NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.6426 8.1844 120.8008 53.8884 43.2606 176.4528 13 D 4.3840 7.9880 119.4700 54.1123 42.1486 175.4683 14 R 3.9439 8.9764 126.7904 60.3131 30.7794 179.0427 15 I 3.7371 7.6084 118.4076 65.3033 35.2221 179.5880 16 D 4.5752 7.7256 118.0245 57.4241 40.5368 178.5538 17 R 3.8707 8.0306 121.3171 60.2676 29.9949 179.2470 18 N 4.4253 7.9678 120.1123 58.1203 37.1959 180.7872 19 I 4.0839 8.0826 122.4992 64.1256 35.5997 180.3776 20 L 4.1885 7.5122 118.1289 58.1334 41.5492 178.5071 21 N 4.2619 7.9315 115.4267 56.8572 39.2917 176.3307 22 E 4.1719 8.2722 122.4097 59.9877 29.6202 179.9622 23 L 4.1193 7.6280 121.3867 59.4921 40.8431 180.7886 24 Q 4.6033 7.9365 117.9295 58.0228 28.9434 178.3376 25 K 4.5393 8.0067 128.2885 59.2312 32.9159 182.9312 26 D 4.8175 7.7751 116.6820 52.1042 41.7163 178.8190 27 G 3.8551 8.7020 117.7783 48.1058 0.0000 172.3270 28 R 4.2816 7.3798 120.8101 57.1898 29.4235 183.2756 29 I 4.3806 7.5445 120.3585 59.1053 37.7970 178.4057 30 S 4.5399 8.4084 125.6084 56.4956 63.6850 172.3464 31 N 4.3578 8.7254 114.5897 56.9500 37.1578 175.5904 32 V 3.6318 7.8165 109.3463 64.6257 32.0557 176.7089 33 E 4.2636 8.1124 121.2026 58.3950 30.5362 178.6870 34 L 3.9347 8.4878 122.0047 58.1505 41.2403 183.0003 35 S 4.8212 7.6520 117.3158 58.3571 62.0185 177.3139 36 K 4.6522 7.7294 123.7964 56.6771 35.6880 180.8674 37 R 3.8666 7.9521 117.9316 59.1938 30.2421 178.9333 38 V 3.6469 7.2726 110.7733 65.5515 31.5545 175.9547 39 G 3.2374 6.3899 111.0562 45.5336 0.0000 173.2458 40 L 4.8745 7.4940 123.6845 53.0084 44.9907 179.9046 41 S 4.8557 8.1394 110.3393 57.5284 64.1197 169.1109 42 P 4.4742 0.0000 0.0000 66.2072 31.4526 177.4661 43 T 4.4036 7.8664 108.5939 61.8683 70.3309 179.3877 44 P 4.1134 0.0000 0.0000 65.9380 31.3283 177.3251 45 C 4.3714 7.7871 114.2421 60.7903 29.0477 175.5956 46 L 4.2700 7.9532 124.6116 58.1960 41.6219 178.4542 47 E 4.3813 8.1508 120.0992 60.2674 29.8278 183.9100 48 R 4.2507 7.2441 119.0109 62.0722 29.4761 184.5272 49 V 4.0517 8.3858 114.5999 64.2730 31.8030 179.2455 50 R 4.2523 7.6826 122.6268 61.9818 29.3181 184.7796 51 R 4.2689 7.7771 121.5191 61.1937 29.4560 180.9823 52 L 4.6635 8.0025 118.4786 57.7320 41.3140 179.3191 53 E 4.3218 8.1468 120.5398 59.4500 29.2172 179.3310 54 R 4.3162 7.7838 119.9321 60.7261 29.8873 181.8169 55 Q 3.9961 8.4346 118.3407 58.4117 28.7236 176.9569 56 G 3.5906 7.6448 109.7536 45.8779 0.0000 174.5145 57 F 3.7331 7.6851 119.4107 62.1860 39.3778 175.8263 58 I 3.9429 8.1563 123.6628 59.8305 35.4463 178.2413 59 Q 4.1985 8.5998 125.9699 55.4534 29.2037 176.1182 60 G 3.9399 6.5111 104.4768 45.9065 0.0000 170.7849 61 Y 4.7447 8.1582 115.6054 56.6152 41.2604 174.9967 62 T 4.5630 8.2528 114.7602 61.1988 70.4293 172.4044 63 A 4.7564 8.3136 127.4913 50.4399 21.0147 176.4731 64 L 4.6799 8.1814 120.5437 53.2960 43.4895 176.1371 65 L 4.7220 8.0588 120.6440 53.0042 45.8436 176.3364 66 N 4.6561 8.1190 117.9921 50.4312 36.7624 173.6707 67 P 4.4500 0.0000 0.0000 66.2662 31.6412 178.3251 *68 H 4.2622 8.2182 113.6118 56.9063 27.4022 180.0961 69 Y 4.6095 7.6733 114.5620 60.2104 39.1038 175.7695 70 L 4.0663 7.7444 121.0508 54.6000 42.4823 175.8161 71 D 4.4298 8.6221 123.7605 55.3819 40.1439 175.8339 72 A 5.1828 7.8694 135.0000 53.3833 21.0665 177.7820 73 S 4.4339 8.4015 113.3894 59.9774 62.4715 176.1671 74 L 4.7194 8.2099 123.7111 54.2755 44.6472 174.8549 75 L 4.9806 8.3666 128.5739 53.4091 44.7633 175.3044 76 V 4.6637 8.0358 123.7679 60.5502 35.0089 173.3147 77 F 4.9391 9.2444 123.1789 56.6451 41.6675 175.4665 78 V 4.9731 8.6748 114.2834 60.0163 35.7203 174.3594 