NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.4817 8.2993 120.0088 58.4087 33.8857 175.4253 12 F 4.7269 8.7790 103.9700 55.8684 38.5263 171.6741 13 R 3.5659 8.2162 126.3771 59.7593 31.4430 178.4329 14 V 3.3271 7.3486 119.6093 64.1628 31.2862 173.9646 15 R 3.4653 7.4331 115.9190 56.6403 27.3199 176.7392 16 N 4.4476 7.9519 117.9921 56.2340 39.9735 179.0301 17 R 4.2657 7.4568 114.6100 54.7030 28.9282 177.7237 18 I 3.5433 8.6998 119.9855 62.5305 35.7609 176.5342 19 K 4.1995 7.6338 119.7420 56.0317 31.2581 177.1370 20 R 4.3261 7.8372 117.9460 55.6833 30.3217 176.4173 21 T 4.5341 8.3253 117.5037 64.4191 72.3687 175.9979 22 G 3.8349 8.2163 107.4275 45.1712 0.0000 175.0878 23 R 3.3399 6.8994 120.1911 58.4417 30.0404 177.4910 24 L 3.5321 7.6582 112.1073 54.5187 37.9266 174.4221 25 R 4.5336 8.1527 126.5409 54.0302 31.2255 177.5066 26 L 4.5033 8.1207 131.6256 53.7683 39.9852 177.4479 27 S 3.9689 8.1803 117.0965 59.7770 64.2625 175.5733 28 V 4.6509 7.6587 128.7685 63.8202 34.3047 174.1221 29 F 4.3108 8.3583 115.8388 57.7557 42.7147 173.8706 30 R 4.7916 8.1366 126.7561 54.9642 31.3036 174.5656 31 S 4.9535 9.0957 123.2705 58.2370 60.5260 173.8868 32 L 4.6533 8.4171 115.5559 53.6641 44.4231 174.1051 33 K 5.3356 7.4776 130.7414 57.0154 35.0729 174.4690 34 H 4.6050 7.6822 114.9837 55.7765 30.5597 172.0674 35 I 4.2733 8.0799 126.7309 60.6831 38.8396 174.5955 36 Y 4.8532 8.0162 124.7679 57.8560 40.6413 174.3392 37 A 4.5900 8.0427 120.6350 52.5497 21.8283 175.3916 38 Q 4.9360 7.4401 120.4621 56.2601 33.8075 172.2853 39 I 5.5434 7.7259 122.1091 58.6450 41.1274 174.8084 40 I 4.8648 8.0717 125.6203 59.5802 41.1890 174.2336 41 D 4.4736 8.6222 126.4455 53.0211 41.3205 176.2737 42 D 4.5589 8.3472 126.8991 55.3146 40.9611 174.3999 43 E 3.7699 8.3562 117.7907 57.3405 28.8102 175.7436 44 K 4.2690 8.0291 123.9348 54.5642 31.7178 177.5884 45 G 4.2973 7.6810 106.6145 45.6065 0.0000 171.3371 46 V 4.4773 7.9818 123.1447 61.8416 35.6540 173.2542 47 T 4.3795 8.2952 121.4189 62.2677 68.3852 174.3834 48 L 4.2883 8.5776 127.6782 55.6958 41.9893 176.8555 49 V 4.4851 7.5122 118.2695 61.5596 33.9104 174.4285 50 S 4.9829 8.1837 120.5375 56.7176 66.0084 173.0961 51 A 4.3689 7.5362 120.9419 51.9183 22.5696 175.5974 52 S 4.8476 8.4085 119.1289 56.8484 66.2226 174.4407 53 S 4.4640 8.2569 118.1086 59.4320 62.4986 177.1510 54 L 3.8066 8.5767 114.7903 58.0368 42.1270 177.5053 55 A 4.4182 7.4099 121.8007 49.8140 15.5831 175.4821 56 L 4.3380 8.7960 127.6396 53.8211 44.3597 168.8364 57 K 3.8352 8.4761 128.5813 55.4092 33.3513 174.7392 58 L 4.4858 8.0474 125.8948 54.4140 45.4384 176.0718 59 K 4.3393 8.4188 118.0193 55.3429 31.0905 180.4195 60 G 4.3047 8.0442 103.4840 45.3030 0.0000 171.9862 61 N 4.4152 7.9913 124.7540 54.7866 41.5603 179.9768 62 K 3.6560 8.6796 113.8433 57.3440 34.6789 176.3290 63 T 3.8560 8.7223 108.5864 64.3494 69.7311 176.4499 64 E 3.7342 8.3402 122.0846 58.8823 29.7039 177.7307 65 V 3.6302 8.5045 118.8049 65.8976 31.5180 176.0105 66 A 3.9543 6.9699 120.1086 53.3165 18.5925 176.0516 67 R 4.6518 7.9375 119.1900 57.9444 29.5703 179.4492 68 Q 4.2374 7.8676 115.5075 59.0255 28.5076 179.0194 69 V 3.7109 9.0213 120.9081 65.1236 31.4585 178.6662 70 G 3.4006 8.0608 105.9021 46.9454 0.0000 175.4316 71 R 3.9954 8.8622 122.1937 59.9947 30.0886 177.4622 72 A 4.0422 8.4320 120.4281 55.1838 18.0513 180.6800 73 L 3.4776 8.2564 112.6821 56.1006 42.1147 179.6469 74 A 3.4543 8.5389 113.4070 55.2928 18.1552 179.5514 75 E 3.7964 6.6793 117.2385 58.2902 30.1547 179.2140 76 K 3.8681 7.8462 117.0518 59.8225 32.1878 178.9212 77 A 4.1068 8.9948 121.3705 55.5362 17.9580 179.6469 78 L 3.7798 8.5640 117.5459 57.9891 41.4756 179.0157 79 A 4.4329 7.5068 117.2678 52.7784 18.3153 177.4066 80 L 4.6715 8.5842 117.7848 54.1804 42.8740 176.6098 81 G 3.8488 7.7716 104.2272 46.9304 0.0000 174.5201 82 I 4.5231 7.6047 118.6555 58.9965 40.7360 176.6826 83 K 4.3151 8.5090 129.1098 57.3320 33.1153 176.4514 84 Q 5.1060 9.2704 116.2550 55.7706 29.0057 176.6604 85 V 4.7384 7.4255 118.6347 60.5820 33.9504 178.0133 86 A 4.6280 8.7330 127.8247 51.8958 21.7979 176.3459 87 F 4.8194 8.6714 123.7318 60.0318 42.6468 173.5009 88 D 4.1877 6.0500 116.6594 54.6772 43.3495 173.1293 89 R 3.6696 8.3124 126.8044 55.7525 29.7749 177.6436 90 G 2.0736 7.6023 107.4699 45.0361 0.0000 172.8009 91 P 4.3355 0.0000 0.0000 64.1312 32.3727 178.1559 92 Y 4.8084 6.6526 113.8127 55.8596 36.6170 177.5897 93 K 5.4218 9.6853 131.3255 57.3520 34.3823 173.4207 94 Y 3.3940 6.8918 114.8161 58.3778 36.7935 169.9596 95 H 3.8288 8.2692 