NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.8835 8.3501 109.7399 44.7638 0.0000 173.5185 5 A 4.3143 7.3386 119.3075 49.1495 22.5742 176.6886 6 D 4.7565 7.9859 117.9457 55.7907 40.6661 176.9729 7 R 3.9134 8.0074 119.2062 59.1110 30.2514 177.6455 8 F 4.4143 8.2893 119.9619 61.6043 38.9650 176.7452 9 L 3.6213 7.4306 118.7677 57.5921 41.1570 178.9029 10 E 3.8933 7.6723 117.8907 59.7100 29.5490 178.4648 11 E 4.2612 7.4336 115.2302 58.1031 30.4418 178.0286 12 L 4.4767 7.1337 120.8664 51.6255 41.5960 175.1482 13 P 4.1947 0.0000 0.0000 65.9354 31.3128 178.1017 14 E 4.7858 8.0362 119.7031 58.4407 29.4035 179.4419 15 V 3.6103 7.7629 117.3941 65.7342 31.5681 177.6107 16 A 4.0272 8.2149 121.0457 55.3152 18.3303 179.5743 17 E 3.9852 8.3369 115.9289 59.4859 29.4644 179.2150 18 S 4.1581 8.1796 114.3828 61.1112 62.4044 175.8301 19 F 4.4367 8.5657 123.8069 60.9406 39.0936 177.2316 20 K 3.8550 8.3717 119.4995 59.3305 31.9476 178.6115 21 N 4.2895 8.1491 116.8329 56.2303 38.5073 177.0871 22 F 4.2749 7.8720 122.0547 61.3642 39.4874 176.9849 23 R 3.3353 7.8824 118.6618 59.2946 29.7381 178.1284 24 E 3.8274 8.3755 119.1633 59.0562 29.4075 178.4931 25 A 4.0028 8.1331 120.3993 55.2461 18.4771 179.6367 26 V 3.6797 7.2166 109.8346 64.2186 31.7997 178.7605 27 R 4.0152 7.8911 117.3946 57.6764 31.1648 177.5809 28 S 4.6643 8.1371 113.5046 56.9214 61.9939 173.3670 29 E 4.5766 7.5556 122.3578 54.7195 31.6926 176.6196 30 G 3.3771 8.6789 115.1535 47.8887 0.0000 174.7281 31 K 4.0982 7.7542 118.0358 58.4672 32.2422 177.0599 32 L 4.9493 7.1316 117.1157 52.0202 45.3033 177.0731 33 T 4.1453 9.1326 112.7924 61.2619 70.7496 175.4151 34 E 3.8604 8.6330 122.4411 59.5956 29.6754 178.9569 35 R 3.8727 7.9925 118.0934 59.6212 30.1117 178.1509 36 E 3.9702 8.0277 118.0036 59.4105 29.5650 179.5382 37 K 4.0143 8.3152 118.8588 59.3224 32.0481 179.4925 38 L 4.0511 8.3011 119.8317 57.5921 41.5342 179.4556 39 L 4.0191 7.9464 119.1039 57.9007 41.5749 179.6512 40 I 3.8020 7.7865 119.7201 64.2294 36.9526 178.7430 41 S 4.0275 7.9074 115.8822 61.3139 62.6029 176.8541 42 V 3.5359 7.6507 120.2794 65.9156 31.3443 177.8639 43 A 3.9864 7.9385 120.4882 55.5781 18.1859 179.4495 44 C 4.1948 8.2077 115.1314 63.0307 28.0833 176.5014 45 S 4.1313 8.0815 116.8754 61.4863 62.2835 177.0245 46 V 3.5618 7.8287 120.7629 65.8822 31.1306 177.8221 47 A 3.9684 8.1973 119.7730 55.1015 18.3175 179.0455 48 V 3.8027 7.9046 113.7804 62.4661 32.2031 175.7111 49 R 3.7353 7.9520 115.7574 58.2894 27.7908 176.0425 50 C 4.7073 8.1558 119.1315 54.9519 39.3779 173.5527 51 D 4.3226 8.8167 127.6860 57.4289 40.5205 178.3773 52 A 3.9721 8.0286 120.5188 55.5172 18.2535 180.0419 53 C 4.1746 8.1852 114.2081 60.5462 39.5976 176.2518 54 T 3.8559 8.1606 117.3800 66.6800 68.0307 176.3292 55 R 3.8763 8.5258 120.6299 59.6638 30.0888 178.4352 56 R 3.8734 8.3387 117.8478 59.8936 30.1591 178.8753 57 H 4.2244 8.4263 115.7273 58.6152 28.6514 177.8724 58 A 3.9606 8.3702 123.0147 55.1615 18.3090 179.0184 59 E 3.8559 8.2879 117.9687 59.7214 29.4207 178.7914 60 E 3.9560 8.0007 117.5702 59.0740 29.8259 178.3264 61 A 4.1399 8.0211 121.0087 55.0557 18.4582 179.5495 62 L 4.4120 8.2936 119.2516 57.6363 41.5100 179.7136 63 E 4.0511 8.1375 116.9390 58.7254 29.4285 178.2465 64 A 4.3988 7.3442 118.4291 51.9763 19.0341 177.3093 65 G 4.0758 7.9572 106.4674 45.7495 0.0000 175.2379 66 I 3.8779 7.7478 120.7837 61.5948 37.6962 175.8384 67 T 4.6639 9.8659 116.4568 60.2735 71.6794 176.0358 68 E 4.0103 8.5961 119.9277 59.7411 29.3519 179.6482 69 G 3.7901 8.1935 105.0041 48.2394 0.0000 175.2222 70 E 4.0307 7.9549 119.9043 59.0790 29.3767 179.4412 71 L 4.0113 7.7612 118.9091 57.6590 41.8142 179.2914 72 A 4.0257 8.4240 121.1066 54.9573 18.2606 179.3122 73 E 3.9146 7.9688 118.0625 59.0226 29.5684 178.7072 74 A 3.9303 7.8557 120.4720 55.2676 18.4618 179.4436 75 A 3.9406 8.3931 119.3935 55.1401 18.2975 179.6029 76 A 3.9106 7.8405 119.1413 55.4979 18.4029 179.9964 77 V 3.5009 7.7920 116.2993 66.0496 31.4534 178.1305 78 A 3.9542 7.7989 120.3849 54.9623 18.2288 179.4422 79 A 3.9119 8.1481 119.5030 55.0938 18.3762 179.4428 80 L 3.8618 8.1033 118.9377 58.6301 42.1324 179.3116 81 I 3.5220 8.0052 119.7489 64.4793 36.7756 178.6853 82 R 3.8982 8.0562 