79 E 4.7263 9.6022 126.7342 55.7248 30.7931 175.7597 80 I 5.0722 8.8774 125.1654 59.8250 40.3986 174.9011 81 T 5.0981 9.2865 123.1016 61.8731 71.3301 172.6647 82 L 4.9301 8.3941 126.8650 53.0242 42.6622 176.0050 83 N 4.4649 8.8234 123.3150 53.7805 39.5464 175.1390 84 R 3.7859 8.8951 125.4157 56.9251 28.2141 171.7634 85 G 3.8405 7.8290 111.0739 44.1198 0.0000 171.2249 86 A 4.6315 7.3427 120.1270 48.9016 21.1766 176.5413 87 P 4.0678 0.0000 0.0000 66.4420 31.8562 177.3120 88 D 4.7512 8.1617 117.8447 54.0302 39.7436 181.8466 89 V 3.6149 8.1637 123.0359 67.4044 31.3467 182.2682 90 F 5.0143 7.4999 121.4452 60.4215 39.1293 178.0377 91 E 4.0716 8.5149 117.6065 61.6693 29.1615 180.9539 92 Q 4.5018 8.4862 120.7443 58.2483 29.3958 177.6460 93 F 4.2142 8.0071 121.4732 61.5960 39.3448 176.7341 94 N 4.2487 8.9883 116.5433 56.0601 39.2668 176.0505 95 T 4.3802 7.9987 111.7457 60.4862 67.2062 174.3454 96 A 4.3796 7.0829 125.9557 53.9753 26.0370 179.3837 97 V 3.2127 7.5054 114.8087 64.0477 32.2133 177.7936 98 Q 3.9994 7.8555 122.6876 59.2667 28.6218 178.5651 99 K 4.2443 7.4562 115.7458 55.1833 31.4908 179.3466 100 L 4.7032 7.6041 121.5064 54.6608 43.5434 177.1442 101 E 4.2808 8.6712 119.8894 57.6543 30.5695 174.5451 102 E 4.5128 8.1238 113.6131 56.7225 29.1041 176.2618 103 I 4.5604 7.7878 113.0485 59.8121 38.9880 174.7083 104 Q 4.1666 8.5428 124.6939 58.7407 28.7052 177.0962 105 E 4.8341 7.5896 115.4681 54.6376 34.1288 173.8483 106 C 5.3515 7.8248 114.9839 59.9989 34.3440 172.5578 107 H 5.0596 8.7605 122.4120 54.0078 33.2446 172.3797 108 L 4.2062 8.6396 123.8647 54.2095 42.2685 175.9842 109 V 4.2748 8.4949 121.6135 59.5935 34.3749 175.3349 110 S 4.4289 9.3402 115.4752 55.7921 64.7293 174.3671 111 G 3.5574 8.4804 113.2459 44.5694 0.0000 172.5388 112 D 4.5057 8.5235 120.1951 55.7800 39.1822 176.3129 113 F 5.1566 7.1503 110.7095 53.9801 41.3788 174.1185 114 D 4.3750 8.8751 119.3704 56.0362 41.8961 176.3269 115 Y 5.8912 8.3705 114.5411 55.4616 41.8060 174.8529 116 L 5.1118 8.6565 122.2191 53.4749 43.5674 175.1488 117 L 4.6644 9.1334 126.7670 54.7592 43.8414 176.5030 118 K 4.8730 8.8184 125.0501 53.5769 32.7917 175.5551 119 T 4.5935 8.3683 121.1961 60.8040 69.4932 172.9693 120 R 5.0250 8.0083 125.8249 54.8063 33.0184 174.7095 121 V 4.3690 9.0013 118.1684 59.4813 36.5205 172.9381 122 P 4.5147 0.0000 0.0000 64.7097 30.9858 177.2904 123 D 4.9731 7.6992 117.5856 50.1235 42.5599 179.1691 124 M 4.2617 8.4179 116.9704 59.3690 32.4767 178.5503 125 S 4.1701 8.0900 113.8319 61.0745 63.5344 175.6668 126 A 4.1191 7.8352 123.3639 55.3825 18.0925 178.5862 127 Y 4.2201 8.3076 119.6706 61.8491 38.6418 179.0037 128 R 3.7253 7.6647 123.3286 62.3526 29.1994 181.3990 129 K 4.2671 7.6415 122.6143 59.2167 31.8401 180.4830 130 L 4.2882 8.1450 123.4483 57.8325 42.1351 177.9830 131 L 4.4060 6.6178 116.9301 54.2834 41.8529 179.8992 132 G 4.0397 8.7896 109.8656 47.4313 0.0000 175.4023 133 E 4.4351 8.2012 114.7292 57.2109 31.1802 180.7227 134 T 4.5270 7.6235 106.4355 63.1436 71.6179 175.4391 135 L 3.8348 8.3483 127.4086 58.2345 41.9496 179.1772 136 L 4.3639 8.0235 116.6878 55.7732 41.0725 179.6462 137 R 4.4930 8.0581 115.8607 56.9072 30.1693 182.1922 138 L 4.1513 7.4755 118.1801 55.0652 42.2048 174.9178 139 P 4.4151 0.0000 0.0000 64.5640 31.0789 177.1252 140 G 4.0294 9.0720 112.9070 44.7997 0.0000 173.1756 141 V 3.8243 7.0687 118.7987 62.0397 31.9226 175.7169 142 N 4.9979 8.6599 116.8506 54.0085 41.8841 174.2507 143 D 4.8984 8.3759 117.1226 52.9105 45.3909 174.7731 144 T 5.6629 8.3057 114.5282 59.6605 71.4136 173.0866 145 R 4.3499 8.6180 126.4697 55.0677 31.8304 175.3305 