NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4352 8.3044 120.3280 55.0246 33.4734 173.9852 2 V 3.6889 8.1497 119.0958 62.1560 32.1590 172.1542 3 E 4.6531 9.3687 127.5732 54.1643 33.3048 174.1657 4 L 4.6807 8.3413 125.1644 52.6601 44.0544 176.6341 5 T 4.0712 8.3774 114.0061 61.0155 69.6459 173.1857 6 P 4.2201 0.0000 0.0000 65.9325 31.1290 178.7113 7 A 4.0106 8.1284 118.6994 55.0072 18.3359 179.0457 8 A 4.1552 7.9209 118.6850 54.5082 18.8225 179.8234 9 I 3.7331 7.5727 118.3245 64.5665 37.1284 178.3915 10 Q 3.9178 8.0452 118.7628 58.7710 28.4787 178.1280 11 E 3.9509 8.0829 120.1959 58.6526 29.5012 178.8044 12 L 4.1105 7.7381 119.0463 57.4267 41.7449 178.6565 13 E 3.9416 8.5549 117.9538 60.0707 29.6469 178.6773 14 R 3.7924 8.3340 117.8234 59.9064 29.8619 177.8780 15 L 4.0502 8.0630 117.7692 58.3810 41.7856 179.7963 16 Q 4.0164 8.2446 118.1953 58.9867 29.0387 177.4642 17 T 4.2203 7.4626 107.9255 62.7074 69.1708 174.7669 18 H 4.3735 8.0770 118.1893 56.9311 29.3229 175.1026 *25 A 4.0486 7.6608 121.6739 52.1171 19.3143 175.8309 26 A 4.4299 8.4077 123.7490 52.1095 18.9640 177.2794 27 I 3.6899 7.6705 119.9024 62.1617 37.8244 175.3489 28 L 4.1412 8.4580 131.0326 54.6604 42.3094 175.7329 29 R 4.6783 8.4897 125.9870 54.3728 32.4349 174.5961 30 I 4.6346 8.2207 124.7055 59.5036 40.1445 174.6493 31 Q 4.6390 8.3647 120.6166 54.6765 31.7921 174.2185 32 V 4.5625 8.1410 111.1200 59.4874 34.5758 175.3604 33 Q 4.6374 8.1393 118.6362 53.3493 31.4943 173.4490 34 P 4.3217 0.0000 0.0000 63.3355 32.0320 175.9398 35 S 4.5083 7.9925 114.6768 57.7499 64.7481 172.4785 36 E 4.7508 8.4116 117.4668 55.1512 33.0678 174.0835 37 C 4.6882 8.1512 115.0378 56.5113 32.8841 173.6617 38 G 3.5922 8.2165 108.4336 45.6978 0.0000 172.5222 39 D 4.4822 7.6292 119.4652 52.1473 44.3212 174.4376 40 W 4.2835 8.3172 124.6991 55.3121 30.1442 175.9758 41 R 3.7906 8.2338 124.0280 55.3951 30.2513 175.0800 42 Y 4.2250 7.4725 123.4624 57.4022 38.0331 174.8896 43 D 4.6607 8.6004 126.1217 53.0012 40.9366 176.0525 44 L 4.4502 8.2946 124.3789 53.5686 42.9791 176.2296 45 A 4.7469 8.1166 123.5856 50.6315 22.3955 175.0650 46 L 4.8161 8.3278 119.0619 53.1751 43.7216 176.6939 47 V 4.5394 8.0078 114.5369 59.8912 36.0470 175.3732 48 A 4.1987 8.6754 123.4471 54.7482 18.6678 177.6751 49 E 4.7958 7.7127 112.6822 53.5166 32.9180 174.1598 50 P 4.5769 0.0000 0.0000 62.0334 32.6142 176.2507 51 K 4.2471 8.8634 118.9717 55.4486 32.4266 177.0396 52 P 4.3642 0.0000 0.0000 65.2665 31.3714 177.2176 53 T 4.2042 7.7105 107.4879 62.4436 69.6236 174.4004 54 D 4.7475 8.0410 123.2216 54.1295 42.8424 174.7090 55 L 4.7502 8.6416 122.6421 54.0211 43.5139 175.1203 56 L 5.1197 8.5024 126.6104 54.1675 43.1241 176.2255 57 T 4.5710 8.3816 112.9468 62.3015 72.1911 172.2872 58 Q 5.0545 8.2868 115.7220 56.6968 32.8563 173.5043 59 S 4.4103 8.2634 116.0052 57.5024 65.0004 173.7824 60 Q 3.4851 9.9734 129.1917 57.1917 25.9762 174.9260 61 G 3.8872 8.2509 102.3267 45.3082 0.0000 172.9753 62 W 4.1334 8.1636 120.9098 55.4034 30.0760 175.8289 63 T 4.3967 8.3494 120.5617 63.6382 69.0528 174.0008 64 I 4.6161 8.5190 126.1587 59.5925 40.3342 174.1658 65 A 5.1147 8.7395 129.1313 50.5058 20.7394 175.8539 66 I 4.5394 8.7237 122.7130 58.8552 40.4109 175.2292 67 A 4.9251 8.9983 127.4960 51.8423 18.8476 177.8224 68 A 3.8961 9.0821 125.8826 55.5675 18.5066 179.9238 69 E 3.8842 8.0709 112.7061 59.0906 29.8965 178.0909 70 A 3.9745 7.9297 120.3880 53.4026 19.0378 179.3300 71 A 3.8738 7.8141 118.8518 54.9721 18.2344 179.0400 72 E 3.8118 8.1086 115.8956 59.8170 29.6939 178.9483 73 L 4.0432 7.7262 115.9868 56.8140 41.9917 178.3092 74 L 4.4639 7.7489 118.3844 54.5753 42.2535 176.2807 75 R 3.7571 7.5298 118.0497 57.0759 30.0624 176.4807 76 G 3.9219 8.9242 112.8116 45.2394 0.0000 173.1073 77 L 4.1069 8.0478 122.5982 55.7060 42.7131 176.1238 78 R 4.5861 8.8984 126.2605 54.4488 32.7788 174.3495 79 V 4.2731 8.4142 126.1275 61.4654 33.1569 174.1222 80 D 4.9824 9.1427 128.4972 52.9053 44.5490 173.9603 81 Y 4.8873 8.1443 119.8581 55.9811 42.3762 173.6400 82 I 4.7011 7.7244 126.1593 59.4427 42.1166 173.6754 83 E 4.6778 8.6658 126.9783 54.9026 30.5672 174.1639 84 D 5.2445 8.2987 130.3325 52.1398 41.4754 176.6592 85 L 4.0274 8.4714 116.6421 58.2427 41.8319 177.7539 86 M 4.1215 8.4346 116.6734 55.7763 32.5248 176.0639 87 G 3.7543 8.3094 106.0422 43.7704 0.0000 172.5786 88 G 4.6125 8.3411 104.7228 44.4329 0.0000 173.4169 89 A 4.4438 6.9263 120.4782 50.4029 22.3940 175.8466 90 F 4.4626 8.7943 119.1054 57.8031 40.0389 174.9104 91 R 4.5995 9.1378 121.9233 54.4283 32.6130 174.7938 92 F 5.1407 8.9448 122.4044 55.9849 41.4000 174.6226 93 H 4.8117 9.1606 123.0417 54.4750 32.4835 171.6608 94 N 5.1659 8.6263 124.9355 51.2832 40.8543 173.0668 95 P 4.3386 0.0000 0.0000 65.6176 31.8395 178.4977 