NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6307 8.4249 118.1190 52.9090 40.1688 173.9239 -4 L 4.2213 8.6354 121.5108 53.2404 43.0357 176.3590 -3 Y 4.0450 8.7617 121.4024 61.1453 39.3603 178.3577 -2 F 4.3651 8.4657 112.9636 59.4479 38.1547 176.4908 -1 Q 3.8491 7.0287 117.4166 57.8329 29.0247 175.8460 0 G 3.8675 7.4730 108.6436 44.4572 0.0000 173.1026 1 L 4.4653 7.9649 117.1400 54.4871 43.0478 178.5814 2 S 4.0233 7.8467 115.9576 61.2223 62.7868 174.6783 3 P 4.4846 0.0000 0.0000 64.6273 31.3858 177.1187 4 Q 4.1145 8.2325 117.3270 56.8438 29.0096 175.0979 5 V 4.9530 7.5755 119.0818 61.1738 32.6573 175.0439 6 R 5.1277 9.1115 124.9687 54.1103 32.9075 175.1892 7 T 3.9778 8.7273 110.6546 61.9087 69.4666 173.3902 8 A 4.8089 8.3435 126.3775 51.0694 20.7621 175.8842 9 H 4.9303 8.9177 115.4288 52.6894 32.0693 174.4293 10 I 3.7070 8.4739 118.2053 64.3104 37.2870 177.4265 11 G 3.8225 8.1864 104.3543 46.7079 0.0000 174.1558 12 D 4.5266 8.0107 120.4619 54.6881 41.0197 178.2397 13 V 3.3176 7.5058 120.3455 65.5942 31.5270 175.9495 14 P 4.1999 0.0000 0.0000 65.6416 31.1107 178.7813 15 V 3.5722 7.5781 116.5188 65.7836 31.3003 177.8582 16 L 3.3771 7.6729 118.3395 57.5064 41.3092 179.3609 17 V 3.8290 7.5672 117.4488 65.9079 31.5380 177.7104 18 R 4.1300 7.6411 117.2755 59.3073 29.9839 178.8956 19 L 4.3263 7.7007 115.0368 55.5311 40.9602 178.2610 16 S 3.5071 7.8229 112.2395 60.7064 62.7092 176.3609 17 E 4.0590 7.9572 118.4488 60.3079 28.5380 178.0104 18 F 4.4100 7.7111 117.0755 61.0073 38.6839 178.3956 19 Y 4.5363 7.6607 113.5368 58.3311 36.3602 176.5610 25 Q 4.3064 8.0910 121.4230 58.5965 28.9890 177.7224 26 E 3.9209 8.1980 118.9016 58.5402 29.8249 177.5001 27 A 4.1124 7.4841 117.9374 51.6016 19.1837 177.5579 28 G 3.6302 7.6905 105.5452 45.2091 0.0000 173.4079 29 F 5.1828 7.4906 116.9756 55.3290 41.4128 174.3513 30 A 4.6646 8.6253 126.2136 50.6055 20.2279 176.3961 31 L 4.5098 8.2686 124.4562 52.2638 43.6005 174.9145 32 P 4.3304 0.0000 0.0000 62.5592 32.5216 176.2276 33 H 4.0578 8.9363 122.5797 59.6632 29.7866 176.8646 34 D 4.3187 8.1716 119.6669 57.4763 40.7326 178.6651 35 A 3.9076 7.9388 120.3681 54.9522 18.4299 179.3972 36 A 3.7730 7.8648 119.1668 55.2544 18.4178 179.8031 37 I 3.6865 7.8071 118.4122 64.5742 37.1567 178.4391 38 R 3.8371 8.2062 119.4129 59.4465 29.8462 178.3713 39 A 3.8696 7.9325 120.2149 55.2760 18.3179 179.6697 40 F 4.2491 8.0706 116.3014 60.6913 38.9727 178.1514 41 K 4.0015 8.5150 118.1732 59.2189 31.5869 179.2371 42 A 3.9847 7.9789 120.3776 55.1119 18.5912 179.2132 43 L 4.0681 7.9290 118.7987 58.3804 42.0365 179.2028 44 L 4.1803 8.1967 117.9600 57.2754 41.5933 179.0548 45 G 4.0331 8.0007 104.1463 45.0618 0.0000 173.9732 46 K 4.4962 7.7864 121.4158 53.3895 32.9110 174.2607 47 P 4.5320 0.0000 0.0000 65.0640 31.6878 178.5977 48 D 4.4890 8.0862 116.8034 56.9587 41.0909 177.5328 49 L 4.1983 8.4595 119.6269 55.5726 42.2432 177.4822 50 G 4.0745 6.0112 104.0438 45.3106 0.0000 171.8321 51 R 4.6250 8.3759 118.1273 54.7575 35.1648 174.4624 52 I 5.2361 7.8656 120.9425 59.4474 41.2133 174.4695 53 W 5.2501 9.5230 125.2359 54.9930 32.8186 174.5016 54 L 5.2943 9.2437 122.8241 53.3798 44.3963 175.4839 55 I 4.8698 8.7794 123.0072 59.7971 39.1243 174.5212 56 A 5.1834 9.0939 129.7449 50.3005 21.3654 176.0743 57 E 4.4222 9.1656 121.9716 55.4317 33.3300 175.5642 58 G 3.7705 8.3463 116.9004 47.4851 0.0000 173.6292 59 T 4.4837 8.7389 113.9802 60.8306 69.0043 173.7721 60 E 4.7470 8.0465 121.4272 54.8069 32.8491 175.1256 61 S 4.8601 8.5994 118.3165 58.5161 63.8052 174.4845 62 V 4.3621 8.6686 117.5328 60.5518 33.2873 175.0589 63 G 4.3761 7.7894 107.7430 46.7888 0.0000 171.6075 64 Y 5.5782 8.4674 117.0708 56.2695 41.9263 173.5573 65 I 5.1438 9.2012 119.5497 59.5214 42.1493 173.5971 66 V 5.0864 9.1443 128.6286 61.1435 34.3443 173.6217 67 L 5.4066 9.4568 130.8393 53.7723 43.9705 175.1107 68 T 5.2802 9.0607 116.2610 59.9727 72.0029 172.9692 69 L 5.4290 8.5373 122.5390 53.4204 44.9174 176.1526 70 G 4.4122 8.8947 107.8352 44.9971 0.0000 172.2738 71 F 4.7777 8.9255 123.8414 58.2838 40.6892 174.1519 72 S 4.5341 7.5035 117.7980 56.9897 65.8223 173.4397 *74 E 