127.1905 57.8866 33.4098 178.2860 96 G 3.8839 8.0619 109.7001 48.6254 0.0000 176.1539 97 R 3.8757 8.2069 116.7234 57.9923 29.9055 175.9812 98 V 3.3709 8.4301 119.7374 62.7281 30.5062 176.0733 99 K 4.0885 8.7971 126.9572 57.6168 33.0086 178.0084 100 A 3.8707 6.9784 121.8035 53.4843 15.8014 176.8340 101 L 4.6488 7.5976 126.6098 53.5093 45.3319 175.1966 102 A 4.1186 9.2010 132.3511 52.3271 18.3286 180.0897 103 E 3.5615 10.3126 119.1127 56.7687 29.3303 176.9038 104 G 3.7179 8.9930 121.0976 46.1044 0.0000 173.9902 105 A 4.2639 8.4050 135.0000 51.7784 18.5113 179.1555 106 R 4.0105 10.4085 120.8637 57.3843 30.7253 175.3687 107 E 3.6326 8.7378 121.0193 56.5292 29.8406 172.8292 108 G 3.6675 8.4013 106.3845 46.5782 0.0000 174.1498 *109 G 3.7078 8.2007 113.4582 45.4285 0.0000 173.5322 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 11 K 8.30 4.48 0.00 2.00 2.02 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 12 F 8.78 4.73 0.00 3.23 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 13 R 8.22 3.57 0.00 1.71 1.96 0.00 3.39 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 14 V 7.35 3.33 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 0.60 0.00 0.00 0.96 0.00 0.00 15 R 7.43 3.47 0.00 1.84 2.01 0.00 3.31 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 16 N 7.95 4.45 0.00 2.46 2.83 0.00 0.00 7.22 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 17 R 7.46 4.27 0.00 1.83 1.66 0.00 3.05 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 18 I 8.70 3.54 1.83 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 1.26 0.25 0.89 0.00 0.00 19 K 7.63 4.20 0.00 1.71 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 20 R 7.84 4.33 0.00 1.82 1.86 0.00 3.32 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 21 T 8.33 4.53 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 22 G 8.22 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 23 R 6.90 3.34 0.00 1.98 1.95 0.00 3.27 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 24 L 7.66 3.53 0.00 1.77 1.98 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.15 4.53 0.00 1.76 2.17 0.00 3.07 0.00 0.00 3.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 26 L 8.12 4.50 0.00 1.83 1.38 1.26 1.16 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 27 S 8.18 3.97 0.00 3.90 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 28 V 7.66 4.65 2.16 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 0.92 0.00 0.00 1.02 0.00 0.00 29 F 8.36 4.31 0.00 3.09 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 30 R 8.14 4.79 0.00 1.84 1.71 0.00 3.42 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 31 S 9.10 4.95 0.00 4.25 3.36 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 32 L 8.42 4.65 0.00 1.70 1.66 0.95 0.81 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 33 K 7.48 5.34 0.00 1.87 1.86 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.28 7.81 34 H 7.68 4.60 0.00 3.11 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.08 4.27 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.96 0.00 0.00 36 Y 8.02 4.85 0.00 2.73 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 37 A 8.04 4.59 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 38 Q 7.44 4.94 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 39 I 7.73 5.54 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.56 0.92 0.00 0.00 40 I 8.07 4.86 1.85 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 1.33 1.22 0.97 0.00 0.00 41 D 8.62 4.47 0.00 2.84 2.58 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 0.00 0.00 0.00 0.00 42 D 8.35 4.56 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.36 3.77 0.00 2.11 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 2.21 2.30 0.00 44 K 8.03 4.27 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 45 G 7.68 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 0.00 0.00 0.00 0.00 46 V 7.98 4.48 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 0.94 0.00 0.00 1.00 0.00 0.00 47 T 8.30 4.38 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 1.23 0.00 0.00 48 L 8.58 4.29 0.00 1.51 1.64 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.51 4.