NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 R 4.2223 8.2431 119.0722 56.2157 30.4573 172.3093 14 G 3.7418 8.3951 115.1705 43.1487 0.0000 176.6760 15 S 4.3994 8.5209 120.4320 57.4239 65.8760 171.9453 16 Q 4.7129 8.7809 118.7587 54.8193 31.1815 174.7214 17 N 5.4698 8.0554 118.2004 51.2817 40.0682 173.4954 18 F 5.0559 9.2044 121.1473 55.1691 43.1616 174.6474 19 L 4.7173 8.6873 120.4949 54.9491 42.4748 176.3717 20 F 4.8390 9.3567 124.4373 56.6012 42.7493 173.7768 21 G 4.1005 6.9376 110.4823 45.2254 0.0000 171.4650 22 C 4.6309 8.5226 115.0181 56.4062 33.6545 172.1138 23 E 4.7114 8.5835 120.3233 54.2836 31.5772 174.7939 24 L 5.1217 8.6410 126.8811 52.9904 45.0368 175.6279 25 K 4.7529 8.7284 120.6954 55.6681 36.0857 176.5863 26 A 3.9395 8.5968 123.8265 55.1227 18.1859 178.3069 27 D 4.8013 7.8755 112.0444 53.0103 40.1591 177.5755 28 K 4.6218 7.9729 120.4342 56.3932 34.0081 175.5629 29 K 4.3795 8.0445 121.8236 57.3987 33.7487 176.5840 30 E 5.3111 8.1700 118.1733 54.4930 32.9855 174.7759 31 Y 4.6346 9.0016 123.3559 55.9085 42.0671 173.8300 32 S 4.8236 8.0903 121.5179 56.6980 64.0924 172.5757 33 F 4.8790 9.2450 130.8888 56.6288 40.7478 174.5316 34 K 4.8106 7.9413 124.3216 54.6640 36.2002 176.1690 35 V 4.1752 7.8690 115.7009 59.1300 34.4110 175.8449 36 E 4.0040 8.4346 123.6617 55.7448 29.9158 176.6459 37 D 4.3677 8.5236 121.3493 54.0052 38.3175 174.7029 38 D 5.0787 8.1410 125.1279 51.4863 42.3985 174.6649 39 E 4.4570 9.7414 118.1045 54.5868 30.6013 174.9314 40 N 5.1018 8.4450 117.5580 50.8913 39.8146 173.7520 41 E 4.4269 8.6037 121.2532 56.6360 30.8348 175.7566 42 H 5.5044 8.9139 120.1669 54.1917 32.1397 173.0701 43 Q 4.7984 9.2164 120.7529 54.0066 33.1644 174.0672 44 L 4.6649 8.7153 125.2052 53.5121 43.9431 175.1722 45 S 5.0216 8.8597 123.3632 56.6479 63.8091 172.8742 46 L 4.3788 8.9322 129.1664 54.9868 42.3478 177.3392 47 R 4.4913 9.5871 122.4291 57.5591 32.4217 176.1657 48 T 5.2305 7.7049 107.0407 59.9674 72.9932 172.5975 49 V 5.0592 8.7982 122.3757 61.2794 34.6165 174.5007 50 S 5.1813 9.1054 121.2128 56.7809 66.9215 172.7408 51 L 4.8532 8.5764 121.8999 53.7714 42.6476 177.2657 52 G 4.0257 9.1491 110.8772 45.7468 0.0000 174.5022 53 A 4.1675 8.8061 123.8240 54.8118 18.4650 179.1535 54 S 4.3637 7.9722 107.9399 59.0663 63.9326 174.4963 55 A 4.4621 7.5945 124.0316 51.6456 18.4795 177.6396 56 K 4.1779 8.0659 122.0754 56.5148 32.8391 177.8444 57 D 4.7085 8.3463 122.4714 53.0021 39.2547 174.6784 58 E 4.7202 7.6193 119.1684 53.7394 33.0958 175.4350 59 L 4.3706 8.3419 121.9015 55.6049 42.9463 175.5328 60 H 5.1922 9.4634 123.1694 53.9725 32.0385 173.0045 61 V 4.8307 8.7997 122.6707 61.0301 34.5012 174.1109 62 V 5.0584 8.7176 127.7755 61.0254 33.9774 174.0642 63 E 5.2842 9.4418 125.1270 54.4581 33.2484 174.3757 64 A 5.1986 8.9691 122.5750 50.1333 22.4853 174.9413 65 E 4.8988 8.9312 122.0901 54.9703 32.6706 175.1534 66 G 4.4263 8.3770 113.5361 46.2217 0.0000 171.3273 67 I 4.5290 8.4336 121.4818 60.6326 38.0014 176.1518 68 N 4.8447 9.0342 124.0415 51.8994 38.8313 175.0034 69 Y 4.3988 8.7039 114.7606 58.7044 38.3625 175.7903 70 E 3.8630 7.9450 119.5745 56.0377 29.7706 176.9767 71 G 3.8847 8.1288 107.2071 45.3782 0.0000 173.2994 72 K 4.6101 7.7063 118.6668 54.4369 34.6756 175.8506 73 T 4.6068 8.5140 121.5137 63.7112 69.0236 173.7465 74 I 4.7578 9.0753 119.6259 58.9480 41.7052 174.2057 75 K 5.2047 8.6444 121.8903 54.5773 34.4162 175.7089 76 I 4.7296 8.8059 118.2038 58.8674 40.9630 174.5802 77 A 4.6195 8.6095 127.3731 51.8673 19.5923 177.1346 78 L 4.5756 8.8706 123.5200 56.8577 42.9385 177.3224 79 A 4.6274 7.6905 117.4918 50.9614 22.6683 175.2091 80 S 5.2735 8.7462 117.2498 56.9238 64.7970 173.6691 81 L 5.0724 8.9940 124.3793 53.0000 46.2567 175.6464 82 K 4.9394 8.6624 121.4053 54.7049 35.3577 175.3186 83 P 4.3449 0.0000 0.0000 