NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *11 Y 4.3624 8.1293 119.1531 56.6366 38.7058 173.6591 *13 S 4.3397 8.1045 110.9362 59.7838 65.4279 173.9691 14 L 3.9450 8.1748 121.8747 58.3794 41.6335 178.5272 15 E 3.9965 8.0994 118.0986 59.4043 29.4291 178.8762 16 D 4.3441 8.0502 119.0241 57.4383 40.9384 178.5618 17 D 4.3241 8.3115 119.2135 57.2742 40.8007 178.6994 18 A 3.9762 8.1202 121.2921 55.2198 18.4030 179.3583 19 E 3.8893 8.5130 118.1065 59.0606 29.4144 178.8444 20 L 3.9485 7.7846 119.9616 58.1346 42.2789 178.6664 21 L 4.1187 7.6215 117.6174 57.5505 41.6094 179.0069 22 K 4.1203 7.9870 118.7128 59.6931 32.1852 179.8066 23 T 4.0692 7.7187 112.9790 63.4553 69.1839 174.7124 *25 A 4.1635 7.9029 120.4029 51.9079 19.9168 177.7996 26 H 4.7980 7.6324 117.8536 54.0185 33.3313 173.4353 27 P 4.2694 0.0000 0.0000 64.2351 32.1401 177.8864 *29 R 4.1979 8.0104 119.4450 56.2613 32.0432 177.9206 30 L 4.0190 8.1045 117.8909 57.4878 41.3820 179.6763 31 K 3.9610 8.0703 118.5930 59.4568 32.0209 179.3137 32 I 3.6768 7.6807 119.4942 64.4604 37.0994 178.4506 33 V 3.6195 7.8792 118.9495 65.9793 31.3622 177.4454 34 N 4.3962 8.4499 116.9784 56.8870 38.8225 176.6376 35 E 4.0491 8.4945 120.0672 59.5574 29.4927 179.4399 36 L 4.3333 8.2407 118.9481 57.7126 41.3965 178.9421 37 Y 4.1765 7.9556 119.1873 60.5719 38.8081 177.7220 38 K 3.7670 7.8998 118.4736 58.8002 32.4068 178.1710 39 H 4.6258 8.4550 113.6222 54.7234 29.3806 176.3890 40 K 4.3001 8.5572 125.3304 57.0036 31.6242 176.2053 41 A 5.1508 7.5820 117.9002 50.4881 22.1587 175.7098 42 L 5.0346 8.9760 121.4776 53.3462 46.8583 175.8911 43 N 5.1909 9.7329 121.6547 51.7623 39.6928 176.2726 44 V 3.6469 8.7075 117.6488 66.7234 31.4151 177.8520 45 T 3.9379 7.9452 114.7306 66.8347 68.3739 176.5050 46 Q 4.0465 8.0700 119.4522 58.8769 28.6731 178.7898 47 I 3.7538 7.7405 120.9433 64.4040 37.1925 178.4394 48 I 3.7018 8.2950 121.0085 64.6506 36.7192 178.5807 49 Q 4.0572 8.0350 117.6422 58.5999 28.5589 178.4698 50 I 3.9343 7.4348 120.4136 64.2427 37.3782 177.9596 51 L 4.1478 8.1517 118.2396 54.6967 42.0613 176.9078 52 K 3.8726 8.2171 117.0057 57.8116 29.8504 175.0070 53 L 4.8935 7.5823 115.6597 51.5397 45.6073 175.7550 54 P 4.3875 0.0000 0.0000 62.9158 33.1500 177.6682 55 Q 4.0123 8.6098 120.9036 59.1326 29.1478 178.7092 56 S 4.0480 7.9714 113.9845 61.5916 62.6463 176.1093 57 T 3.7824 7.7715 117.8804 66.5924 68.2464 176.6918 58 V 3.6057 7.7359 120.1080 66.2011 31.4873 178.1884 59 S 4.0818 8.2961 115.1076 61.6140 62.6484 176.5473 60 Q 3.8957 7.9308 121.8248 59.3526 28.5598 177.9750 61 H 4.1804 7.7285 115.9468 58.9564 28.8617 177.4362 62 L 3.8893 7.7665 119.5037 57.7193 41.4064 178.8722 63 C 4.3091 8.0199 117.9744 62.2588 31.5657 176.0900 64 K 4.0793 7.5876 116.3921 56.0598 31.7067 175.8991 *66 R 4.1795 7.5910 116.8610 57.0364 30.7154 175.3370 67 G 4.0978 9.4570 114.6642 45.0653 0.0000 173.7292 68 K 4.4019 7.9667 115.8766 57.5310 34.3183 176.9353 69 V 4.1897 7.8686 115.2716 63.1681 33.2575 175.1337 70 L 5.1049 7.6351 117.5359 52.6537 45.8061 175.2434 71 K 4.7897 9.0279 122.7265 54.7873 34.4428 174.8028 72 R 4.1751 8.4986 127.6376 55.0915 31.2904 174.9362 73 N 4.8554 8.4144 123.0378 51.1485 42.6155 173.1821 74 R 4.9200 8.2148 120.9302 54.7338 33.2576 175.2666 75 Q 4.3190 9.3955 127.3376 55.3495 31.2591 175.2975 76 G 3.8884 8.1779 118.1691 46.9413 0.0000 175.0249 77 L 4.1925 8.6715 124.8675 55.5862 42.1477 176.1201 78 E 4.3729 8.1116 120.9190 55.1508 30.4733 174.5491 79 I 5.0077 8.3117 126.3130 59.6812 39.3468 174.3827 80 Y 5.0477 8.5741 124.8657 55.4838 42.0247 173.9326 81 Y 5.1983 9.2770 118.2951 56.8845 41.1604 174.8155 82 S 5.2094 8.8765 115.3046 57.7543 67.4548 172.5549 83 I 4.8734 8.3973 121.0195 59.7289 38.0874 175.6461 84 N 4.8543 9.0193 122.7400 51.9780 38.9008 174.0881 85 N 4.6931 7.9245 118.7579 52.0398 40.1498 173.0703 86 P 4.2920 0.0000 0.0000 65.7897 31.4234 178.7204 87 