NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5771 8.1927 116.8093 57.8588 64.3600 172.6192 3 Q 3.6854 8.9363 125.0775 57.7678 29.2085 176.6898 4 F 4.4066 10.1294 124.6716 57.5998 38.8155 174.3979 5 T 4.1927 7.9393 118.5962 63.4673 69.6503 172.9667 6 L 4.9811 8.7408 127.9894 53.8083 43.9289 174.6750 7 Y 5.1721 8.9797 124.1797 55.2814 41.0766 174.7483 8 K 4.5715 8.4329 124.1991 55.7369 33.1387 175.8404 9 N 4.0839 8.3884 127.7811 53.2274 39.0453 174.7481 10 K 4.3581 8.4803 124.1354 55.8718 33.2577 175.6997 11 D 4.4489 8.5737 121.4400 54.0077 41.4622 177.2471 12 K 4.0376 8.7711 126.8573 59.4599 32.3665 178.5676 13 S 4.3074 8.2219 112.6898 60.1478 63.4680 175.3138 14 S 4.6661 7.9303 114.1498 58.1635 63.6156 175.8686 15 A 4.0968 7.9529 125.5634 55.0960 17.8606 179.5631 16 K 3.9367 7.9317 115.7869 59.6613 33.2137 178.6416 17 T 4.2087 7.6364 116.1836 63.9076 69.9837 173.2779 18 Y 5.6897 8.1336 118.5218 54.2763 38.1919 173.9729 19 P 4.2719 0.0000 0.0000 64.3439 33.0138 176.4181 20 Y 5.0946 7.5054 117.4009 56.1591 42.7781 174.1602 21 F 5.7524 9.1665 120.2237 55.8270 42.9597 174.3721 22 V 4.8914 8.8225 123.0133 59.9740 33.7306 174.5161 23 D 4.7112 9.2101 125.6052 54.2904 41.9103 176.4260 24 V 4.2857 8.4512 118.3687 61.0411 32.6726 175.6911 25 Q 4.1944 8.3855 122.6777 54.6806 30.0394 175.6005 26 S 4.1327 8.3386 118.7933 58.3792 63.1020 174.8696 27 D 4.7424 8.4840 125.5532 56.1454 40.8822 178.4955 28 L 4.0445 7.7462 118.8474 57.0568 41.8207 177.8016 29 L 4.6525 7.8592 117.8391 54.5720 42.0530 178.1634 30 D 4.4265 7.8945 121.4415 56.6178 40.8563 178.4435 31 N 4.4452 8.1036 115.8668 55.2685 37.4170 175.5605 32 L 4.2005 7.7114 118.3813 54.7650 42.2681 176.5686 33 N 4.7011 8.5988 117.1886 53.7701 38.9520 174.6286 34 T 5.1678 7.4780 107.7760 59.8380 72.2902 173.4169 35 R 4.8045 8.8424 120.8844 54.1079 34.5004 174.5428 36 L 4.4581 8.9012 125.9801 55.2229 43.2162 176.1533 37 V 5.0719 8.8749 118.9478 59.6026 36.3709 174.4312 38 I 4.8992 8.5224 122.6669 58.8575 40.5567 173.6307 39 P 5.2049 0.0000 0.0000 62.7565 33.0772 174.8527 40 L 5.3162 8.9910 121.7531 53.6110 44.2256 175.3868 41 T 5.2715 8.8425 116.8609 58.4237 70.9147 171.6344 42 P 4.5617 0.0000 0.0000 62.6868 32.1259 177.4399 43 I 3.6901 8.2500 122.3092 64.0794 38.0808 178.0137 44 E 4.0620 7.9997 118.4605 58.6941 29.4924 177.9377 45 L 4.0091 7.9591 120.9300 57.2732 41.9133 177.5519 46 L 4.3396 7.6244 121.3515 53.9848 40.0336 180.9379 *47 D 4.6556 8.2175 128.4617 52.6502 39.4137 174.6037 *53 H 4.4817 7.3916 120.3982 56.5281 32.0132 173.4111 54 L 4.3010 7.7708 124.7920 57.3266 42.7945 176.6797 55 C 5.2186 7.5237 114.8068 55.4112 29.4442 171.8411 56 P 4.3518 0.0000 0.0000 63.1554 32.3810 175.1332 57 T 4.8304 8.3182 119.5654 62.5292 70.0904 174.1598 58 I 4.1345 8.7566 126.5348 59.5995 40.4982 174.1248 59 H 5.2004 8.4044 123.9851 54.0672 30.7082 173.2889 60 I 4.7564 8.6218 116.0999 58.9533 40.8750 175.5904 61 D 4.3858 8.8605 120.2843 57.7391 40.5805 178.5267 62 E 4.1132 8.0514 116.8352 57.7068 30.0369 176.9943 63 G 3.7548 7.1302 105.5653 44.0889 0.0000 170.5703 64 D 5.2057 7.7191 119.6629 52.7484 42.8265 176.1479 65 F 5.3508 9.1046 121.3142 55.7858 44.0283 173.5626 66 I 4.8690 8.9240 121.5892 59.8723 39.7321 174.6900 67 M 4.5702 9.0669 127.7254 54.6935 33.1252 176.0346 68 L 4.7086 8.5758 129.8191 53.1359 40.6796 177.3588 69 T 3.8849 8.0679 119.4288 66.6046 68.9839 176.5207 70 Q 4.1455 8.0774 117.1672 58.1897 28.8486 176.5038 71 Q 4.4226 7.9304 117.5131 55.7385 28.8610 175.1693 72 M 4.2591 7.4920 118.4573 56.9046 32.7464 175.3820 73 T 4.5065 8.4723 117.5756 61.0328 71.6727 171.9695 74 S 4.8519 8.4602 120.9987 57.8896 63.3534 173.4974 75 V 4.5836 8.4991 119.2222 58.5683 36.2511 173.3991 76 P 4.7458 0.0000 0.0000 62.1906 32.1850 178.3465 77 V 3.5065 8.7899 125.1595 65.2155 31.3456 179.2632 78 K 3.9581 8.0523 121.0413 56.9737 31.4931 180.7593 79 I 4.0868 7.6512 108.8085 61.6790 38.0857 175.7447 80 L 4.2176 7.4511 122.5933 53.9298 41.6851 176.1546 81 S 4.6449 8.0154 117.1316 57.6075 66.5221 170.9937 82 E 3.9099 8.8077 122.6658 56.4437 26.6285 171.6709 83 P 4.9528 0.0000 0.0000 60.4403 30.2616 178.2405 84 V 3.6291 7.6221 118.5507 64.9701 32.3957 175.1982 85 N 4.6620 7.3887 116.8213 53.3225 42.0272 172.2069 86 E 5.0578 8.3028 115.0167 55.4288 32.1769 174.6199 87 L 4.8329 8.8754 120.9209 54.5965 42.5507 179.0934 88 S 3.6722 8.5786 117.7523 61.2798 62.9334 176.4050 89 T 3.6930 7.2964 109.6438 63.4079 68.8538 174.7119 90 F 4.9063 7.3535 121.3222 57.3633 39.3937 177.7241 91 R 3.2701 7.6039 121.7744 59.3294 28.7633 178.3508 92 N 4.2865 8.0059 116.6463 56.1229 38.6060 176.8434 93 E 3.9422 8.1121 120.0930 59.1100 29.7957 178.7586 94 I 3.7350 7.8063 119.9136 64.5438 37.1856 