65.3331 31.4431 177.2315 84 S 4.6221 7.8353 109.7512 58.1438 63.5303 174.0914 85 V 4.1964 7.3455 118.8778 64.3975 33.3993 176.0353 86 Q 4.6730 8.1691 119.5509 55.0099 30.8811 171.8595 87 P 4.5853 0.0000 0.0000 64.2929 33.0317 176.4859 88 T 5.1475 7.7526 116.0079 61.7773 72.6539 173.3200 89 V 4.3926 8.7799 125.0220 61.0703 34.5959 174.1350 90 S 4.8752 8.7496 123.1144 57.9467 61.2193 173.7215 91 L 4.1437 9.2974 127.3398 54.3637 42.6739 178.3110 92 G 3.8838 8.5860 105.7846 46.3007 0.0000 174.4550 93 G 3.8750 7.6586 103.9365 46.2616 0.0000 175.7704 94 F 4.6100 8.4454 121.2511 57.3115 40.3054 175.2053 95 E 4.8156 8.8685 126.2200 56.2456 30.4889 176.6698 96 I 4.6929 8.6044 123.8047 59.9382 41.7081 174.4478 97 T 4.6941 8.6327 123.9756 62.0522 69.0782 173.2435 98 P 4.5309 0.0000 0.0000 62.1952 32.0516 174.0171 99 P 5.0010 0.0000 0.0000 62.6929 32.8136 175.6021 100 V 4.7614 8.7488 119.6145 60.5057 35.2944 173.4183 101 I 4.9471 8.7296 124.0119 59.8189 39.5479 174.4161 102 L 5.1342 9.0222 127.0902 53.2699 43.9726 175.6045 103 R 4.9515 8.9777 123.3139 54.5481 33.9048 174.0050 104 L 4.5473 9.0049 129.2697 54.4855 40.8783 176.0309 105 K 4.3374 8.9208 128.9892 58.9016 32.9332 176.7557 106 S 4.5603 7.9843 112.4092 57.7892 66.4977 175.0655 107 G 4.1346 8.9214 105.8440 45.5933 0.0000 173.5919 108 S 4.2054 8.5297 112.7705 58.1081 63.9188 176.1224 109 G 4.0728 8.2188 110.2308 43.7352 0.0000 170.2940 110 P 4.6293 0.0000 0.0000 62.7983 32.7312 175.5325 111 V 4.7357 8.7955 121.8555 61.3489 34.6992 173.7277 112 Y 5.0663 9.0039 124.0976 56.1013 41.4024 174.6895 113 V 5.0548 8.7823 122.9884 61.0980 34.6981 174.4335 114 S 5.1879 8.9014 121.8948 56.8135 66.3133 174.1702 115 G 4.0373 8.1554 107.9309 46.1563 0.0000 171.5981 116 Q 5.1541 8.1605 118.7212 54.4033 32.8633 174.2587 117 H 5.2474 9.7316 123.6743 54.8656 31.7519 173.2513 118 L 5.2342 9.2221 126.8355 53.2233 44.2245 175.8056 119 V 4.7790 8.8716 122.5976 61.0244 34.7487 175.1871 120 A 4.4186 8.8942 128.9981 52.0983 19.2921 175.4402 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 *13 R 8.24 4.22 0.00 1.85 1.80 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 14 G 8.40 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 15 S 8.52 4.40 0.00 4.22 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 16 Q 8.78 4.71 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 17 N 8.06 5.47 0.00 2.65 2.72 0.00 0.00 5.87 7.43 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 18 F 9.20 5.06 0.00 3.06 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 19 L 8.69 4.72 0.00 1.61 1.64 0.93 0.76 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 20 F 9.36 4.84 0.00 3.21 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 21 G 6.94 4.10 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 0.00 0.00 0.00 22 C 8.52 4.63 0.00 2.59 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 0.00 0.00 0.00 23 E 8.58 4.71 0.00 1.88 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 1.92 1.56 0.00 24 L 8.64 5.12 0.00 1.50 1.50 0.93 0.73 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 25 K 8.73 4.75 0.00 1.78 1.81 0.00 1.32 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.46 7.81 26 A 8.60 3.94 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 27 D 7.88 4.80 0.00 2.79 2.76 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 0.00 0.00 0.00 28 K 7.97 4.62 0.00 1.72 1.67 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.56 7.81 29 K 8.04 4.38 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.58 1.64 7.81 30 E 8.17 5.31 0.00 1.82 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 2.21 2.27 0.00 31 Y 9.00 4.63 0.00 3.11 2.88 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 32 S 8.09 4.82 0.00 3.82 3.56 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 33 F 9.25 4.88 