4.1159 8.8175 118.9340 55.8412 30.7240 176.0182 75 Y 4.2730 7.7432 112.9702 56.6698 38.9391 175.5853 76 G 3.9338 7.8557 108.0406 46.1805 0.0000 173.4638 77 G 3.8277 6.4749 105.1196 45.6283 0.0000 173.2612 78 L 4.7752 8.0693 119.7034 54.7085 43.0194 176.7103 79 R 4.8115 9.3385 119.0311 54.2885 33.0222 174.5981 80 G 4.6101 8.8272 106.8057 44.4712 0.0000 171.8370 81 F 5.2850 9.2396 119.4299 55.3680 42.6558 175.3309 82 V 4.3477 8.7872 124.1566 62.8341 29.7316 174.8376 83 D 4.7283 9.3889 128.1123 56.6533 41.9934 175.7651 84 D 5.1140 8.0621 115.8182 53.3049 45.9027 174.7655 85 F 5.1241 8.4095 122.3646 57.6498 42.1578 173.0426 86 F 4.2698 8.7958 128.6283 56.2571 42.7882 173.1129 87 V 4.2331 7.1407 125.0034 60.3660 33.8986 175.2061 88 R 3.5179 8.3409 126.9395 56.0549 30.9714 175.7740 89 P 4.1208 0.0000 0.0000 65.8255 31.4358 178.3815 90 N 4.3707 8.1462 112.5839 54.6761 37.3494 175.1399 91 A 4.4794 7.7582 120.7310 51.8303 19.6608 177.1000 92 R 3.9921 7.5020 115.4842 56.9413 30.7741 176.7169 93 G 3.8466 8.6604 106.8977 46.3388 0.0000 174.3590 94 K 4.3093 8.1386 115.7038 55.5165 33.4115 177.1421 95 G 3.9466 8.1500 107.9015 45.6023 0.0000 175.5367 96 L 4.0718 7.8043 120.8162 57.5011 41.6339 179.3575 97 G 3.7579 8.0320 105.0768 47.7892 0.0000 175.3913 98 A 4.0167 8.0018 122.6583 54.8135 18.4766 179.4054 99 A 3.8563 7.9607 118.9111 55.1516 18.4661 179.6500 100 A 3.7805 8.1668 119.4176 55.3605 18.3967 179.9153 101 L 3.7663 7.8463 117.4144 57.7758 41.5970 179.5308 102 Q 3.8585 8.0290 119.5948 59.3806 28.8906 178.4364 103 T 3.6367 7.7248 116.7241 66.5019 68.3411 176.7969 104 V 2.7603 7.1651 120.0028 65.4956 31.5034 177.9546 105 K 3.8231 8.0332 119.5374 59.4879 31.9415 178.5162 106 Q 4.0276 8.4300 120.4103 59.0665 29.0771 178.3868 107 G 3.8048 8.2597 106.9761 48.0684 0.0000 175.3162 108 C 4.1751 8.4190 119.5585 62.8983 28.2042 176.0665 109 C 4.1036 8.1364 118.1144 63.0124 27.4788 175.9920 110 D 4.4531 8.2780 119.5943 56.7393 40.4662 177.8365 111 L 4.5074 7.6182 116.5740 53.8998 42.0211 177.2205 112 G 3.8791 7.7582 106.9743 45.9570 0.0000 173.9888 113 V 3.8295 7.8038 119.8099 62.9924 31.4182 176.3662 114 R 4.3198 8.9415 126.0403 57.3090 31.0239 176.1285 115 A 4.2115 7.0555 118.4577 50.6745 22.5567 174.8400 116 L 4.9743 8.1324 120.8432 53.3522 44.8404 175.6053 117 L 5.1314 8.7585 125.8867 53.0569 45.6924 175.7555 118 V 4.6680 7.8627 118.7541 60.4557 34.1525 174.0569 119 E 4.5072 8.7999 123.7786 55.8670 31.3420 175.6846 120 T 4.3402 7.8622 115.8152 60.8757 69.1849 174.5764 *129 G 3.9445 8.4185 104.5914 45.5311 0.0000 174.5229 130 V 3.5621 7.4397 119.0075 65.3260 31.6823 177.9577 131 Y 4.4547 7.6644 116.0447 61.1559 37.8256 178.1270 132 S 4.8434 8.1712 114.9169 61.1699 62.3858 176.2446 133 R 4.1151 7.8607 117.9950 58.1086 29.8836 177.7114 134 A 4.4916 7.5518 118.5979 51.9075 19.1055 177.8047 135 G 3.7723 8.0550 106.2974 45.0220 0.0000 173.7265 136 F 4.4022 8.3549 119.9272 56.6704 39.4668 174.8182 137 E 5.0689 8.4278 124.2519 53.7121 32.7985 175.3665 138 E 4.0660 8.6670 121.7334 56.6741 30.0858 177.1918 139 S 4.2552 8.7427 120.2781 59.0068 63.8152 175.3897 140 G 3.9989 8.3856 107.5309 45.6508 0.0000 174.0453 141 R 4.4748 7.1996 118.7141 55.3116 30.1938 176.1368 *143 L 4.0538 8.3386 125.7480 55.9629 42.8608 176.2757 144 L 4.8077 8.1322 125.1461 53.3483 44.3891 175.4304 145 G 4.1495 8.0511 107.7717 45.3567 0.0000 172.7787 146 Q 4.4743 8.2068 116.4111 54.2358 31.4368 174.4495 147 A 4.2341 8.4828 124.2509 52.0816 19.2129 177.2110 148 L 4.5303 8.2700 119.5962 54.5702 42.9312 175.9525 149 A 4.5602 7.2446 119.6562 50.1668 21.9423 174.2429 150 P 4.3259 0.0000 0.0000 61.6085 32.1213 175.1281 151 P 4.4724 0.0000 0.0000 62.1370 32.0592 177.1165 152 I 3.6222 8.2277 118.6860 64.0597 37.8652 175.8575 153 H 4.7532 8.1242 113.8327 55.2826 28.6076 174.9097 154 E 4.1771 7.9503 125.5075 57.0060 30.1642 175.4214 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 -5 N 8.42 4.63 0.00 2.66 2.70 0.00 0.00 6.98 6.97 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 -4 L 8.64 4.22 0.00 1.62 1.73 1.14 0.56 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 -3 Y 8.76 4.04 0.00 