178.4422 95 I 3.7907 8.2661 120.8286 64.4205 36.8894 178.3511 96 A 4.0332 8.3739 121.5501 55.0649 18.2120 179.5980 97 A 4.1528 8.1276 119.3328 55.4388 18.3543 179.9588 98 I 3.7055 7.8733 118.4189 64.5276 37.1310 177.9873 99 D 4.3816 8.5313 119.3172 57.5752 41.0048 178.2952 100 F 4.2650 8.4987 121.1301 61.1277 39.1405 176.9207 101 L 3.8464 7.7897 119.3449 57.4937 41.8990 178.2347 102 I 4.1325 7.3750 118.7617 62.4457 37.9762 176.6040 103 T 4.4066 8.3893 106.6834 60.1266 70.4845 176.4828 104 G 3.2320 7.4024 111.5009 46.9320 0.0000 173.8985 105 I 4.1470 8.4498 116.4682 61.0433 37.9490 175.8757 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 2 S 8.19 4.58 0.00 3.93 3.87 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 3 Q 8.94 3.69 0.00 1.89 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.60 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 4 F 10.13 4.41 0.00 3.30 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 5 T 7.94 4.19 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 0.54 0.00 0.00 6 L 8.74 4.98 0.00 1.62 1.46 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.98 5.17 0.00 3.07 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 8 K 8.43 4.57 0.00 1.89 1.75 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.14 7.81 9 N 8.39 4.08 0.00 1.50 2.38 0.00 0.00 7.14 6.22 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 10 K 8.48 4.36 0.00 1.74 1.77 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.33 7.81 11 D 8.57 4.45 0.00 2.84 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 12 K 8.77 4.04 0.00 1.79 1.86 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 13 S 8.22 4.31 0.00 4.00 4.01 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 14 S 7.93 4.67 0.00 4.31 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 0.00 15 A 7.95 4.10 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 16 K 7.93 3.94 0.00 1.88 1.91 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.46 7.81 17 T 7.64 4.21 3.58 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 0.44 0.00 0.00 18 Y 8.13 5.69 0.00 3.15 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 19 P 0.00 4.27 0.00 1.30 2.11 0.00 4.23 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 20 Y 7.51 5.09 0.00 2.73 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 21 F 9.17 5.75 0.00 3.08 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 22 V 8.82 4.89 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 0.82 0.00 0.00 1.17 0.00 0.00 23 D 9.21 4.71 0.00 3.01 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 24 V 8.45 4.29 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 0.88 0.00 0.00 0.99 0.00 0.00 25 Q 8.39 4.19 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 26 S 8.34 4.13 0.00 3.85 3.68 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 27 D 8.48 4.74 0.00 2.72 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 28 L 7.75 4.04 0.00 1.62 1.73 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.86 4.65 0.00 1.80 1.62 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.89 4.43 0.00 2.75 2.70 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 31 N 8.10 4.45 0.00 3.07 2.95 0.00 0.00 6.09 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 32 L 7.71 4.20 0.00 1.69 1.61 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.60 4.70 0.00 2.76 2.80 0.00 0.00 6.39 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 34 T 7.48 5.17 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 1.18 0.00 0.00 35 R 8.84 4.80 0.00 1.59 1.76 0.00 3.40 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 36 L 8.90 4.46 0.00 1.74 1.50 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.87 5.07 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 0.73 0.00 0.00 0.53 0.00 0.00 38 I 8.52 4.90 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.96 0.00 0.00 39 P 0.00 5.20 0.00 1.77 2.04 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 40 L 8.99 5.32 0.00 1.55 1.57 0.52 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.84 5.27 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 1.42 0.00 0.00 42 P 0.00 4.56 0.00 2.22 1.90 0.00 3.75 0.00 0.00 3.95 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 43 I 8.25 3.69 1.88 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 1.28 1.34 0.86 0.00 0.00 44 E 8.00 4.06 0.00 1.94 1.98 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 2.28 2.35 0.00 45 L 7.96 4.01 0.00 1.84 1.72 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.62 4.34 0.00 1.61 1.51 0.92 1.05 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 *47 D 8.22 4.66 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 H 7.39 4.48 0.00 2.96 2.73 0.00 7.25 