118.0119 59.1061 30.1915 178.6798 83 A 4.2583 8.2016 120.7878 55.0064 18.2763 179.8624 84 G 3.6379 8.6523 104.3855 47.9668 0.0000 175.7970 85 S 4.3412 8.5184 116.1930 60.4136 63.0674 175.0467 86 A 4.1422 7.7070 125.7554 52.6607 18.3240 178.7926 *88 N 4.6996 8.2841 120.1467 55.5949 40.9266 176.5935 89 T 3.9145 7.5464 113.2444 66.3671 68.4462 176.4652 90 A 3.9820 8.1760 122.4031 54.7253 17.9096 179.3564 91 S 4.4836 7.9683 113.2989 60.5706 62.6851 175.4789 92 A 4.0872 7.9378 122.6627 53.2668 18.4073 178.9414 93 I 3.8446 7.2590 118.6559 63.0440 38.3613 177.1283 94 F 4.6411 6.6743 119.2569 56.5958 36.7340 175.6577 95 R 4.2579 7.9172 120.0996 56.0063 29.4159 176.2950 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 4 G 8.35 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 5 A 7.34 4.31 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 6 D 7.99 4.76 0.00 3.00 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 7 R 8.01 3.91 0.00 1.84 2.06 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 8 F 8.29 4.41 0.00 3.08 3.25 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 9 L 7.43 3.62 0.00 2.03 1.69 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.67 3.89 0.00 1.96 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 0.00 2.33 2.41 0.00 11 E 7.43 4.26 0.00 1.91 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 2.34 2.52 0.00 12 L 7.13 4.48 0.00 1.46 1.50 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.19 0.00 2.24 2.30 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 14 E 8.04 4.79 0.00 2.06 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 2.39 2.29 0.00 15 V 7.76 3.61 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 1.11 0.00 0.00 0.90 0.00 0.00 16 A 8.21 4.03 1.43 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 17 E 8.34 3.99 0.00 2.23 2.24 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 2.59 2.33 0.00 18 S 8.18 4.16 0.00 4.12 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 19 F 8.57 4.44 0.00 3.32 3.31 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 20 K 8.37 3.86 0.00 1.90 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 21 N 8.15 4.29 0.00 3.04 2.88 0.00 0.00 6.62 8.17 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 22 F 7.87 4.27 0.00 2.95 3.10 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 23 R 7.88 3.34 0.00 1.17 1.72 0.00 3.10 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 24 E 8.38 3.83 0.00 2.11 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 2.27 2.32 0.00 25 A 8.13 4.00 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 26 V 7.22 3.68 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 0.28 0.00 0.00 0.61 0.00 0.00 27 R 7.89 4.02 0.00 1.91 1.93 0.00 3.04 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 28 S 8.14 4.66 0.00 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.56 4.58 0.00 2.15 1.89 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 2.25 2.37 0.00 30 G 8.68 3.38 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 0.00 0.00 0.00 0.00 31 K 7.75 4.10 0.00 1.79 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.72 1.56 7.81 32 L 7.13 4.95 0.00 1.41 1.59 0.91 0.84 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 33 T 9.13 4.15 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 34 E 8.63 3.86 0.00 2.08 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 2.37 2.42 0.00 35 R 7.99 3.87 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 36 E 8.03 3.97 0.00 2.27 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 2.32 2.34 0.00 37 K 8.32 4.01 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 38 L 8.30 4.05 0.00 1.80 1.71 0.92 0.66 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 39 L 7.95 4.02 0.00 1.85 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.79 3.80 1.84 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 1.51 0.92 0.89 0.00 0.00 41 S 7.91 4.03 0.00 3.93 3.52 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 42 V 7.65 3.54 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 1.02 0.00 0.00 0.99 0.00 0.00 43 A 7.94 3.99 1.45 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 0.00 0.00 0.00 44 C 8.21 4.19 0.00 3.03 