2401 126.8942 54.9267 35.9185 174.5036 32 I 5.1018 9.0656 128.9976 59.7400 39.2381 174.6328 33 E 5.1234 9.5024 124.3619 54.7861 33.7864 173.9833 34 R 4.9835 8.9856 121.8498 55.2732 32.1542 174.9925 35 I 4.7718 8.5798 126.2129 59.4348 40.7127 174.4773 36 I 5.0069 8.7833 126.8799 59.8200 39.9959 174.7941 37 S 5.1685 9.5373 123.5479 56.2627 65.7625 174.0020 38 N 4.9211 9.3672 118.1677 52.1231 38.7897 175.4978 39 G 4.0429 8.2757 104.1035 45.0163 0.0000 172.7910 40 Q 4.3981 7.8402 118.5309 55.7590 30.0592 174.8557 41 A 5.0411 8.2864 122.4520 49.7373 22.7635 175.9833 42 S 4.0885 8.9012 116.0859 57.9508 63.4213 173.4660 43 P 4.3655 0.0000 0.0000 61.4316 31.8805 173.9904 44 P 4.2559 0.0000 0.0000 64.6940 31.4608 177.2325 45 G 4.0853 8.9784 111.0522 45.4270 0.0000 173.1048 46 F 4.2893 8.0331 122.6160 57.3162 39.9315 174.4868 47 W 4.6755 7.4416 126.7187 54.6821 32.5215 174.9385 48 Y 4.1630 8.6004 122.0962 58.4602 39.1507 175.1540 49 D 4.3630 8.5577 120.6152 54.1889 43.4809 173.6116 50 S 5.2106 8.5355 121.2818 55.6726 65.1404 172.9112 51 P 4.1262 0.0000 0.0000 64.2589 31.5381 176.0407 52 Q 4.7384 7.7096 118.8230 54.4134 31.3317 175.0054 53 D 4.8175 9.0735 121.9151 54.4946 42.4524 175.1236 54 E 5.2158 9.3757 121.8636 54.2201 33.6494 173.9348 55 W 5.3569 9.2717 135.0000 55.7135 33.8771 174.5866 56 V 4.8692 7.8103 125.3488 58.9021 35.5195 173.9487 *58 V 3.6264 8.1188 118.6802 63.0675 31.7755 175.7295 59 V 4.3218 8.6209 128.1421 64.2383 32.9081 175.5478 60 S 4.4188 7.7477 113.0485 57.7416 66.2931 175.0176 61 G 3.8479 9.6702 107.4520 45.9731 0.0000 172.6839 62 S 4.4993 8.1044 114.7810 58.2173 66.7756 174.7165 63 A 4.5038 8.0417 121.3188 51.3529 22.1974 175.6145 64 G 2.8445 7.2741 105.1189 44.8681 0.0000 172.0650 65 I 4.9947 8.0489 124.1278 59.1988 41.2792 173.7811 66 E 4.9764 9.0920 127.0728 54.6741 32.2365 174.3552 67 C 5.3786 9.0461 124.3334 57.7906 30.9287 173.2080 68 E 4.1311 9.0686 124.0060 57.6607 29.7681 176.1102 69 G 4.1433 8.8352 112.9975 45.6845 0.0000 173.9553 70 D 4.5644 7.5826 118.3046 54.5777 41.3105 176.9924 71 T 4.0371 8.4946 118.5832 66.4559 68.8075 174.1546 72 A 4.7462 7.4411 120.0258 49.9633 22.2127 174.3161 73 P 4.6320 0.0000 0.0000 63.0352 32.5407 176.1982 74 R 4.6485 8.7914 120.9305 54.6035 32.5127 177.2734 75 V 4.1904 8.1862 122.8602 62.7303 33.3856 174.5076 *77 R 4.0601 8.3072 118.9949 54.9029 31.0336 173.1448 78 P 4.5623 0.0000 0.0000 64.7469 31.4630 176.6922 79 G 4.1407 9.1634 112.1354 45.4962 0.0000 173.6802 80 D 4.4383 7.7771 120.1472 53.6960 41.2609 175.6581 81 W 5.0647 7.8598 119.6943 54.4145 31.5182 174.1753 82 L 4.6776 8.7605 120.9296 53.8677 45.1274 174.1475 83 H 5.3414 9.3379 126.4558 55.1099 31.1706 174.1410 84 V 4.2046 9.0832 127.4053 60.4037 32.9243 173.2610 85 P 4.8147 0.0000 0.0000 61.9369 32.6680 176.0244 86 A 4.2401 8.8575 124.7692 53.7727 18.5486 177.9063 87 H 4.9117 9.2485 117.5215 55.9787 27.3368 174.4088 88 C 4.3849 8.1244 121.3501 59.1228 31.7976 173.4375 89 R 5.0707 8.9181 125.8241 56.0089 31.3201 175.2022 90 H 5.8794 8.8945 116.8296 55.0731 32.2375 172.0945 91 R 4.8228 8.9289 114.6390 54.7214 33.4405 174.4351 92 V 4.2884 8.8125 121.5050 61.8897 31.6895 176.3696 93 A 4.3140 8.7424 132.1042 54.7039 19.0124 177.1065 94 W 5.0954 7.3696 109.8177 56.0192 31.1957 173.6967 95 T 5.1800 8.0746 108.5794 59.3420 71.6576 173.1008 96 D 4.4465 8.7769 122.3566 55.3562 41.0786 177.0199 97 G 3.8384 9.1355 113.8766 46.6373 0.0000 174.0625 98 G 3.9743 8.5483 108.1580 45.7500 0.0000 173.0607 99 E 4.6838 7.7895 115.4521 53.9961 32.4418 172.7341 100 P 4.5790 0.0000 0.0000 63.2977 32.3735 176.2391 101 T 4.4908 8.9637 120.7490 62.0469 70.4819 173.5380 102 V 4.7606 8.1258 127.1188 61.2057 33.4708 174.8088 103 W 5.0924 9.4935 127.5447 54.7572 32.9571 174.1545 104 L 5.2952 8.6066 123.1298 53.3775 44.2660 174.8043 105 A 5.1710 9.3043 128.0379 50.0934 22.5412 174.6883 106 V 4.9086 9.1627 121.1996 61.4138 34.8607 173.8960 107 H 5.5125 9.4440 125.3499 54.3346 31.7763 173.1520 108 C 5.7471 8.7127 116.3748 57.3813 33.4925 172.6887 109 D 4.8511 8.5978 118.1545 53.8216 41.3519 177.0120 110 A 4.3845 8.4496 123.0504 52.6738 18.4474 177.6030 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 P 0.00 4.41 0.00 2.07 2.05 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 4 K 8.47 3.93 0.00 1.82 1.73 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 5 H 8.02 4.88 0.00 3.17 3.23 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.60 