3.10 3.07 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 -2 F 8.47 4.37 0.00 3.28 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 -1 Q 7.03 3.85 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 0 G 7.47 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 1 L 7.96 4.47 0.00 1.62 1.61 0.91 0.79 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 2 S 7.85 4.02 0.00 3.38 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 3 P 0.00 4.48 0.00 2.02 2.16 0.00 3.48 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 4 Q 8.23 4.11 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 5 V 7.58 4.95 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 0.74 0.00 0.00 0.90 0.00 0.00 6 R 9.11 5.13 0.00 1.96 2.07 0.00 2.89 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 7 T 8.73 3.98 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 1.14 0.00 0.00 8 A 8.34 4.81 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.92 4.93 0.00 3.20 3.38 0.00 5.29 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.47 3.71 1.88 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 1.57 1.19 0.92 0.00 0.00 11 G 8.19 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.01 4.53 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.51 3.32 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 1.09 0.00 0.00 0.93 0.00 0.00 14 P 0.00 4.20 0.00 2.16 2.08 0.00 3.72 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 2.09 2.13 0.00 15 V 7.58 3.57 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 1.11 0.00 0.00 0.91 0.00 0.00 16 L 7.67 3.38 0.00 0.79 0.13 0.43 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.57 3.83 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 0.78 0.00 0.00 1.00 0.00 0.00 18 R 7.64 4.13 0.00 1.89 2.10 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 19 L 7.70 4.33 0.00 1.80 2.18 1.08 1.37 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 16 S 7.82 3.51 0.00 3.06 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 17 E 7.96 4.06 0.00 2.05 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 2.32 2.19 0.00 18 F 7.71 4.41 0.00 3.17 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 19 Y 7.66 4.54 0.00 3.21 3.54 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 25 Q 8.09 4.31 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 26 E 8.20 3.92 0.00 2.21 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 0.00 2.33 2.42 0.00 27 A 7.48 4.11 0.66 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 0.00 0.00 28 G 7.69 3.63 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 0.00 0.00 0.00 29 F 7.49 5.18 0.00 3.23 2.91 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 30 A 8.63 4.66 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 31 L 8.27 4.51 0.00 1.38 1.51 0.36 0.78 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 32 P 0.00 4.33 0.00 2.16 1.95 0.00 3.70 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 2.18 2.13 0.00 33 H 8.94 4.06 0.00 3.22 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.17 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 35 A 7.94 3.91 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 36 A 7.86 3.77 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 37 I 7.81 3.69 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.90 0.00 0.00 38 R 8.21 3.84 0.00 2.00 2.03 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 39 A 7.93 3.87 1.13 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 40 F 8.07 4.25 0.00 3.07 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 41 K 8.51 4.00 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 42 A 7.98 3.98 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 43 L 7.93 4.07 0.00 1.81 1.74 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.20 4.18 0.00 1.71 1.72 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.00 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 46 K 7.79 4.50 0.00 1.72 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.39 7.81 47 P 0.00 4.53 0.00 2.21 2.09 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 48 D 8.09 4.49 0.00 2.69 