K 3.9495 8.4223 117.2268 59.2936 31.9313 179.5669 88 V 3.5333 7.8384 118.0225 65.9761 31.5917 177.5067 89 E 3.9665 8.0946 118.7004 59.2147 29.6073 178.9165 90 G 3.5979 8.3311 106.0299 47.9121 0.0000 175.7768 91 I 3.7135 7.9466 122.4201 64.0966 36.9298 178.4192 92 I 3.6308 7.5607 118.3690 63.7347 37.8789 177.8808 93 K 3.7994 7.6731 119.4572 59.3742 31.6816 179.3363 94 L 3.9721 7.4349 117.3494 57.6946 41.5400 179.2735 95 L 4.1629 7.5836 118.2442 56.8166 41.6645 177.2463 96 N 4.6447 7.7144 121.3538 53.1676 37.6878 174.7097 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 Y 8.13 4.36 0.00 2.35 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 0.00 0.00 0.00 0.00 *13 S 8.10 4.34 0.00 4.06 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 14 L 8.17 3.95 0.00 1.77 1.70 0.92 0.88 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 15 E 8.10 4.00 0.00 2.09 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 2.40 2.46 0.00 16 D 8.05 4.34 0.00 2.96 2.71 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 17 D 8.31 4.32 0.00 2.84 2.71 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 18 A 8.12 3.98 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 19 E 8.51 3.89 0.00 2.16 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 0.00 2.31 2.36 0.00 20 L 7.78 3.95 0.00 1.81 1.87 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.62 4.12 0.00 1.82 1.70 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.99 4.12 0.00 1.83 2.01 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 23 T 7.72 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 1.26 0.00 0.00 *25 A 7.90 4.16 1.30 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 26 H 7.63 4.80 0.00 3.09 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.17 2.09 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 *29 R 8.01 4.20 0.00 2.04 1.98 0.00 3.22 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 30 L 8.10 4.02 0.00 1.83 1.70 0.90 1.04 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 31 K 8.07 3.96 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 32 I 7.68 3.68 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.86 0.00 0.00 33 V 7.88 3.62 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 1.01 0.00 0.00 1.01 0.00 0.00 34 N 8.45 4.40 0.00 2.95 2.99 0.00 0.00 7.26 8.47 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 35 E 8.49 4.05 0.00 2.24 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 2.60 2.54 0.00 36 L 8.24 4.33 0.00 1.93 1.82 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.96 4.18 0.00 2.92 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 38 K 7.90 3.77 0.00 1.70 1.57 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.68 7.81 39 H 8.45 4.63 0.00 3.13 3.32 0.00 5.97 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.56 4.30 0.00 1.90 1.98 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.49 7.81 41 A 7.58 5.15 1.04 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 0.00 0.00 42 L 8.98 5.03 0.00 1.71 1.59 1.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.73 5.19 0.00 2.89 3.26 0.00 0.00 6.37 7.65 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 44 V 8.71 3.65 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 0.94 0.00 0.00 1.11 0.00 0.00 45 T 7.95 3.94 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 1.22 0.00 0.00 46 Q 8.07 4.05 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 47 I 7.74 3.75 2.05 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 1.56 0.92 0.90 0.00 0.00 48 I 8.29 3.70 2.02 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 1.53 0.83 0.99 0.00 0.00 49 Q 8.03 4.06 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 50 I 7.43 3.93 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.94 0.00 0.00 51 L 8.15 4.15 0.00 1.73 1.73 0.97 1.20 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 52 K 8.22 3.87 0.00 1.92 1.90 