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 7 N 7.93 4.86 0.00 2.68 2.63 0.00 0.00 6.93 6.66 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 8 L 8.37 3.90 0.00 0.89 1.31 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.99 4.84 0.00 3.18 2.96 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 10 A 7.82 4.29 1.31 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 11 D 8.53 4.26 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.44 4.18 2.13 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 0.86 0.00 0.00 1.08 0.00 0.00 13 P 0.00 4.33 0.00 2.10 1.99 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 14 V 8.36 3.92 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 0.79 0.00 0.00 0.99 0.00 0.00 15 G 9.23 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.89 4.17 1.27 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 17 P 0.00 4.38 0.00 2.20 2.20 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 18 D 7.61 5.07 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.35 0.00 2.01 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 20 I 8.60 4.57 1.85 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 1.26 0.80 0.94 0.00 0.00 21 F 9.09 5.12 0.00 2.83 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 9.38 4.55 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 23 P 0.00 4.67 0.00 1.96 2.08 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 24 L 9.04 4.53 0.00 1.48 1.71 0.93 0.85 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 25 L 7.57 4.75 0.00 1.72 1.44 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.66 5.26 0.00 1.83 1.78 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 2.22 2.34 0.00 27 R 9.01 4.66 0.00 1.76 1.77 0.00 3.29 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 28 K 8.55 4.05 0.00 1.97 1.73 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.01 7.81 29 G 9.54 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 30 L 7.91 5.15 0.00 1.75 1.46 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.24 4.97 0.00 1.84 1.64 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.44 7.81 32 I 9.07 5.10 1.89 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 1.30 0.53 0.95 0.00 0.00 33 E 9.50 5.12 0.00 2.14 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 0.00 2.32 2.35 0.00 34 R 8.99 4.98 0.00 1.90 1.83 0.00 3.17 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 35 I 8.58 4.77 1.64 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.12 0.00 0.00 36 I 8.78 5.01 1.86 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 1.26 0.88 0.94 0.00 0.00 37 S 9.54 5.17 0.00 3.89 3.88 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 0.00 0.00 0.00 38 N 9.37 4.92 0.00 2.75 2.73 0.00 0.00 7.18 7.57 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 39 G 8.28 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 0.00 0.00 0.00 40 Q 7.84 4.40 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 41 A 8.29 5.04 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 0.00 0.00 0.00 0.00 0.00 42 S 8.90 4.09 0.00 3.67 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 43 P 0.00 4.37 0.00 2.14 1.91 0.00 3.19 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 44 P 0.00 4.26 0.00 2.05 2.04 0.00 3.71 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 2.04 2.12 0.00 45 G 8.98 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 0.00 0.00 0.00 46 F 8.03 4.29 0.00 2.91 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 47 W 7.44 4.68 0.00 2.89 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 48 Y 8.60 4.16 0.00 2.59 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.56 4.36 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.54 5.21 0.00 3.95 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.13 0.00 2.22 2.18 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 52 Q 7.71 4.74 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 9.07 4.82 0.00 2.82 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 54 E 9.38 5.22 0.00 1.97 1.68 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 0.00 2.11 2.12 0.00 55 W 9.27 5.36 0.00 3.42 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 56 V 7.81 4.87 2.10 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 1.05 0.00 0.00 0.94 0.00 0.00 *58 V 8.12 3.63 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 0.65 0.00 0.00 0.09 0.00 