NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.1539 8.4104 116.7705 64.6717 68.9739 172.3418 4 A 4.5505 8.1794 135.0000 53.1384 20.3750 176.3054 5 Y 4.6521 9.4844 112.0087 58.6226 39.0258 174.4949 6 D 4.7502 7.8896 122.8364 55.7166 42.6289 178.9566 7 V 3.6004 7.8148 118.8793 66.1532 32.2119 176.4215 8 I 4.2064 7.6684 126.0153 61.3424 36.4149 174.9806 9 L 4.5259 8.6624 127.4572 56.6614 43.1043 176.4398 10 A 4.8732 7.7438 117.8954 50.7559 22.4049 172.4893 11 P 5.2447 0.0000 0.0000 63.2976 34.7833 176.9869 12 V 2.0277 8.8737 107.0384 60.0506 32.4321 177.2616 13 L 3.5503 10.1019 122.6633 54.7086 38.3175 174.6288 14 S 4.2852 6.4218 111.2547 55.8652 66.8297 175.7797 15 E 3.8179 8.3990 125.4418 59.5475 29.1101 179.3245 16 K 3.7375 7.7061 117.1700 59.6121 32.6297 178.1653 17 A 3.8052 7.1976 120.5679 54.9432 17.7359 179.2728 18 Y 2.3900 6.9944 114.9419 60.7439 37.5270 178.5128 19 A 3.9344 7.5663 121.4541 54.6346 18.4209 179.4024 20 G 3.2201 7.4739 103.7116 46.8135 0.0000 176.0807 21 F 4.3507 8.7227 120.5128 60.4947 39.0382 176.2754 22 A 4.0487 7.2865 120.3189 54.5985 18.2217 176.8013 23 E 4.6057 7.8143 113.2530 54.5230 32.8263 175.9259 24 G 3.9380 8.1364 105.8889 46.1875 0.0000 174.4532 25 K 5.1531 7.9401 116.8574 54.7889 35.7049 177.3268 26 Y 4.8469 8.3739 123.0661 56.1804 40.8673 174.9708 27 T 5.3204 7.9177 112.5911 58.8918 71.7670 172.7771 28 F 5.2376 8.3882 122.4089 55.0466 44.0676 174.1557 29 W 4.6651 8.7879 121.5277 57.2108 29.2172 176.0051 30 V 4.8878 8.9368 119.0965 59.4795 34.2843 175.2097 31 H 4.4717 8.9465 123.7468 55.9067 30.1914 174.1747 32 P 4.1845 0.0000 0.0000 65.8975 30.8106 177.0548 33 K 4.3602 7.2326 114.6568 55.5314 32.1512 175.4814 34 A 4.5814 7.4442 122.5324 50.8475 20.0321 178.9795 35 T 4.0405 8.4140 119.6346 63.5102 70.4778 175.4527 36 K 3.9807 8.5669 123.3476 60.3435 32.3610 179.2365 37 T 3.8231 8.0274 115.0485 66.9458 68.1153 175.4235 38 E 4.0122 8.1552 119.9463 60.4148 29.9440 178.4399 39 I 3.5118 8.8044 118.6705 65.6637 37.2917 178.8192 40 K 4.0294 9.2177 115.5989 57.5130 33.1154 177.9837 41 N 4.0732 8.1082 114.7995 56.6836 38.8056 176.5127 42 A 3.8131 7.7126 120.3423 55.6337 18.5502 179.2487 43 V 3.1183 7.5931 114.6482 66.0826 31.3716 177.6326 44 E 3.7550 8.4061 113.6206 60.2514 28.9306 178.5571 45 T 3.9645 5.9522 110.6645 63.1521 70.3202 174.3874 46 A 4.4298 9.5863 120.2475 52.2948 21.2493 177.3681 47 F 4.4379 7.9615 110.9395 55.7679 42.2681 174.6801 48 K 3.8076 8.1714 119.0616 57.4834 29.1488 172.4632 49 V 4.5550 7.1147 109.7272 59.6792 36.4679 174.7534 50 K 4.6582 8.4285 119.1109 55.0217 34.9836 175.4689 51 V 4.7370 8.5315 126.1789 61.1646 34.0458 175.0401 52 V 4.3722 7.9206 124.4939 62.0712 32.8803 175.0625 53 K 4.2082 7.4597 116.3613 56.3902 35.3912 173.3625 54 V 4.8708 8.6928 127.4624 61.1973 34.1185 174.5059 55 N 4.9673 9.0575 124.4251 51.8644 41.6960 174.5494 56 T 4.8704 8.7000 115.3364 60.5565 71.5135 173.0936 57 L 5.1588 7.7078 127.7808 56.1354 41.0403 171.7263 58 H 4.8610 8.4014 119.9905 54.8883 30.1811 174.8679 59 V 4.2701 9.0043 124.2460 60.8426 32.8433 174.9427 60 R 4.3379 8.7715 128.5898 56.8102 30.8948 175.1385 61 G 4.5749 8.2483 108.0333 43.9051 0.0000 173.8154 62 K 4.4648 8.6239 125.7157 55.3984 32.9343 176.4659 63 K 4.3152 8.6559 125.8353 57.0789 32.7817 176.6100 64 K 4.8310 7.6825 125.9336 56.7878 34.2672 174.5276 65 R 4.3307 7.9912 116.7212 56.7705 32.9280 174.4612 66 L 4.3882 7.9733 126.7228 53.8502 42.1506 175.4025 67 G 4.1830 8.6883 117.6839 45.6417 0.0000 172.4455 68 R 4.4193 8.3212 117.2656 54.7663 31.6571 175.8475 69 Y 4.2410 8.1375 117.4882 56.6866 36.8248 173.5023 70 L 4.4994 8.2832 126.9059 53.8902 43.1930 175.9661 71 G 4.1981 8.1931 115.5579 44.2981 0.0000 170.6031 72 K 4.9416 8.3519 116.7554 54.7266 36.3528 176.1896 73 R 4.6577 7.9182 121.5278 53.8522 32.2367 174.3212 74 P 4.5675 0.0000 0.0000 63.7054 31.6737 174.9519 75 D 4.8992 8.5645 121.6233 52.5979 41.1004 175.4985 76 R 4.8186 8.9240 120.3543 54.2586 34.9246 173.7400 77 K 5.0929 8.3685 121.0856 54.6450 35.5525 174.8520 78 K 5.2483 9.0276 123.6116 53.9563 36.2665 174.8000 79 A 4.8023 8.4929 124.3687 50.1384 22.3358 174.1770 80 I 4.5553 8.5531 123.7263 59.8017 39.6879 174.7526 81 V 4.7722 9.1121 123.9711 59.5451 34.0552 174.7358 82 Q 5.1915 8.7115 128.5754 55.4631 29.7754 175.7414 83 V 4.6410 8.4214 119.5555 59.7992 33.8204 175.7286 84 A 