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 45 S 8.08 4.13 0.00 4.11 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 46 V 7.83 3.56 2.24 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 1.09 0.00 0.00 0.96 0.00 0.00 47 A 8.20 3.97 1.35 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 0.00 0.00 0.00 48 V 7.90 3.80 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 0.88 0.00 0.00 0.96 0.00 0.00 49 R 7.95 3.74 0.00 2.00 2.01 0.00 3.18 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 50 C 8.16 4.71 0.00 2.93 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 51 D 8.82 4.32 0.00 2.80 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 52 A 8.03 3.97 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 53 C 8.19 4.17 0.00 3.19 3.26 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 54 T 8.16 3.86 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 1.22 0.00 0.00 55 R 8.53 3.88 0.00 2.05 1.93 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 56 R 8.34 3.87 0.00 1.83 1.86 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 57 H 8.43 4.22 0.00 3.24 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.37 3.96 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 59 E 8.29 3.86 0.00 2.19 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 0.00 2.31 2.38 0.00 60 E 8.00 3.96 0.00 2.03 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 0.00 2.33 2.33 0.00 61 A 8.02 4.14 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 62 L 8.29 4.41 0.00 1.81 1.73 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.14 4.05 0.00 2.10 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 0.00 2.59 2.47 0.00 64 A 7.34 4.40 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 65 G 7.96 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 0.00 0.00 0.00 66 I 7.75 3.88 1.99 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 1.47 1.40 0.94 0.00 0.00 67 T 9.87 4.66 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 68 E 8.60 4.01 0.00 2.03 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 2.40 2.38 0.00 69 G 8.19 3.79 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 0.00 0.00 0.00 70 E 7.95 4.03 0.00 2.19 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 2.33 2.35 0.00 71 L 7.76 4.01 0.00 1.81 1.71 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.42 4.03 1.35 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 0.00 0.00 0.00 73 E 7.97 3.91 0.00 2.19 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 2.30 2.46 0.00 74 A 7.86 3.93 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 75 A 8.39 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.84 3.91 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 77 V 7.79 3.50 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 1.08 0.00 0.00 0.98 0.00 0.00 78 A 7.80 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.15 3.91 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 80 L 8.10 3.86 0.00 1.76 1.89 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.01 3.52 1.97 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 1.53 0.41 0.92 0.00 0.00 82 R 8.06 3.90 0.00 2.01 2.00 0.00 3.40 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 83 A 8.20 4.26 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 84 G 8.65 3.64 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 0.00 0.00 0.00 85 S 8.52 4.34 0.00 4.05 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 86 A 7.71 4.14 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 *88 N 8.28 4.70 0.00 2.85 3.05 0.00 0.00 7.09 7.22 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 89 T 7.55 3.91 4.37 0.00 0.00 0.00 0.00 0.00 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 90 A 8.18 3.98 1.38 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 0.00 0.00 0.00 91 S 7.97 4.48 0.00 4.05 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 A 7.94 4.09 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 93 I 7.26 3.84 1.02 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.43 0.51 0.00 0.00 94 F 6.67 4.64 0.00 2.92 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 95 R 7.92 4.26 0.00 1.87 1.85 0.00 3.03 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.