NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2954 8.2649 123.5817 51.6192 20.2586 176.4002 3 L 4.0006 8.2119 122.5397 54.0761 42.2527 174.9094 4 M 4.3447 8.6909 124.2788 56.3217 33.4344 176.4249 5 G 3.9238 8.9744 110.9414 45.5828 0.0000 173.3841 6 G 3.9788 7.6159 106.6175 45.1044 0.0000 173.7566 7 I 4.4304 8.0536 121.0607 60.3628 37.9118 175.9214 8 V 4.6481 8.5877 126.8883 60.5479 35.1428 174.8637 9 D 4.7223 8.5847 124.7365 53.2873 40.3310 175.5804 *16 S 4.1897 8.2452 113.7042 58.0640 63.7797 174.6788 17 A 3.9707 8.4944 126.8669 55.3341 18.3206 179.7794 18 E 3.8530 8.1119 117.3762 59.5232 29.7921 179.0098 19 V 3.5815 7.7721 117.7243 65.9288 31.5879 177.6524 20 E 4.0571 8.0757 117.9869 59.5994 29.3749 179.2502 21 E 3.9748 8.1029 117.9500 59.1104 29.3716 179.3975 22 L 4.1673 7.8983 119.2269 57.4525 41.6683 179.3060 23 A 3.9570 7.9712 120.9002 55.1307 18.3568 179.6571 24 R 2.9973 7.5571 117.2402 59.0810 30.0356 178.4594 25 F 4.0873 8.4775 120.6552 61.1497 39.3606 176.8601 26 A 3.6752 8.2944 120.7104 55.1173 18.1215 179.8339 27 V 3.2546 7.5695 116.5100 66.2052 31.5631 177.9951 28 D 4.1986 7.9400 118.6448 57.2190 40.6051 178.4126 29 E 3.5889 8.0089 120.2512 59.2698 29.5184 178.3954 30 H 3.7377 7.7688 118.2704 59.1452 29.8058 177.0048 31 N 4.1605 8.1084 118.6081 56.0532 38.0799 177.6029 32 K 3.8749 7.8164 119.1045 59.5058 32.2753 179.3380 33 K 4.0795 7.8012 117.2997 58.4391 31.9583 178.1279 34 E 4.3636 7.7358 116.3797 54.4609 30.3958 175.0967 35 N 4.0261 7.9683 112.3667 54.3636 36.2527 173.4730 36 A 4.6996 7.5426 118.7034 50.9013 21.3486 177.0972 37 L 4.8238 7.9135 117.1916 54.2431 42.7063 177.5188 38 L 4.2478 8.2022 118.8106 54.8040 42.4129 176.6497 39 Q 4.5129 8.5433 124.9315 54.1853 30.5581 174.3552 40 F 4.5364 9.0059 129.9615 59.2902 39.4364 173.9518 41 S 4.3921 8.4867 121.7513 58.9982 63.1075 174.0401 42 R 3.9098 6.7056 112.8643 55.0566 32.1017 173.0805 43 L 4.7481 8.6498 123.3095 54.7203 41.7241 176.5403 44 V 3.9756 8.7124 121.6249 63.9611 32.4092 176.9284 45 K 4.7348 7.7994 118.7700 55.2494 35.6197 174.5068 46 A 5.2568 8.4696 126.0766 50.4255 22.3174 175.4982 47 K 4.9548 9.3257 120.1722 54.6734 37.1006 175.4416 48 Q 5.1329 9.4031 120.4196 54.5604 32.5070 173.9048 49 Q 4.9083 8.8835 121.3564 54.3869 32.7871 174.0058 50 V 4.3046 8.4439 126.3753 62.4774 32.4894 173.7739 51 V 4.5262 8.6785 124.4532 61.0139 32.5373 178.1595 52 S 4.5751 8.8303 120.6012 60.3662 61.8247 173.9521 53 G 4.5293 9.2867 116.5967 43.9211 0.0000 170.1279 54 I 5.0581 9.2819 122.0402 59.6794 41.3879 174.3368 55 M 4.9726 9.3494 126.6015 54.3089 34.2426 174.0313 56 H 5.1083 9.4370 124.6690 55.0695 31.0287 174.1793 57 H 5.1284 9.7930 121.6059 54.4566 30.0883 173.1875 58 L 5.0819 9.0601 124.5524 53.1733 44.3568 175.8791 59 T 5.0711 9.3208 121.3466 62.0047 70.4319 173.9948 60 V 4.9693 9.0231 126.8547 59.7699 34.8022 174.2127 61 E 4.9277 9.4033 125.8066 55.5151 31.2232 175.3581 62 V 5.2027 9.2782 119.2610 59.7681 37.0051 174.0135 63 I 4.9061 8.4856 121.5730 59.7132 40.0397 174.8248 64 E 4.3185 9.4501 128.6211 54.1916 32.0107 175.8559 65 G 3.7379 9.5115 118.1323 46.7994 0.0000 173.7979 66 G 3.9843 8.5514 107.1440 44.7833 0.0000 173.8992 67 K 4.6755 7.5109 119.6350 54.2009 34.6812 175.9969 68 K 4.6785 8.6214 124.2308 56.5327 32.8969 176.3296 69 K 4.6382 9.4741 125.1236 54.9262 36.0426 174.5438 70 V 4.9330 8.2681 125.2042 61.4943 33.8789 173.9368 71 Y 4.6919 9.3830 124.8486 56.0588 42.1675 173.9413 72 E 4.9931 9.2163 123.0632 54.5983 31.6929 174.4419 73 A 5.3043 9.1578 129.0376 50.0160 22.5936 174.7841 74 K 5.0081 9.2471 121.2023 54.6289 35.1303 175.3472 75 V 4.9301 8.8590 125.7868 60.8760 34.1397 