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 49 L 8.46 4.20 0.00 1.82 1.74 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 G 6.01 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 51 R 8.38 4.62 0.00 1.36 0.80 0.00 2.92 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 52 I 7.87 5.24 1.86 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 1.10 0.00 0.00 53 W 9.52 5.25 0.00 3.33 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 54 L 9.24 5.29 0.00 1.61 1.63 0.90 0.77 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 55 I 8.78 4.87 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.92 0.00 0.00 56 A 9.09 5.18 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 57 E 9.17 4.42 0.00 1.89 1.75 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 2.19 2.23 0.00 58 G 8.35 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 0.00 0.00 0.00 59 T 8.74 4.48 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 1.22 0.00 0.00 60 E 8.05 4.75 0.00 2.15 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 61 S 8.60 4.86 0.00 3.89 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 62 V 8.67 4.36 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 0.73 0.00 0.00 0.95 0.00 0.00 63 G 7.79 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 0.00 0.00 0.00 0.00 64 Y 8.47 5.58 0.00 3.29 3.11 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 65 I 9.20 5.14 1.82 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.36 1.01 0.00 0.00 66 V 9.14 5.09 2.41 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 1.16 0.00 0.00 1.44 0.00 0.00 67 L 9.46 5.41 0.00 2.12 2.04 1.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 T 9.06 5.28 4.32 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 1.33 0.00 0.00 69 L 8.54 5.43 0.00 1.75 1.67 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.89 4.41 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 0.00 71 F 8.93 4.78 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.50 4.53 0.00 3.88 3.71 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 *74 E 8.82 4.12 0.00 1.94 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 1.47 2.08 0.00 75 Y 7.74 4.27 0.00 2.86 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 76 G 7.86 3.93 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 0.00 0.00 0.00 77 G 6.47 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 0.00 0.00 0.00 78 L 8.07 4.78 0.00 1.61 1.61 0.99 0.88 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 79 R 9.34 4.81 0.00 1.48 1.79 0.00 2.51 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.36 0.00 80 G 8.83 4.61 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 0.00 0.00 0.00 81 F 9.24 5.29 0.00 2.93 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 82 V 8.79 4.35 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 0.64 0.00 0.00 0.91 0.00 0.00 83 D 9.39 4.73 0.00 2.82 2.81 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 84 D 8.06 5.11 0.00 2.89 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 85 F 8.41 5.12 0.00 2.86 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 86 F 8.80 4.27 0.00 1.71 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 0.00 0.00 0.00 87 V 7.14 4.23 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.63 0.00 0.00 88 R 8.34 3.52 0.00 1.69 1.91 0.00 3.23 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 89 P 0.00 4.12 0.00 2.16 2.11 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 2.18 2.16 0.00 90 N 8.15 4.37 0.00 2.78 2.93 0.00 0.00 5.85 7.26 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 91 A 7.76 4.48 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 92 R 7.50 3.99 0.00 1.87 1.74 0.00 3.11 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 93 G 8.66 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 94 K 8.14 4.31 0.00 1.66 1.76 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.51 7.81 95 G 8.15 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 96 L 7.80 4.07 0.00 1.64 1.70 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.03 3.76 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 0.00 0.00 0.00 98 A 8.00 4.02 