4.1717 9.2405 124.9096 52.2147 19.4747 175.3041 85 P 4.0179 0.0000 0.0000 62.8307 31.4375 175.9682 86 G 3.8802 8.8127 110.9189 45.9894 0.0000 172.6315 87 Q 4.5597 7.7087 119.6297 54.5349 30.4028 174.7231 88 K 4.9177 8.1967 119.9022 55.8872 35.5887 176.2706 89 I 4.3208 10.0734 121.5784 58.7672 36.5868 176.0719 90 E 3.8750 8.6963 124.6369 59.0038 30.0506 178.7212 91 A 3.8670 7.9513 118.8464 54.0310 18.1087 178.1675 92 L 4.1964 8.9548 116.4523 57.0196 42.7114 180.3392 93 E 4.1125 7.5875 119.1164 56.0068 28.9876 177.9346 94 G 3.8087 10.9645 108.8596 47.3270 0.0000 174.0116 *95 L 4.1219 7.7479 124.6670 53.6194 41.6291 178.8275 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 3 T 8.41 5.15 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 4 A 8.18 4.55 1.60 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 0.00 0.00 5 Y 9.48 4.65 0.00 2.86 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 6 D 7.89 4.75 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 7 V 7.81 3.60 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 1.00 0.00 0.00 0.97 0.00 0.00 8 I 7.67 4.21 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.49 0.24 0.00 0.00 9 L 8.66 4.53 0.00 1.87 1.81 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.74 4.87 1.47 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 0.00 0.00 11 P 0.00 5.24 0.00 2.19 2.39 0.00 4.02 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 2.05 2.16 0.00 12 V 8.87 2.03 1.81 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 0.48 0.00 0.00 1.03 0.00 0.00 13 L 10.10 3.55 0.00 1.96 1.92 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.42 4.29 0.00 3.79 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 15 E 8.40 3.82 0.00 2.07 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 2.36 2.46 0.00 16 K 7.71 3.74 0.00 1.66 1.64 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.38 7.81 17 A 7.20 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.99 2.39 0.00 2.94 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 19 A 7.57 3.93 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 20 G 7.47 3.22 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 0.00 0.00 0.00 21 F 8.72 4.35 0.00 2.85 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 22 A 7.29 4.05 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 23 E 7.81 4.61 0.00 1.88 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 2.31 0.00 24 G 8.14 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 25 K 7.94 5.15 0.00 1.67 1.61 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.33 7.81 26 Y 8.37 4.85 0.00 2.75 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 0.00 0.00 0.00 27 T 7.92 5.32 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 1.00 0.00 0.00 28 F 8.39 5.24 0.00 2.96 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 29 W 8.79 4.67 0.00 3.40 3.08 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 30 V 8.94 4.89 2.15 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 0.92 0.00 0.00 1.09 0.00 0.00 31 H 8.95 4.47 0.00 3.32 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.18 0.00 2.18 2.21 0.00 3.91 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 33 K 7.23 4.36 0.00 1.84 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 34 A 7.44 4.58 1.41 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 35 T 8.41 4.04 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 1.26 0.00 0.00 36 K 8.57 3.98 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.54 7.81 37 T 8.03 3.82 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 38 E 8.16 4.01 0.00 1.97 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 0.00 2.31 2.44 0.00 39 I 8.80 3.51 2.04 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 1.84 0.85 0.90 0.00 0.00 40 K 9.22 4.03 0.00 1.92 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.42 1.53 7.81 41 N 8.11 4.07 0.00 3.02 2.86 0.00 0.00 7.05 7.80 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 42 A 7.71 3.81 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 43 V 7.59 3.12 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 0.77 0.00 0.00 0.65 0.00 0.00 44 E 8.41 3.76 0.00 2.31 1.79 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 2.56 2.33 0.00 45 T 5.95 3.96 4.26 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 1.26 0.00 0.00 46 A 9.59 