NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7308 8.4249 119.2049 53.7394 40.1355 173.3285 6 I 4.4016 7.7194 122.6097 59.2899 41.1642 173.2249 7 K 4.0926 8.6489 123.1354 55.9055 33.2772 176.8094 8 E 3.9775 8.6155 124.7036 55.9334 30.1304 175.8989 9 M 4.1449 8.4601 121.6597 56.0229 31.9966 174.8488 10 N 5.3281 8.4266 123.1140 51.8531 43.1752 172.9561 11 Y 5.3737 7.7293 116.7673 56.2591 41.3439 173.7162 12 E 4.7696 9.1456 119.5927 54.4718 33.5455 174.6507 13 E 4.2139 9.2213 126.2047 56.5319 29.6480 176.2372 14 V 4.3563 8.3384 120.9803 62.9375 33.4835 175.9628 15 F 4.8952 7.0770 112.2145 56.4952 40.5332 173.0881 16 S 5.4443 9.3183 115.4461 56.9491 67.0372 173.3809 17 I 5.1949 8.9230 121.8776 60.1764 41.2180 174.4528 18 T 4.9536 9.0744 124.2824 62.1808 70.3618 173.5165 19 I 4.8497 8.8264 128.3340 59.8160 40.0401 174.8535 20 T 4.9584 8.6929 123.4499 62.1577 70.3030 174.1668 21 V 4.7818 8.1649 119.4642 59.5543 34.5063 175.3541 22 D 4.7241 8.6787 124.1422 52.9895 42.6730 175.9589 23 K 4.1481 8.4521 119.2998 55.5461 32.5603 175.4984 24 P 4.4585 0.0000 0.0000 63.2297 32.2887 176.3503 25 I 4.2067 9.0427 125.0921 59.7883 38.0479 174.5704 26 L 4.2318 8.3632 130.1646 55.2133 42.1301 176.0329 27 I 4.0833 8.8660 128.8239 62.0056 37.5592 176.2185 28 G 4.0859 7.5493 105.7459 46.1723 0.0000 170.8720 29 Q 5.3253 8.5234 120.2764 54.7729 31.9943 172.9346 30 D 4.7958 8.8901 124.2878 52.0247 43.7034 175.0928 31 D 4.8214 8.6602 115.8005 54.5743 40.9185 176.9296 32 I 4.3395 7.9611 119.8964 63.0175 39.3610 177.4342 33 V 3.7562 8.3932 112.6464 64.3112 32.2808 174.7896 34 G 3.7992 7.5315 104.2404 43.7299 0.0000 171.3223 35 R 4.9068 8.8067 121.4731 54.6914 32.2353 176.1989 36 R 5.1438 8.9590 128.1388 54.7993 32.0686 174.8634 37 Q 5.0522 9.1266 123.2731 54.8583 32.8222 173.1937 38 L 5.0832 8.8770 120.9004 53.2016 44.5027 175.5136 39 I 4.5598 8.7720 125.4331 58.8507 38.9728 173.3575 40 P 4.7187 0.0000 0.0000 62.4930 32.5859 175.8141 41 I 4.2663 8.4319 126.1344 60.8743 37.1769 175.9560 42 I 4.1151 8.7784 129.5748 63.8578 37.6591 176.1355 43 S 4.5869 7.4768 113.9439 57.7124 66.8192 172.5786 44 G 4.2788 8.1765 102.5583 45.5454 0.0000 172.2201 45 K 4.9966 8.8763 125.6889 54.3984 34.8267 174.7900 46 V 4.9728 8.7399 127.6051 61.5136 33.7698 174.5964 47 S 5.2669 9.4198 123.4309 56.6692 67.3246 173.5230 48 G 4.3051 8.3709 110.1615 45.9261 0.0000 172.1517 49 N 4.4775 8.9857 118.8069 54.4682 38.8511 174.0156 50 N 4.3130 8.8867 124.1708 53.7584 36.6886 175.4403 51 F 4.6858 7.9332 115.0399 57.4464 40.8205 172.0577 52 N 5.3500 7.9105 120.6793 50.6037 42.5774 175.0471 53 G 4.1981 7.7621 108.4549 46.0170 0.0000 171.5113 54 K 5.1126 7.8907 119.6876 55.1040 36.7603 176.1206 55 V 4.3353 8.3496 121.5166 62.8408 32.0800 175.9579 56 L 4.5233 9.0047 128.0420 53.1652 43.0151 174.7181 57 P 4.4017 0.0000 0.0000 63.1009 31.8384 177.1610 58 G 3.9811 8.8873 107.3659 44.9244 0.0000 173.7153 59 G 3.9456 7.9331 108.2812 46.1042 0.0000 173.0579 60 I 5.1456 8.5511 125.7594 59.5696 41.7629 173.7565 61 D 5.1016 9.0883 126.8458 52.8749 42.9630 174.7786 62 S 5.1133 8.9408 121.9030 57.1448 63.9556 172.7352 63 Q 5.1278 9.1884 126.1903 54.0559 32.8526 174.3521 64 I 4.8394 8.6334 122.4832 59.2524 41.3279 174.3124 65 V 4.4337 8.7548 130.8491 61.7880 32.1160 176.0211 66 R 4.4808 9.1312 128.1397 55.0844 30.7180 176.3485 67 P 4.2227 0.0000 0.0000 65.7318 31.3047 177.5415 68 D 4.4597 7.9770 115.0507 54.0302 39.6167 177.0091 69 G 3.9676 8.3274 109.4600 44.8380 0.0000 173.5675 70 K 4.2378 8.4021 122.4705 56.1335 33.6305 174.9529 71 C 4.9757 8.9799 128.2145 58.2311 33.3489 171.7513 72 E 5.0560 9.1932 126.3803 54.7368 31.4278 174.9114 