96 N 4.2465 7.9697 115.0532 56.7598 38.5077 176.2421 97 A 4.3647 7.5150 114.1450 52.8822 18.5199 178.6196 98 S 4.5786 7.4536 114.0532 57.3796 61.0782 175.1282 99 Q 4.3777 7.4527 120.9657 55.6000 31.5021 172.8384 100 T 4.5645 8.3691 119.7956 60.1972 70.0936 172.2778 101 C 4.4304 8.6339 128.7178 58.1554 32.7147 173.6363 102 G 3.9437 8.2527 115.6096 44.4122 0.0000 172.1631 103 C 4.2712 8.3475 119.2981 58.9876 31.9792 173.9459 104 G 3.8066 8.5830 113.9795 46.5911 0.0000 173.1710 105 M 4.5346 7.5887 118.7139 53.6140 34.2482 174.7401 106 A 4.5627 7.8521 122.1976 50.0552 22.6187 176.1580 107 F 4.3216 8.3520 118.3637 57.7829 39.5658 176.4126 108 R 3.9661 8.8108 121.1680 58.3135 29.7224 176.6562 109 V 4.1921 7.7554 119.0990 60.8452 32.0828 175.2295 110 S 4.3038 8.5332 121.1951 58.3596 63.0024 173.9377 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 1 M 8.30 4.44 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 V 8.15 3.69 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 0.73 0.00 0.00 0.94 0.00 0.00 3 E 9.37 4.65 0.00 1.91 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 0.00 2.18 2.29 0.00 4 L 8.34 4.68 0.00 1.63 1.56 0.93 0.90 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 5 T 8.38 4.07 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 6 P 0.00 4.22 0.00 2.18 2.16 0.00 3.61 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 2.12 2.17 0.00 7 A 8.13 4.01 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 8 A 7.92 4.16 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 9 I 7.57 3.73 1.88 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 1.64 0.72 0.96 0.00 0.00 10 Q 8.05 3.92 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 11 E 8.08 3.95 0.00 2.03 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 2.32 2.41 0.00 12 L 7.74 4.11 0.00 1.96 1.70 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.55 3.94 0.00 1.95 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 0.00 2.35 2.47 0.00 14 R 8.33 3.79 0.00 1.93 2.13 0.00 3.27 0.00 0.00 3.22 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 15 L 8.06 4.05 0.00 1.93 1.78 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.24 4.02 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 17 T 7.46 4.22 4.19 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 0.00 0.00 1.25 0.00 0.00 18 H 8.08 4.37 0.00 3.38 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 A 7.66 4.05 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 26 A 8.41 4.43 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 27 I 7.67 3.69 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 0.86 0.91 0.00 0.00 28 L 8.46 4.14 0.00 1.63 1.58 0.93 0.92 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 29 R 8.49 4.68 0.00 1.77 1.76 0.00 3.23 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 30 I 8.22 4.63 1.88 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 1.48 0.80 0.92 0.00 0.00 31 Q 8.36 4.64 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 32 V 8.14 4.56 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 0.79 0.00 0.00 0.93 0.00 0.00 33 Q 8.14 4.64 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 34 P 0.00 4.32 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 S 7.99 4.51 0.00 3.76 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 36 E 8.41 4.75 0.00 1.87 1.72 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 2.17 2.30 0.00 37 C 8.15 4.69 0.00 2.97 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 38 G 8.22 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 39 D 7.63 4.48 0.00 2.47 2.31 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 40 W 8.32 4.28 0.00 3.13 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 41 R 8.23 3.79 0.00 1.63 1.71 0.00 3.17 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 42 Y 7.47 4.22 0.00 2.23 2.60 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 43 D 8.60 4.66 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 44 L 8.29 4.45 0.00 1.59 1.46 0.53 0.76 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 45 A 8.12 4.75 1.20 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 46 L 8.33 4.82 0.00 1.68 1.69 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.01 4.54 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 48 A 8.68 4.20 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 49 E 7.71 4.80 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 50 P 0.00 4.58 0.00 2.19 2.08 0.00 3.77 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 1.99 1.99 0.00 51 K 8.86 4.25 0.00 1.91 1.77 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.38 7.81 52 P 0.00 4.36 0.00 2.17 2.18 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 1.99 1.95 0.00 53 T 7.71 4.20 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 