0.00 3.24 2.99 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 34 K 7.94 4.81 0.00 1.42 1.47 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.32 7.81 35 V 7.87 4.18 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.75 0.00 0.00 36 E 8.43 4.00 0.00 1.90 1.83 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 2.25 2.22 0.00 37 D 8.52 4.37 0.00 2.75 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 38 D 8.14 5.08 0.00 2.77 2.69 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 39 E 9.74 4.46 0.00 1.97 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 2.26 2.39 0.00 40 N 8.45 5.10 0.00 2.80 3.15 0.00 0.00 7.13 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 41 E 8.60 4.43 0.00 1.98 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 2.32 0.00 42 H 8.91 5.50 0.00 3.02 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 9.22 4.80 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 44 L 8.72 4.66 0.00 0.69 1.18 -0.56 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.86 5.02 0.00 3.93 3.75 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 46 L 8.93 4.38 0.00 1.58 1.56 0.68 0.60 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 47 R 9.59 4.49 0.00 1.81 1.96 0.00 3.25 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 48 T 7.70 5.23 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 1.23 0.00 0.00 49 V 8.80 5.06 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 1.13 0.00 0.00 0.96 0.00 0.00 50 S 9.11 5.18 0.00 3.91 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 51 L 8.58 4.85 0.00 1.55 1.60 0.86 0.56 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 52 G 9.15 4.03 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 0.00 0.00 0.00 53 A 8.81 4.17 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 54 S 7.97 4.36 0.00 4.01 4.02 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 55 A 7.59 4.46 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 56 K 8.07 4.18 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.40 7.81 57 D 8.35 4.71 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.62 4.72 0.00 2.02 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 2.35 2.10 0.00 59 L 8.34 4.37 0.00 1.67 1.61 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 60 H 9.46 5.19 0.00 3.02 3.16 0.00 5.61 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 61 V 8.80 4.83 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 0.96 0.00 0.00 0.95 0.00 0.00 62 V 8.72 5.06 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 1.03 0.00 0.00 0.94 0.00 0.00 63 E 9.44 5.28 0.00 2.17 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 0.00 2.17 2.22 0.00 64 A 8.97 5.20 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 65 E 8.93 4.90 0.00 1.99 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 2.18 2.34 0.00 66 G 8.38 4.43 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 0.00 67 I 8.43 4.53 1.89 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 1.48 0.86 0.93 0.00 0.00 68 N 9.03 4.84 0.00 3.04 3.04 0.00 0.00 6.36 7.52 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 69 Y 8.70 4.40 0.00 3.17 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 70 E 7.94 3.86 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 1.79 1.47 0.00 71 G 8.13 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 0.00 0.00 0.00 72 K 7.71 4.61 0.00 1.78 1.68 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.55 7.81 73 T 8.51 4.61 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 1.25 0.00 0.00 74 I 9.08 4.76 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.93 0.00 0.00 75 K 8.64 5.20 0.00 1.63 1.91 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.39 7.81 76 I 8.81 4.73 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.97 0.00 0.00 77 A 8.61 4.62 