73 L 5.1197 8.8986 124.2245 53.0026 45.5869 175.8992 74 S 4.8495 9.4053 117.2810 57.0259 65.3873 172.0768 75 A 5.2929 9.0677 129.8624 50.2522 21.7074 175.3714 76 R 5.0462 8.6073 120.4571 54.7600 33.3542 174.6011 77 Y 5.1828 8.3648 121.1937 56.5714 42.1030 172.8463 78 A 5.3095 8.6843 119.5638 50.3788 23.2648 174.9429 79 I 4.9388 8.8219 112.9195 59.0520 41.0849 174.2567 80 R 4.9490 8.9892 124.9734 54.7454 32.2040 175.2844 81 L 4.7484 8.8530 126.7530 53.5260 43.3966 177.4496 82 D 4.5117 8.6631 120.3613 54.8603 39.5816 176.8196 83 D 4.4824 7.8555 118.6781 53.8363 39.9103 177.0572 84 G 3.8943 8.3811 109.3788 45.0755 0.0000 174.0676 85 A 4.2791 8.1869 121.4891 51.8736 19.5467 176.3680 86 A 5.2140 8.4689 120.6293 50.1875 22.3902 175.9450 87 I 4.5779 8.2720 119.8865 59.6377 41.3050 173.9638 88 Y 4.8289 9.1536 129.1560 56.8311 40.3587 173.9855 89 I 4.4013 8.3981 127.5355 59.1493 40.5674 173.8613 90 E 4.6524 8.1672 128.2263 54.3261 31.7726 173.9813 91 N 5.0226 9.2421 127.0480 52.0947 41.3059 172.6232 92 N 5.3315 8.5367 124.7583 51.8728 41.2737 174.3564 93 G 4.1449 8.6566 110.9879 46.0531 0.0000 171.7854 94 I 5.3104 8.5065 113.1991 59.2656 41.7914 174.6850 95 R 5.0781 9.1167 124.0965 54.9774 32.8595 173.9754 96 T 5.0898 9.3254 116.5574 60.0236 72.2430 173.3190 97 V 4.8299 8.2019 114.6859 58.6923 35.5865 173.8863 98 P 4.5008 0.0000 0.0000 62.5162 32.1649 177.1837 99 D 4.4074 8.9463 120.1268 57.7988 40.7483 179.0907 100 E 4.0423 8.0810 114.4354 58.1024 30.0876 177.2233 101 Y 4.5490 8.1209 117.0426 58.0683 38.4924 177.4122 102 I 3.7839 7.5830 122.1487 64.3659 37.0912 177.9818 103 E 3.9494 8.1776 118.6852 59.4636 29.5104 178.9735 104 A 4.0154 8.0764 120.2362 55.3859 18.1736 179.6486 105 V 3.7228 7.6809 115.6299 65.5172 31.7418 177.6852 106 K 4.2666 7.9078 116.0468 55.7282 32.3442 177.9524 107 S 4.5973 7.9502 115.6407 57.3079 62.5832 176.3108 108 G 3.7398 5.3800 116.6506 45.6651 0.0000 173.5805 *111 V 3.8155 8.1054 118.5193 60.2279 32.9509 174.5365 112 D 4.2486 8.3776 118.8090 54.4896 41.2189 175.4651 113 P 4.3791 0.0000 0.0000 65.7997 31.5249 177.9801 114 N 4.5077 8.3276 113.7580 54.9287 38.6124 176.1644 115 A 3.8256 7.4149 121.3923 54.7108 18.5115 177.7076 116 Y 4.6933 7.1677 112.9665 58.1667 38.9548 175.1427 117 Y 4.4923 9.0943 125.4891 56.5015 40.5268 174.2581 118 F 5.3316 8.2695 129.0289 56.6759 41.8763 172.8348 119 R 5.0331 8.7690 123.7906 54.4120 34.6613 174.4226 120 T 5.0552 8.6935 111.4650 60.3133 73.4340 172.6272 121 I 4.8340 8.9522 123.0163 59.0025 39.5701 173.3152 122 P 4.9495 0.0000 0.0000 62.0216 33.0561 175.3200 123 T 4.4217 8.1509 118.0902 61.7377 71.4122 173.2084 124 F 5.2859 8.4468 122.9968 55.6156 42.3583 174.3082 125 E 4.7528 9.1213 122.3486 54.6709 32.9502 174.5658 126 T 4.2159 7.8484 114.9415 59.6072 72.9258 173.2130 127 Y 4.8230 7.9182 118.5913 57.1902 39.5639 175.4922 128 S 4.7550 7.7524 112.0520 56.5603 65.3516 173.4405 129 P 4.3429 0.0000 0.0000 65.3259 31.3708 178.8422 130 K 3.8396 7.6545 117.9082 58.7240 32.2923 176.8770 131 Y 4.6302 7.8725 114.2252 57.4839 38.5828 177.4130 132 K 4.2453 8.2020 122.4053 57.6587 32.0434 179.0148 133 W 4.4724 8.3375 117.2026 59.7731 27.7435 177.8570 134 M 3.9139 7.1163 118.3988 57.2638 31.2845 177.3193 135 M 4.6227 7.6139 116.8751 55.1326 32.5788 175.8827 136 N 5.1493 8.1634 114.9226 52.8920 40.3855 173.5602 137 H 5.0247 8.2571 113.9530 54.0269 33.1141 172.6399 138 I 4.5097 8.0536 121.6703 60.8654 38.6187 175.0028 139 F 5.4747 8.9043 123.0857 55.9121 43.1621 174.2602 140 V 4.6893 9.0356 119.3936 61.4182 35.5467 173.6070 141 C 4.9358 9.1400 126.3228 57.7043 34.5416 172.1121 142 C 4.7890 8.8109 123.7898 58.0812 29.6758 