174.0948 76 W 5.3785 9.7590 135.0000 56.4953 31.9451 174.7580 77 V 4.4867 9.4750 128.6692 61.3331 33.5303 174.4652 78 Q 4.2478 8.3190 126.8382 53.2446 29.4376 175.8937 79 A 3.8840 8.5009 127.5655 54.6796 18.7835 180.0996 80 W 4.2118 8.4862 111.1211 58.7321 28.2642 176.6467 81 L 4.2399 6.9128 116.6018 53.4247 41.4987 175.3385 82 N 3.9926 7.7153 116.2429 54.4898 38.0844 173.2375 83 S 4.6051 7.4359 109.7367 56.0811 64.9931 172.8719 84 K 4.6848 8.0154 126.7627 55.2189 34.7918 175.0517 85 K 4.8795 9.1747 126.7941 54.4085 36.4766 175.5181 86 L 4.5693 8.8380 126.4705 55.3513 41.6435 175.5805 87 H 4.7314 9.6229 128.3741 58.6433 30.7583 174.8564 88 E 4.8428 8.0626 116.4441 55.3387 33.1999 174.1568 89 F 5.1846 8.4340 126.6250 57.8099 42.0824 173.1463 90 S 4.8854 8.7525 119.1839 56.6007 66.6502 174.1576 91 P 4.2005 0.0000 0.0000 62.4682 30.6667 176.0186 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 A 8.26 4.30 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 3 L 8.21 4.00 0.00 1.76 1.60 0.91 0.67 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 4 M 8.69 4.34 0.00 2.00 2.00 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 2.60 2.48 0.00 5 G 8.97 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 6 G 7.62 3.98 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 0.00 0.00 0.00 7 I 8.05 4.43 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.53 0.69 0.00 0.00 8 V 8.59 4.65 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 0.89 0.00 0.00 0.92 0.00 0.00 9 D 8.58 4.72 0.00 2.82 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 *16 S 8.25 4.19 0.00 3.93 3.84 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 17 A 8.49 3.97 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 18 E 8.11 3.85 0.00 2.04 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 2.33 2.33 0.00 19 V 7.77 3.58 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 1.07 0.00 0.00 0.97 0.00 0.00 20 E 8.08 4.06 0.00 2.29 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 2.43 2.65 0.00 21 E 8.10 3.97 0.00 2.14 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 0.00 2.32 2.46 0.00 22 L 7.90 4.17 0.00 1.82 1.71 0.64 0.80 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 23 A 7.97 3.96 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 24 R 7.56 3.00 0.00 1.66 1.88 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 25 F 8.48 4.09 0.00 3.08 3.14 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 26 A 8.29 3.68 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.25 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 1.12 0.00 0.00 1.20 0.00 0.00 28 D 7.94 4.20 0.00 2.57 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 29 E 8.01 3.59 0.00 1.16 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 1.95 2.10 0.00 30 H 7.77 3.74 0.00 2.14 2.61 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.11 4.16 0.00 2.77 2.86 0.00 0.00 7.07 7.30 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 32 K 7.82 3.87 0.00 1.74 1.78 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.55 7.81 33 K 7.80 4.08 0.00 1.56 1.77 0.00 1.53 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.49 7.81 34 E 7.74 4.36 0.00 1.75 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 2.18 2.29 0.00 35 N 7.97 4.03 0.00 2.80 2.80 0.00 0.00 6.92 7.35 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 36 A 7.54 4.70 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 37 L 7.91 4.82 0.00 1.60 1.63 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.20 4.25 0.00 1.72 1.62 0.63 0.67 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 39 Q 8.54 4.51 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 40 F 9.01 4.54 0.00 3.02 3.05 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 41 S 8.49 4.39 0.00 3.82 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 42 R 6.71 3.91 0.00 1.74 1.74 0.00 2.97 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 43 L 8.65 4.75 0.00 1.94 1.78 1.