54 D 8.04 4.75 0.00 2.64 2.75 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 55 L 8.64 4.75 0.00 1.75 1.52 0.91 0.72 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 56 L 8.50 5.12 0.00 1.57 1.58 0.93 0.86 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 57 T 8.38 4.57 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 1.21 0.00 0.00 58 Q 8.29 5.05 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 59 S 8.26 4.41 0.00 3.82 3.72 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 60 Q 9.97 3.49 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 61 G 8.25 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 62 W 8.16 4.13 0.00 3.66 3.23 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 63 T 8.35 4.40 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 64 I 8.52 4.62 1.91 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 1.24 1.34 0.92 0.00 0.00 65 A 8.74 5.11 1.24 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 66 I 8.72 4.54 1.98 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 1.15 0.68 0.89 0.00 0.00 67 A 9.00 4.93 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 68 A 9.08 3.90 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 69 E 8.07 3.88 0.00 1.87 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 2.29 2.34 0.00 70 A 7.93 3.97 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 71 A 7.81 3.87 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 72 E 8.11 3.81 0.00 1.91 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 2.25 2.39 0.00 73 L 7.73 4.04 0.00 1.63 1.55 -0.26 0.56 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 74 L 7.75 4.46 0.00 1.74 1.66 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.53 3.76 0.00 1.89 1.92 0.00 3.33 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 76 G 8.92 3.92 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 0.00 0.00 0.00 77 L 8.05 4.11 0.00 1.54 1.66 0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.90 4.59 0.00 1.91 1.90 0.00 3.04 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 79 V 8.41 4.27 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 0.50 0.00 0.00 0.87 0.00 0.00 80 D 9.14 4.98 0.00 2.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 4.89 0.00 2.97 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 82 I 7.72 4.70 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.80 0.00 0.00 83 E 8.67 4.68 0.00 1.94 1.82 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 2.19 2.34 0.00 84 D 8.30 5.24 0.00 2.79 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 85 L 8.47 4.03 0.00 1.64 1.76 0.91 0.84 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 86 M 8.43 4.12 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 87 G 8.31 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 0.00 0.00 0.00 88 G 8.34 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 89 A 6.93 4.44 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 90 F 8.79 4.46 0.00 2.83 2.28 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 91 R 9.14 4.60 0.00 1.58 1.78 0.00 3.20 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 92 F 8.94 5.14 0.00 3.11 2.94 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 93 H 9.16 4.81 0.00 3.29 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.63 5.17 0.00 2.90 2.79 0.00 0.00 7.16 7.71 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 95 P 0.00 4.34 0.00 2.25 2.13 0.00 3.71 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 96 N 7.97 4.25 0.00 2.90 2.91 0.00 0.00 7.01 7.23 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 97 A 7.52 4.36 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.45 4.58 0.00 3.78 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 99 Q 7.45 4.38 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.45 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 100 T 8.37 4.56 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 1.21 0.00 0.00 101 C 8.63 4.43 0.00 2.98 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 0.00 102 G 8.25 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 0.00 103 C 8.35 4.27 0.00 2.91 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 0.00 104 G 8.58 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.59 4.53 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 106 A 7.85 4.56 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 0.00 107 F 8.35 4.32 0.00 3.02 2.94 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 0.00 108 R 8.81 3.97 0.00 1.94 2.08 0.00 3.02 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 109 V 7.76 4.19 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 0.86 0.00 0.00 0.94 0.00 0.00 110 S 8.53 4.30 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.