146 T 4.8657 8.2381 119.1698 60.8430 69.1316 173.3521 147 Y 4.5794 9.0896 126.0939 56.3310 41.0461 174.9337 148 V 4.3565 8.4079 118.3443 60.1500 33.1398 176.4358 149 V 4.1081 8.0590 124.6561 61.1833 32.0928 176.2266 150 M 4.2237 8.5732 123.9328 56.2673 32.5513 176.0263 151 E 4.4299 7.7871 116.5950 55.2903 32.2314 173.9550 152 E 4.5090 8.9280 125.7059 55.0164 30.2817 176.0544 153 V 4.0942 8.2520 125.3240 61.8310 32.4712 176.7029 154 K 4.2037 7.7831 120.7395 54.9647 35.0612 181.2558 155 Q 4.4671 8.6053 123.7368 54.4915 29.2744 171.4625 156 S 4.5704 8.2913 123.1681 56.5993 65.6416 173.3162 157 N 4.7455 8.9952 124.4925 52.5452 37.6435 172.6308 158 R 4.0424 7.5281 119.0584 57.9019 29.9298 182.7477 159 L 4.4578 8.3404 125.4193 53.0915 43.0091 174.7895 160 V 4.2606 8.2211 115.1107 61.4199 31.9498 170.4939 161 I 4.3353 8.1047 126.0154 58.2248 36.7647 175.2795 162 K 4.2665 8.5760 125.9877 53.8206 31.6774 173.3877 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 12 L 8.18 4.64 0.00 1.68 1.61 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.99 4.38 0.00 2.84 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 14 R 8.98 3.94 0.00 1.88 1.89 0.00 3.40 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 15 I 7.61 3.74 1.87 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 1.52 0.56 0.91 0.00 0.00 16 D 7.73 4.58 0.00 2.80 2.57 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 0.00 0.00 0.00 0.00 17 R 8.03 3.87 0.00 1.84 1.96 0.00 3.11 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 18 N 7.97 4.43 0.00 2.77 2.82 0.00 0.00 7.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.08 4.08 1.87 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 1.52 0.54 0.91 0.00 0.00 20 L 7.51 4.19 0.00 1.78 1.64 0.45 0.35 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 21 N 7.93 4.26 0.00 2.68 2.82 0.00 0.00 7.33 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 22 E 8.27 4.17 0.00 2.04 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 2.43 2.47 0.00 23 L 7.63 4.12 0.00 1.69 1.68 0.92 0.78 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 24 Q 7.94 4.60 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.95 0.00 0.00 0.00 0.00 0.00 2.68 2.37 0.00 25 K 8.01 4.54 0.00 1.90 1.76 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 D 7.78 4.82 0.00 2.61 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 27 G 8.70 3.86 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 0.00 0.00 0.00 28 R 7.38 4.28 0.00 1.98 1.80 0.00 3.21 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 29 I 7.54 4.38 1.87 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 1.27 1.24 0.91 0.00 0.00 30 S 8.41 4.54 0.00 3.65 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 31 N 8.73 4.36 0.00 2.64 2.89 0.00 0.00 6.55 7.67 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 32 V 7.82 3.63 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 0.81 0.00 0.00 0.94 0.00 0.00 33 E 8.11 4.26 0.00 2.03 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 2.31 2.34 0.00 34 L 8.49 3.93 0.00 1.59 1.66 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.65 4.82 0.00 3.67 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 36 K 7.73 4.65 0.00 1.61 1.74 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.01 7.81 37 R 7.95 3.87 0.00 1.82 2.03 0.00 3.14 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 1.67 1.72 0.00 38 V 7.27 3.65 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 0.67 0.00 0.00 1.00 0.00 0.00 39 G 6.39 3.24 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 0.00 0.00 0.00 0.00 40 L 7.49 4.87 0.00 1.62 1.45 