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 99 A 7.96 3.86 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 0.00 100 A 8.17 3.78 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 0.00 101 L 7.85 3.77 0.00 1.85 1.83 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.03 3.86 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 103 T 7.72 3.64 3.89 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 0.51 0.00 0.00 104 V 7.17 2.76 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 1.05 0.00 0.00 0.46 0.00 0.00 105 K 8.03 3.82 0.00 1.83 1.83 0.00 1.52 0.00 0.00 1.33 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.32 7.81 106 Q 8.43 4.03 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 107 G 8.26 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 0.00 108 C 8.42 4.18 0.00 3.11 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 0.00 109 C 8.14 4.10 0.00 3.09 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 0.00 110 D 8.28 4.45 0.00 2.86 2.78 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 0.00 111 L 7.62 4.51 0.00 1.83 1.74 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.76 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 0.00 113 V 7.80 3.83 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 0.69 0.00 0.00 0.95 0.00 0.00 114 R 8.94 4.32 0.00 1.38 1.85 0.00 3.41 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 115 A 7.06 4.21 0.38 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 0.00 116 L 8.13 4.97 0.00 1.48 1.36 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.76 5.13 0.00 1.16 1.42 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.86 4.67 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 -0.50 0.00 0.00 0.42 0.00 0.00 119 E 8.80 4.51 0.00 2.01 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 2.33 2.38 0.00 120 T 7.86 4.34 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 1.12 0.00 0.00 *129 G 8.42 3.94 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 0.00 0.00 0.00 130 V 7.44 3.56 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 1.04 0.00 0.00 0.79 0.00 0.00 131 Y 7.66 4.45 0.00 3.11 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 0.00 132 S 8.17 4.84 0.00 3.98 4.06 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 0.00 0.00 0.00 0.00 133 R 7.86 4.12 0.00 1.86 1.99 0.00 3.20 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 134 A 7.55 4.49 1.63 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 0.00 0.00 135 G 8.05 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 0.00 0.00 0.00 136 F 8.35 4.40 0.00 3.31 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 0.00 137 E 8.43 5.07 0.00 1.91 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 2.34 0.00 138 E 8.67 4.07 0.00 1.95 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 2.39 2.33 0.00 139 S 8.74 4.26 0.00 4.05 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 0.00 140 G 8.39 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 0.00 0.00 0.00 141 R 7.20 4.47 0.00 1.81 1.75 0.00 3.23 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 *143 L 8.34 4.05 0.00 1.64 1.65 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.13 4.81 0.00 1.65 1.54 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.05 4.15 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 0.00 0.00 0.00 146 Q 8.21 4.47 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 147 A 8.48 4.23 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 0.00 148 L 8.27 4.53 0.00 1.60 1.67 0.91 0.72 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 0.00 149 A 7.24 4.56 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.33 0.00 1.99 1.93 0.00 3.65 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 1.98 2.03 0.00 151 P 0.00 4.47 0.00 2.15 2.15 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 152 I 8.23 3.62 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.81 0.00 0.00 153 H 8.12 4.75 0.00 3.56 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.95 4.18 0.00 1.93 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 0.00 2.09 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.