172.7659 143 A 4.9482 8.0339 124.9729 49.8852 21.9363 175.1724 144 S 4.8977 8.7246 113.2020 56.7204 67.0672 172.9405 145 R 4.9887 8.8476 120.2168 54.6806 31.3560 175.6378 146 L 4.8512 8.3514 123.0228 51.8981 44.7990 175.8086 147 P 4.3361 0.0000 0.0000 65.3977 31.4872 177.4383 148 E 4.8413 8.1498 115.1631 55.7517 31.8119 175.1942 149 N 5.7520 8.2411 115.8634 51.8382 43.9005 173.7758 150 V 4.9059 8.7093 119.4202 60.0945 35.2586 173.7539 151 L 5.0753 8.6417 126.0887 53.4328 44.0688 174.8922 152 L 4.9613 9.0661 125.9706 52.7386 45.6051 175.5665 153 K 4.7555 8.6851 121.8641 54.6266 35.6002 175.0157 154 F 4.9489 8.8746 124.3762 55.9217 41.4014 174.4494 155 Y 5.1043 9.1005 120.8199 55.9842 41.2838 174.7900 156 K 3.9283 9.0923 126.1913 55.9710 33.8284 175.6091 157 I 4.5281 8.4296 128.9533 60.6524 37.9020 176.1482 158 S 4.4579 8.6754 123.0417 58.6366 62.4501 174.3644 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 4.73 0.00 2.70 2.78 0.00 0.00 6.81 7.06 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 6 I 7.72 4.40 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.92 0.00 0.00 7 K 8.65 4.09 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 E 8.62 3.98 0.00 1.92 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 2.30 2.31 0.00 9 M 8.46 4.14 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 10 N 8.43 5.33 0.00 2.61 2.57 0.00 0.00 6.59 7.48 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 11 Y 7.73 5.37 0.00 3.09 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 12 E 9.15 4.77 0.00 1.90 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 2.19 2.31 0.00 13 E 9.22 4.21 0.00 1.95 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 2.03 1.59 0.00 14 V 8.34 4.36 2.30 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 0.97 0.00 0.00 1.19 0.00 0.00 15 F 7.08 4.90 0.00 3.25 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 16 S 9.32 5.44 0.00 3.79 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 17 I 8.92 5.19 2.17 0.00 0.00 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 1.54 1.20 1.05 0.00 0.00 18 T 9.07 4.95 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 19 I 8.83 4.85 1.95 0.00 0.00 0.55 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 0.72 0.86 0.00 0.00 20 T 8.69 4.96 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 1.21 0.00 0.00 21 V 8.16 4.78 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 0.60 0.00 0.00 0.92 0.00 0.00 22 D 8.68 4.72 0.00 2.67 2.59 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 23 K 8.45 4.15 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.46 7.81 24 P 0.00 4.46 0.00 1.93 1.98 0.00 3.66 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 2.11 0.00 25 I 9.04 4.21 1.95 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 1.11 0.72 0.91 0.00 0.00 26 L 8.36 4.23 0.00 1.64 1.58 0.95 1.09 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 27 I 8.87 4.08 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 1.16 0.96 0.91 0.00 0.00 28 G 7.55 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 29 Q 8.52 5.33 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 30 D 8.89 4.80 0.00 2.79 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 31 D 8.66 4.82 0.00 2.69 2.73 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 0.00 0.00 0.00 32 I 7.96 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 1.41 0.48 0.91 0.00 0.00 33 V 8.39 3.76 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 0.64 0.00 0.00 1.02 0.00 0.00 34 G 7.53 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 35 R 8.81 4.91 0.00 1.86 1.78 0.00 3.07 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 