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.54 7.81 53 L 7.58 4.89 0.00 1.59 1.54 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.39 0.00 2.14 1.97 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 55 Q 8.61 4.01 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 56 S 7.97 4.05 0.00 3.92 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 57 T 7.77 3.78 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 1.17 0.00 0.00 58 V 7.74 3.61 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 1.08 0.00 0.00 1.01 0.00 0.00 59 S 8.30 4.08 0.00 4.04 3.90 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 60 Q 7.93 3.90 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 61 H 7.73 4.18 0.00 3.31 3.26 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.77 3.89 0.00 1.59 1.27 0.70 0.12 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 63 C 8.02 4.31 0.00 3.06 3.12 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 0.00 0.00 0.00 0.00 64 K 7.59 4.08 0.00 1.95 1.77 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.48 7.81 *66 R 7.59 4.18 0.00 2.06 1.93 0.00 3.32 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 67 G 9.46 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.97 4.40 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.38 7.81 69 V 7.87 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 0.84 0.00 0.00 0.94 0.00 0.00 70 L 7.64 5.10 0.00 1.69 1.68 0.96 0.71 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 71 K 9.03 4.79 0.00 1.81 1.65 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.32 7.81 72 R 8.50 4.18 0.00 1.80 1.68 0.00 3.11 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.00 73 N 8.41 4.86 0.00 1.44 1.89 0.00 0.00 6.08 7.29 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 74 R 8.21 4.92 0.00 1.65 1.67 0.00 3.51 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 75 Q 9.40 4.32 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.44 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 76 G 8.18 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 77 L 8.67 4.19 0.00 1.66 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.11 4.37 0.00 2.06 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 2.41 2.33 0.00 79 I 8.31 5.01 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.65 0.00 0.00 80 Y 8.57 5.05 0.00 2.97 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 81 Y 9.28 5.20 0.00 2.95 2.96 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 82 S 8.88 5.21 0.00 3.98 4.11 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 0.00 0.00 0.00 83 I 8.40 4.87 1.96 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 1.47 0.73 0.96 0.00 0.00 84 N 9.02 4.85 0.00 2.80 2.90 0.00 0.00 6.17 8.04 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 85 N 7.92 4.69 0.00 2.79 2.75 0.00 0.00 7.17 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 86 P 0.00 4.29 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 87 K 8.42 3.95 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 88 V 7.84 3.53 2.24 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 1.04 0.00 0.00 0.94 0.00 0.00 89 E 8.09 3.97 0.00 2.14 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 0.00 2.30 2.39 0.00 90 G 8.33 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 0.00 0.00 0.00 91 I 7.95 3.71 1.95 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 1.38 0.85 0.88 0.00 0.00 92 I 7.56 3.63 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.51 0.60 0.00 0.00 93 K 7.67 3.80 0.00 1.86 1.70 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.57 1.38 7.81 94 L 7.43 3.97 0.00 1.78 1.70 0.90 0.90 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 95 L 7.58 4.16 0.00 1.73 1.69 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 N 7.71 4.64 0.00 2.82 2.78 0.00 0.00 6.81 7.51 0.00 0.00 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.