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.14 4.86 0.00 3.64 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 42 P 0.00 4.47 0.00 2.02 2.14 0.00 3.58 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 2.02 2.09 0.00 43 T 7.87 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 1.21 0.00 0.00 44 P 0.00 4.11 0.00 2.14 2.07 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 45 C 7.79 4.37 0.00 2.95 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 46 L 7.95 4.27 0.00 1.67 1.84 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.15 4.38 0.00 1.96 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 2.22 2.18 0.00 48 R 7.24 4.25 0.00 1.84 1.95 0.00 3.24 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 1.56 1.53 0.00 49 V 8.39 4.05 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 0.91 0.00 0.00 1.00 0.00 0.00 50 R 7.68 4.25 0.00 1.93 1.93 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 51 R 7.78 4.27 0.00 1.76 1.97 0.00 3.24 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 52 L 8.00 4.66 0.00 2.00 1.84 1.02 0.79 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 53 E 8.15 4.32 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.72 0.00 54 R 7.78 4.32 0.00 1.81 1.92 0.00 3.27 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.27 0.00 55 Q 8.43 4.00 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 56 G 7.64 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.69 3.73 0.00 3.29 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 58 I 8.16 3.94 1.87 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 1.30 0.62 0.91 0.00 0.00 59 Q 8.60 4.20 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 60 G 6.51 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 61 Y 8.16 4.74 0.00 2.90 2.87 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 62 T 8.25 4.56 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 1.23 0.00 0.00 63 A 8.31 4.76 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 64 L 8.18 4.68 0.00 1.63 1.58 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.06 4.72 0.00 1.53 1.47 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.12 4.66 0.00 2.68 2.78 0.00 0.00 5.92 7.76 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 67 P 0.00 4.45 0.00 2.04 2.25 0.00 3.66 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 2.02 2.10 0.00 *68 H 8.22 4.26 0.00 2.93 3.00 0.00 7.19 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.67 4.61 0.00 2.92 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 70 L 7.74 4.07 0.00 1.67 1.65 0.95 1.10 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 71 D 8.62 4.43 0.00 2.67 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 72 A 7.87 5.18 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 73 S 8.40 4.43 0.00 3.65 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 74 L 8.21 4.72 0.00 1.87 1.62 0.83 0.32 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 75 L 8.37 4.98 0.00 1.69 1.38 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.04 4.66 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 0.09 0.00 0.00 0.48 0.00 0.00 77 F 9.24 4.94 0.00 3.07 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 78 V 8.67 4.97 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 1.16 0.00 0.00 1.15 0.00 0.00 79 E 9.60 4.73 0.00 1.65 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.96 0.00 80 I 8.88 5.07 2.08 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 0.97 0.00 0.00 81 T 9.29 5.10 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 1.40 0.00 0.00 82 L 8.39 4.93 0.00 1.71 1.58 