36 R 8.96 5.14 0.00 1.94 1.88 0.00 3.18 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 37 Q 9.13 5.05 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 38 L 8.88 5.08 0.00 1.59 1.60 0.93 1.12 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 39 I 8.77 4.56 1.86 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 1.35 1.04 0.89 0.00 0.00 40 P 0.00 4.72 0.00 2.07 1.97 0.00 3.62 0.00 0.00 3.99 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 41 I 8.43 4.27 1.91 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.78 0.00 0.00 42 I 8.78 4.12 1.95 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 0.74 0.91 0.00 0.00 43 S 7.48 4.59 0.00 3.85 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 44 G 8.18 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 0.00 0.00 0.00 0.00 45 K 8.88 5.00 0.00 1.84 1.69 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.38 7.81 46 V 8.74 4.97 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 0.99 0.00 0.00 1.01 0.00 0.00 47 S 9.42 5.27 0.00 3.83 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 48 G 8.37 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 0.00 0.00 0.00 49 N 8.99 4.48 0.00 2.74 2.82 0.00 0.00 7.04 7.79 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 50 N 8.89 4.31 0.00 3.00 2.95 0.00 0.00 6.89 7.45 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 51 F 7.93 4.69 0.00 3.17 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 52 N 7.91 5.35 0.00 2.88 2.65 0.00 0.00 6.74 7.58 0.00 0.00 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 G 7.76 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 5.11 0.00 1.77 1.85 0.00 1.29 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.36 7.81 55 V 8.35 4.34 2.20 0.00 0.00 0.00 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 1.02 0.00 0.00 56 L 9.00 4.52 0.00 1.71 1.62 0.93 1.04 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 57 P 0.00 4.40 0.00 2.05 2.01 0.00 3.67 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 2.03 2.08 0.00 58 G 8.89 3.98 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 0.00 0.00 0.00 59 G 7.93 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 60 I 8.55 5.15 1.92 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 1.15 1.13 0.93 0.00 0.00 61 D 9.09 5.10 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 5.11 0.00 3.96 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 63 Q 9.19 5.13 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 64 I 8.63 4.84 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 1.11 1.52 0.91 0.00 0.00 65 V 8.75 4.43 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 0.98 0.00 0.00 0.91 0.00 0.00 66 R 9.13 4.48 0.00 2.06 1.84 0.00 3.35 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 67 P 0.00 4.22 0.00 2.04 2.12 0.00 3.67 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 2.15 2.08 0.00 68 D 7.98 4.46 0.00 2.79 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 69 G 8.33 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 70 K 8.40 4.24 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.40 7.81 71 C 8.98 4.98 0.00 2.96 2.82 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 72 E 9.19 5.06 0.00 1.92 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 2.25 2.27 0.00 73 L 8.90 5.12 0.00 1.64 1.85 0.93 0.74 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 74 S 9.41 4.85 0.00 3.84 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 75 A 9.07 5.