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 50 S 8.18 4.98 0.00 3.86 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 51 A 7.54 4.37 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 52 S 8.41 4.85 0.00 3.55 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 53 S 8.26 4.46 0.00 3.91 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.81 0.00 1.61 1.62 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.41 4.42 1.05 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 0.00 0.00 56 L 8.80 4.34 0.00 1.65 1.77 0.89 0.68 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 57 K 8.48 3.84 0.00 1.87 1.82 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.35 7.81 58 L 8.05 4.49 0.00 1.56 1.55 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.42 4.34 0.00 1.78 1.34 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 60 G 8.04 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 0.00 0.00 0.00 0.00 61 N 7.99 4.42 0.00 2.70 2.70 0.00 0.00 7.05 6.85 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 62 K 8.68 3.66 0.00 2.05 1.93 0.00 1.65 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.38 7.81 63 T 8.72 3.86 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 1.22 0.00 0.00 64 E 8.34 3.73 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 65 V 8.50 3.63 2.27 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 0.89 0.00 0.00 0.95 0.00 0.00 66 A 6.97 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.94 4.65 0.00 2.10 2.06 0.00 3.14 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 68 Q 7.87 4.24 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 69 V 9.02 3.71 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 0.91 0.00 0.00 0.97 0.00 0.00 70 G 8.06 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.86 4.00 0.00 1.96 1.92 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 72 A 8.43 4.04 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 73 L 8.26 3.48 0.00 1.78 1.64 0.99 0.90 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 74 A 8.54 3.45 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 75 E 6.68 3.80 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.71 0.00 76 K 7.85 3.87 0.00 1.88 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.83 1.64 7.81 77 A 8.99 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.56 3.78 0.00 1.80 1.78 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.51 4.43 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 80 L 8.58 4.67 0.00 1.47 1.63 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.77 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 82 I 7.60 4.52 1.89 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 0.93 0.93 0.00 0.00 83 K 8.51 4.32 0.00 1.75 1.16 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.43 7.81 84 Q 9.27 5.11 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 85 V 7.43 4.74 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 0.74 0.00 0.00 0.99 0.00 0.00 86 A 8.73 4.63 1.33 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 0.00 0.00 87 F 8.67 4.82 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 6.05 4.19 0.00 2.49 2.38 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 89 R 8.31 3.67 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 90 G 7.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.34 0.00 2.17 2.04 0.00 3.54 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 92 Y 6.65 4.81 0.00 3.09 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 93 K 9.69 5.42 0.00 1.96 1.92 0.00 1.97 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.15 7.81 94 Y 6.89 3.39 0.00 2.46 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 95 H 8.27 3.83 0.00 3.14 2.97 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.06 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 97 R 8.21 3.88 0.00 2.10 2.27 0.00 3.36 0.00 0.00 3.54 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 98 V 8.43 3.37 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.56 0.00 0.00 99 K 8.80 4.09 0.00 1.92 1.90 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.52 7.81 100 A 6.98 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.60 4.65 0.00 1.79 1.59 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.20 4.12 1.16 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 0.00 0.00 103 E 10.31 3.56 0.00 2.10 1.78 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 2.24 2.24 0.00 104 G 8.99 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 0.00 0.00 0.00 105 A 8.40 4.26 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 0.00 106 R 10.41 4.01 0.00 1.86 2.14 0.00 3.64 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 107 E 8.74 3.63 0.00 2.11 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 2.18 2.32 0.00 108 G 8.40 3.67 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 0.00 0.00 0.00 *109 G 8.20 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.