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.82 4.46 0.00 2.77 2.79 0.00 0.00 6.94 7.65 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 84 R 8.90 3.79 0.00 1.87 1.77 0.00 3.28 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 85 G 7.83 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 86 A 7.34 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 87 P 0.00 4.07 0.00 2.03 2.12 0.00 3.64 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 2.02 2.10 0.00 88 D 8.16 4.75 0.00 2.60 2.62 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 0.00 0.00 0.00 0.00 89 V 8.16 3.61 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 0.75 0.00 0.00 0.93 0.00 0.00 90 F 7.50 5.01 0.00 3.21 3.24 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 0.00 91 E 8.51 4.07 0.00 1.97 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 2.33 1.98 0.00 92 Q 8.49 4.50 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 93 F 8.01 4.21 0.00 3.38 3.33 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 94 N 8.99 4.25 0.00 3.03 2.93 0.00 0.00 6.88 7.05 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 95 T 8.00 4.38 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 96 A 7.08 4.38 1.21 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 0.00 0.00 97 V 7.51 3.21 1.14 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 0.49 0.00 0.00 0.73 0.00 0.00 98 Q 7.86 4.00 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 99 K 7.46 4.24 0.00 1.68 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 100 L 7.60 4.70 0.00 1.64 1.55 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.67 4.28 0.00 1.89 1.95 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 2.28 1.86 0.00 102 E 8.12 4.51 0.00 2.15 2.19 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 2.35 2.29 0.00 103 I 7.79 4.56 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.93 0.00 0.00 104 Q 8.54 4.17 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 105 E 7.59 4.83 0.00 2.05 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 0.00 2.37 2.35 0.00 106 C 7.82 5.35 0.00 2.99 2.80 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 0.00 107 H 8.76 5.06 0.00 3.18 3.17 0.00 5.85 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 0.00 108 L 8.64 4.21 0.00 1.46 1.42 -0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.49 4.27 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 0.66 0.00 0.00 0.37 0.00 0.00 110 S 9.34 4.43 0.00 3.79 3.66 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 0.00 111 G 8.48 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 0.00 0.00 0.00 112 D 8.52 4.51 0.00 2.96 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 0.00 113 F 7.15 5.16 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.88 4.38 0.00 2.57 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 0.00 0.00 0.00 115 Y 8.37 5.89 0.00 3.06 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 0.00 116 L 8.66 5.11 0.00 2.09 1.71 1.01 0.54 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 0.00 117 L 9.13 4.66 0.00 1.90 1.68 1.18 0.53 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 0.00 118 K 8.82 4.87 0.00 1.41 1.65 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.21 7.81 119 T 8.37 4.59 4.30 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 1.40 0.00 0.00 120 R 8.01 5.03 0.00 1.89 1.71 0.00 3.23 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 121 V 9.00 4.37 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 0.71 0.00 0.00 1.07 0.00 0.00 122 P 0.00 4.51 0.00 2.09 2.01 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 123 D 7.70 4.97 