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 5.05 0.00 1.88 1.99 0.00 3.25 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 77 Y 8.36 5.18 0.00 3.08 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 A 8.68 5.31 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 79 I 8.82 4.94 1.84 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 1.14 0.60 1.02 0.00 0.00 80 R 8.99 4.95 0.00 1.79 1.74 0.00 3.03 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.71 0.00 81 L 8.85 4.75 0.00 1.38 1.20 -0.38 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.66 4.51 0.00 2.73 2.74 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 83 D 7.86 4.48 0.00 2.80 2.83 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 84 G 8.38 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 0.00 0.00 0.00 0.00 85 A 8.19 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.47 5.21 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 87 I 8.27 4.58 1.64 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.27 0.80 0.00 0.00 88 Y 9.15 4.83 0.00 3.15 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 89 I 8.40 4.40 0.75 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 1.17 0.46 0.48 0.00 0.00 90 E 8.17 4.65 0.00 1.81 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 0.00 2.22 2.30 0.00 91 N 9.24 5.02 0.00 2.87 2.78 0.00 0.00 6.59 6.72 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 92 N 8.54 5.33 0.00 2.73 2.68 0.00 0.00 6.35 7.56 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 93 G 8.66 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 94 I 8.51 5.31 1.96 0.00 0.00 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 1.25 1.07 0.96 0.00 0.00 95 R 9.12 5.08 0.00 1.06 1.39 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.07 0.00 96 T 9.33 5.09 4.29 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 1.28 0.00 0.00 97 V 8.20 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 0.60 0.00 0.00 0.98 0.00 0.00 98 P 0.00 4.50 0.00 2.51 2.06 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 99 D 8.95 4.41 0.00 2.73 2.74 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 0.00 100 E 8.08 4.04 0.00 1.84 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 1.47 1.60 0.00 101 Y 8.12 4.55 0.00 3.03 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 0.00 102 I 7.58 3.78 2.00 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 1.57 1.19 0.93 0.00 0.00 103 E 8.18 3.95 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 2.39 2.31 0.00 104 A 8.08 4.02 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 0.00 105 V 7.68 3.72 2.35 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 0.91 0.00 0.00 1.08 0.00 0.00 106 K 7.91 4.27 0.00 2.03 1.85 0.00 1.75 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.49 7.81 107 S 7.95 4.60 0.00 3.99 3.60 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 0.00 0.00 0.00 0.00 108 G 5.38 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 *111 V 8.11 3.82 2.05 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 0.77 0.00 0.00 0.29 0.00 0.00 112 D 8.38 4.25 0.00 2.72 2.36 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 0.00 113 P 0.00 4.38 0.00 2.25 2.32 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 114 N 8.33 4.51 0.00 2.83 2.84 0.00 0.00 6.99 6.91 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 0.00 115 A 7.41 3.83 0.21 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 0.00 116 Y 7.17 4.69 0.00 2.96 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 0.00 117 Y 9.09 4.49 0.00 3.14 2.92 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 0.00 118 F 8.27 5.33 0.00 2.88 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 0.00 119 R 8.77 5.03 0.00 1.52 1.56 0.00 3.03 0.00 0.00 2.87 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 