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.87 4.58 0.00 1.53 1.76 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.69 4.63 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 80 S 8.75 5.27 0.00 3.76 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 81 L 8.99 5.07 0.00 1.55 1.66 0.96 0.94 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 82 K 8.66 4.94 0.00 1.84 1.61 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.60 7.81 83 P 0.00 4.34 0.00 2.09 2.11 0.00 3.92 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 2.05 2.09 0.00 84 S 7.84 4.62 0.00 3.97 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 85 V 7.35 4.20 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.17 4.67 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 87 P 0.00 4.59 0.00 2.16 2.29 0.00 3.70 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 2.07 2.00 0.00 88 T 7.75 5.15 4.25 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 1.26 0.00 0.00 89 V 8.78 4.39 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 1.05 0.00 0.00 0.95 0.00 0.00 90 S 8.75 4.88 0.00 3.94 3.77 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 91 L 9.30 4.14 0.00 1.86 1.86 0.99 1.06 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 92 G 8.59 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 0.00 0.00 0.00 93 G 7.66 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 94 F 8.45 4.61 0.00 3.06 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 8.87 4.82 0.00 1.97 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 2.34 2.39 0.00 96 I 8.60 4.69 1.68 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.83 0.00 0.00 97 T 8.63 4.69 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 1.25 0.00 0.00 98 P 0.00 4.53 0.00 2.15 2.26 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 99 P 0.00 5.00 0.00 2.08 2.04 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 100 V 8.75 4.76 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 0.84 0.00 0.00 0.87 0.00 0.00 101 I 8.73 4.95 1.88 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 1.21 0.76 0.98 0.00 0.00 102 L 9.02 5.13 0.00 1.71 1.62 0.98 0.41 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 0.00 103 R 8.98 4.95 0.00 1.82 1.71 0.00 3.31 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 104 L 9.00 4.55 0.00 1.64 1.61 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.92 4.34 0.00 1.83 1.97 0.00 2.02 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 7.98 4.56 0.00 3.86 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 0.00 107 G 8.92 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 0.00 0.00 0.00 0.00 108 S 8.53 4.21 0.00 4.06 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 0.00 109 G 8.22 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.63 0.00 1.86 2.06 0.00 3.74 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 2.17 2.01 0.00 111 V 8.80 4.74 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 0.98 0.00 0.00 0.88 0.00 0.00 112 Y 9.00 5.07 0.00 2.94 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 0.00 113 V 8.78 5.05 2.15 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 1.13 0.00 0.00 0.95 0.00 0.00 114 S 8.90 5.19 0.00 3.87 3.91 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 0.00 115 G 8.16 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 0.00 116 Q 8.16 5.15 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 117 H 9.73 5.25 0.00 3.41 3.39 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.22 5.23 0.00 1.66 1.61 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.87 4.78 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 0.82 0.00 0.00 1.05 0.00 0.00 120 A 8.89 4.42 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 * Residues marked with a * may have inaccurate shift predictions.