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.77 4.30 0.00 2.06 1.83 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.52 5.22 0.00 2.88 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 56 P 0.00 4.35 0.00 2.06 1.95 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 57 T 8.32 4.83 4.16 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 1.04 0.00 0.00 58 I 8.76 4.13 1.92 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.12 0.83 0.00 0.00 59 H 8.40 5.20 0.00 2.94 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.62 4.76 2.02 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.12 1.02 0.00 0.00 61 D 8.86 4.39 0.00 2.69 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 62 E 8.05 4.11 0.00 1.85 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 1.57 2.29 0.00 63 G 7.13 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 64 D 7.72 5.21 0.00 2.42 2.49 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 65 F 9.10 5.35 0.00 2.92 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 66 I 8.92 4.87 1.97 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 1.13 0.73 0.97 0.00 0.00 67 M 9.07 4.57 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 68 L 8.58 4.71 0.00 1.76 1.64 1.28 0.53 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 69 T 8.07 3.88 4.35 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 0.00 0.00 0.00 1.26 0.00 0.00 70 Q 8.08 4.15 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.34 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 71 Q 7.93 4.42 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 72 M 7.49 4.26 0.00 2.01 2.09 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 2.71 2.46 0.00 73 T 8.47 4.51 4.13 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 0.98 0.00 0.00 74 S 8.46 4.85 0.00 3.87 3.69 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 75 V 8.50 4.58 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 0.43 0.00 0.00 0.87 0.00 0.00 76 P 0.00 4.75 0.00 2.15 1.94 0.00 3.57 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 2.09 2.04 0.00 77 V 8.79 3.51 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 0.66 0.00 0.00 0.86 0.00 0.00 78 K 8.05 3.96 0.00 1.80 1.79 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.01 7.81 79 I 7.65 4.09 1.92 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 1.42 1.32 0.92 0.00 0.00 80 L 7.45 4.22 0.00 1.36 0.36 0.62 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.02 4.64 0.00 3.98 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 82 E 8.81 3.91 0.00 2.26 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 0.00 2.33 2.33 0.00 83 P 0.00 4.95 0.00 2.14 2.10 0.00 4.00 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 84 V 7.62 3.63 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 0.79 0.00 0.00 0.83 0.00 0.00 85 N 7.39 4.66 0.00 2.55 2.52 0.00 0.00 6.57 7.53 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 86 E 8.30 5.06 0.00 2.06 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 0.00 2.16 2.35 0.00 87 L 8.88 4.83 0.00 1.78 1.92 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.58 3.67 0.00 3.95 4.22 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 89 T 7.30 3.69 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 0.88 0.00 0.00 90 F 7.35 4.91 0.00 3.12 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 91 R 7.60 3.27 0.00 1.56 1.27 0.00 2.76 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 92 N 8.01 4.29 0.00 2.82 2.91 0.00 0.00 6.77 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 93 E 8.11 3.94 0.00 2.06 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 0.00 2.37 2.39 0.00 94 I 7.81 3.73 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.57 1.13 0.00 0.00 95 I 8.27 3.79 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.13 0.98 0.00 0.00 96 A 8.37 4.03 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 97 A 8.13 4.15 1.53 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 0.00 0.00 98 I 7.87 3.71 2.06 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 1.45 1.33 0.94 0.00 0.00 99 D 8.53 4.38 0.00 2.82 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 0.00 100 F 8.50 4.26 0.00 3.19 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 0.00 101 L 7.79 3.85 0.00 1.73 1.89 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.37 4.13 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 1.56 0.69 0.89 0.00 0.00 103 T 8.39 4.41 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 0.00 104 G 7.40 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 0.00 0.00 0.00 105 I 8.45 4.15 1.96 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 0.68 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.