120 T 8.69 5.06 4.29 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 1.21 0.00 0.00 121 I 8.95 4.83 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 1.29 1.06 0.99 0.00 0.00 122 P 0.00 4.95 0.00 1.22 2.13 0.00 3.87 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 1.97 2.19 0.00 123 T 8.15 4.42 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 0.00 124 F 8.45 5.29 0.00 2.85 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 0.00 125 E 9.12 4.75 0.00 2.10 1.90 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 2.04 2.23 0.00 126 T 7.85 4.22 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 0.96 0.00 0.00 127 Y 7.92 4.82 0.00 3.02 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 0.00 128 S 7.75 4.76 0.00 4.04 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 0.00 129 P 0.00 4.34 0.00 2.21 2.17 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 130 K 7.65 3.84 0.00 1.60 1.44 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.54 1.14 7.81 131 Y 7.87 4.63 0.00 2.95 2.67 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 0.00 0.00 0.00 0.00 132 K 8.20 4.25 0.00 1.86 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.48 7.81 133 W 8.34 4.47 0.00 3.77 3.42 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 0.00 134 M 7.12 3.91 0.00 1.12 1.70 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 1.00 0.81 0.00 135 M 7.61 4.62 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 136 N 8.16 5.15 0.00 2.81 2.80 0.00 0.00 6.68 7.97 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 0.00 137 H 8.26 5.02 0.00 3.05 2.97 0.00 5.69 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 0.00 138 I 8.05 4.51 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.97 0.00 0.00 139 F 8.90 5.47 0.00 2.97 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.04 4.69 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 0.90 0.00 0.00 0.92 0.00 0.00 141 C 9.14 4.94 0.00 2.42 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 C 8.81 4.79 0.00 2.93 2.68 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 0.00 0.00 0.00 143 A 8.03 4.95 -0.31 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 0.00 144 S 8.72 4.90 0.00 3.90 3.96 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 0.00 145 R 8.85 4.99 0.00 1.42 1.88 0.00 3.22 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 1.33 1.01 0.00 146 L 8.35 4.85 0.00 1.78 1.58 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.34 0.00 2.05 2.13 0.00 3.64 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 2.05 2.14 0.00 148 E 8.15 4.84 0.00 1.88 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 2.28 2.30 0.00 149 N 8.24 5.75 0.00 2.70 2.64 0.00 0.00 6.51 7.56 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 0.00 150 V 8.71 4.91 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 0.89 0.00 0.00 0.90 0.00 0.00 151 L 8.64 5.08 0.00 1.79 1.53 0.93 0.47 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 0.00 152 L 9.07 4.96 0.00 1.62 1.03 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.69 4.76 0.00 1.59 1.37 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.31 7.81 154 F 8.87 4.95 0.00 1.97 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 0.00 155 Y 9.10 5.10 0.00 2.76 2.83 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 0.00 156 K 9.09 3.93 0.00 2.00 1.70 0.00 1.27 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.91 7.81 157 I 8.43 4.53 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.94 0.00 0.00 158 S 8.68 4.46 0.00 3.74 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 * Residues marked with a * may have inaccurate shift predictions.