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.96 4.44 0.00 2.87 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 48 K 8.17 3.81 0.00 1.80 1.80 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.50 7.81 49 V 7.11 4.56 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 0.81 0.00 0.00 0.93 0.00 0.00 50 K 8.43 4.66 0.00 1.84 1.61 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.35 7.81 51 V 8.53 4.74 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 0.96 0.00 0.00 0.93 0.00 0.00 52 V 7.92 4.37 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 0.81 0.00 0.00 0.94 0.00 0.00 53 K 7.46 4.21 0.00 1.78 1.58 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.26 7.81 54 V 8.69 4.87 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 0.88 0.00 0.00 0.94 0.00 0.00 55 N 9.06 4.97 0.00 2.75 2.66 0.00 0.00 6.56 7.17 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 56 T 8.70 4.87 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 1.21 0.00 0.00 57 L 7.71 5.16 0.00 1.93 1.91 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.40 4.86 0.00 3.10 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.00 4.27 2.42 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 1.17 0.00 0.00 1.13 0.00 0.00 60 R 8.77 4.34 0.00 1.88 1.88 0.00 3.29 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 61 G 8.25 4.57 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 0.00 0.00 0.00 62 K 8.62 4.46 0.00 1.72 1.79 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.43 7.81 63 K 8.66 4.32 0.00 1.84 1.88 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 K 7.68 4.83 0.00 1.94 1.72 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.33 7.81 65 R 7.99 4.33 0.00 1.72 1.76 0.00 3.21 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 66 L 7.97 4.39 0.00 1.76 1.58 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.69 4.18 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 0.00 68 R 8.32 4.42 0.00 1.67 1.86 0.00 2.29 0.00 0.00 2.68 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.00 69 Y 8.14 4.24 0.00 3.10 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 70 L 8.28 4.50 0.00 1.60 1.59 0.92 1.01 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 71 G 8.19 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 72 K 8.35 4.94 0.00 1.57 1.66 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.50 7.81 73 R 7.92 4.66 0.00 1.91 1.77 0.00 3.12 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 74 P 0.00 4.57 0.00 2.00 2.04 0.00 3.69 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 1.89 1.93 0.00 75 D 8.56 4.90 0.00 2.72 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 76 R 8.92 4.82 0.00 1.71 1.79 0.00 2.99 0.00 0.00 2.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.41 0.00 77 K 8.37 5.09 0.00 1.97 1.83 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.06 7.81 78 K 9.03 5.25 0.00 1.23 1.75 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.18 0.91 7.81 79 A 8.49 4.80 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 80 I 8.55 4.56 1.76 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 1.18 1.79 0.89 0.00 0.00 81 V 9.11 4.77 2.14 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 0.75 0.00 0.00 1.17 0.00 0.00 82 Q 8.71 5.19 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 83 V 8.42 4.64 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 0.85 0.00 0.00 1.18 0.00 0.00 84 A 9.24 4.17 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 85 P 0.00 4.02 0.00 2.21 2.06 0.00 3.90 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 2.00 2.03 0.00 86 G 8.81 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 87 Q 7.71 4.56 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 88 K 8.20 4.92 0.00 1.97 1.79 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.63 7.81 89 I 10.07 4.32 0.71 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 1.06 0.00 0.00 90 E 8.70 3.87 0.00 1.91 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 0.00 2.32 2.29 0.00 91 A 7.95 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.95 4.20 0.00 1.75 1.76 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.59 4.11 0.00 2.03 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 0.00 2.23 2.42 0.00 94 G 10.96 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 *95 L 7.75 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.