0.00 2.61 2.56 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 0.00 124 M 8.42 4.26 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 125 S 8.09 4.17 0.00 3.90 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 0.00 126 A 7.84 4.12 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 0.00 127 Y 8.31 4.22 0.00 3.04 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 0.00 128 R 7.66 3.73 0.00 1.69 1.96 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 129 K 7.64 4.27 0.00 1.89 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 130 L 8.14 4.29 0.00 1.65 1.64 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 131 L 6.62 4.41 0.00 1.66 1.52 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.79 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 0.00 133 E 8.20 4.44 0.00 1.98 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 2.19 2.10 0.00 134 T 7.62 4.53 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 1.18 0.00 0.00 135 L 8.35 3.83 0.00 1.87 1.68 0.96 0.71 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 0.00 136 L 8.02 4.36 0.00 1.71 1.55 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.06 4.49 0.00 1.78 1.84 0.00 3.25 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 138 L 7.48 4.15 0.00 1.93 1.89 1.04 0.67 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 0.00 139 P 0.00 4.42 0.00 2.15 2.07 0.00 3.69 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 2.03 2.09 0.00 140 G 9.07 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 0.00 141 V 7.07 3.82 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 0.86 0.00 0.00 1.00 0.00 0.00 142 N 8.66 5.00 0.00 2.81 2.86 0.00 0.00 6.67 8.06 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 0.00 143 D 8.38 4.90 0.00 2.77 2.48 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 0.00 144 T 8.31 5.66 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 1.28 0.00 0.00 145 R 8.62 4.35 0.00 1.83 1.79 0.00 3.19 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 146 T 8.24 4.87 4.45 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 1.22 0.00 0.00 147 Y 9.09 4.58 0.00 2.96 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 0.00 148 V 8.41 4.36 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 0.50 0.00 0.00 0.91 0.00 0.00 149 V 8.06 4.11 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 0.74 0.00 0.00 1.03 0.00 0.00 150 M 8.57 4.22 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 151 E 7.79 4.43 0.00 1.88 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 0.00 2.16 2.25 0.00 152 E 8.93 4.51 0.00 2.14 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 2.21 2.29 0.00 153 V 8.25 4.09 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 0.72 0.00 0.00 0.94 0.00 0.00 154 K 7.78 4.20 0.00 1.73 1.55 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 0.91 7.81 155 Q 8.61 4.47 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.69 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 156 S 8.29 4.57 0.00 3.58 3.70 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 0.00 157 N 9.00 4.75 0.00 2.74 2.74 0.00 0.00 6.81 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 0.00 158 R 7.53 4.04 0.00 1.86 1.76 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 159 L 8.34 4.46 0.00 1.66 1.52 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.22 4.26 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 0.90 0.00 0.00 0.93 0.00 0.00 161 I 8.10 4.34 1.87 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 1.27 1.15 0.91 0.00 0.00 162 K 8.58 4.27 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.