0.00 59 V 8.62 4.32 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 0.98 0.00 0.00 0.97 0.00 0.00 60 S 7.75 4.42 0.00 3.75 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.67 3.85 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 0.00 0.00 0.00 62 S 8.10 4.50 0.00 3.93 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 63 A 8.04 4.50 0.99 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 0.00 0.00 64 G 7.27 2.84 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 65 I 8.05 4.99 1.85 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 1.23 0.75 0.99 0.00 0.00 66 E 9.09 4.98 0.00 2.03 1.72 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 2.43 2.37 0.00 67 C 9.05 5.38 0.00 3.29 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 68 E 9.07 4.13 0.00 1.71 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.58 0.00 69 G 8.84 4.14 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 0.00 0.00 0.00 70 D 7.58 4.56 0.00 2.89 2.90 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 71 T 8.49 4.04 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 1.24 0.00 0.00 72 A 7.44 4.75 1.25 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 0.00 0.00 0.00 73 P 0.00 4.63 0.00 2.21 2.03 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 74 R 8.79 4.65 0.00 1.65 1.79 0.00 3.09 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 75 V 8.19 4.19 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 0.88 0.00 0.00 1.19 0.00 0.00 *77 R 8.31 4.06 0.00 1.88 1.87 0.00 3.38 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 78 P 0.00 4.56 0.00 2.02 2.20 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 79 G 9.16 4.14 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 0.00 0.00 0.00 80 D 7.78 4.44 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.86 5.06 0.00 2.81 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 82 L 8.76 4.68 0.00 1.62 1.44 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.34 5.34 0.00 3.61 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.08 4.20 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 0.88 0.00 0.00 0.78 0.00 0.00 85 P 0.00 4.81 0.00 2.11 1.96 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 86 A 8.86 4.24 1.23 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 0.00 0.00 87 H 9.25 4.91 0.00 3.31 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 C 8.12 4.38 0.00 3.00 3.02 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 0.00 0.00 0.00 89 R 8.92 5.07 0.00 1.64 1.84 0.00 3.31 0.00 0.00 3.37 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.40 0.00 90 H 8.89 5.88 0.00 3.39 3.50 0.00 5.43 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.93 4.82 0.00 1.41 1.15 0.00 2.21 0.00 0.00 2.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.18 0.00 92 V 8.81 4.29 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 1.00 0.00 0.00 0.89 0.00 0.00 93 A 8.74 4.31 1.41 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 0.00 0.00 94 W 7.37 5.10 0.00 3.38 3.28 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 95 T 8.07 5.18 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 1.53 0.00 0.00 96 D 8.78 4.45 0.00 2.94 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 97 G 9.14 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 98 G 8.55 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 99 E 7.79 4.68 0.00 2.01 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 2.30 2.30 0.00 100 P 0.00 4.58 0.00 1.97 2.05 0.00 3.63 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 2.04 2.28 0.00 101 T 8.96 4.49 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 0.51 0.00 0.00 102 V 8.13 4.76 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 1.15 0.00 0.00 1.03 0.00 0.00 103 W 9.49 5.09 0.00 3.12 3.02 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 0.00 0.00 0.00 104 L 8.61 5.30 0.00 1.82 1.64 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.30 5.17 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 0.00 106 V 9.16 4.91 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 1.05 0.00 0.00 1.04 0.00 0.00 107 H 9.44 5.51 0.00 3.06 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.71 5.75 0.00 2.96 3.02 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 0.00 0.00 0.00 109 D 8.60 4.85 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.45 4.38 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.