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.71 3.98 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 0.72 0.00 0.00 0.99 0.00 0.00 45 K 7.80 4.73 0.00 1.85 1.61 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.53 7.81 46 A 8.47 5.26 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 47 K 9.33 4.95 0.00 1.68 1.70 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.38 7.81 48 Q 9.40 5.13 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 49 Q 8.88 4.91 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 50 V 8.44 4.30 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 0.96 0.00 0.00 0.96 0.00 0.00 51 V 8.68 4.53 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.94 0.00 0.00 52 S 8.83 4.58 0.00 4.09 4.29 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 53 G 9.29 4.53 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 0.00 54 I 9.28 5.06 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.04 0.80 0.00 0.00 55 M 9.35 4.97 0.00 2.20 1.81 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 56 H 9.44 5.11 0.00 3.16 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 9.79 5.13 0.00 3.12 3.41 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.06 5.08 0.00 1.62 1.64 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 T 9.32 5.07 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 1.22 0.00 0.00 60 V 9.02 4.97 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 0.90 0.00 0.00 1.45 0.00 0.00 61 E 9.40 4.93 0.00 2.02 1.91 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 2.25 2.29 0.00 62 V 9.28 5.20 2.25 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 0.83 0.00 0.00 1.14 0.00 0.00 63 I 8.49 4.91 1.90 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 1.12 0.93 0.93 0.00 0.00 64 E 9.45 4.32 0.00 2.10 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 2.26 2.33 0.00 65 G 9.51 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 0.00 0.00 0.00 66 G 8.55 3.98 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 0.00 0.00 0.00 67 K 7.51 4.68 0.00 1.85 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.60 7.81 68 K 8.62 4.68 0.00 1.64 1.75 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 69 K 9.47 4.64 0.00 1.79 1.78 0.00 1.72 0.00 0.00 1.44 0.00 0.00 2.30 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.99 1.25 7.81 70 V 8.27 4.93 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 0.94 0.00 0.00 0.93 0.00 0.00 71 Y 9.38 4.69 0.00 2.35 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 0.00 0.00 0.00 72 E 9.22 4.99 0.00 1.99 1.87 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 2.21 2.27 0.00 73 A 9.16 5.30 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 74 K 9.25 5.01 0.00 1.81 1.73 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 1.32 7.81 75 V 8.86 4.93 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 1.18 0.00 0.00 1.15 0.00 0.00 76 W 9.76 5.38 0.00 3.34 3.07 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 77 V 9.47 4.49 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 0.77 0.00 0.00 0.92 0.00 0.00 78 Q 8.32 4.25 0.00 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 1.90 1.55 0.00 79 A 8.50 3.88 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 80 W 8.49 4.21 0.00 3.36 3.30 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 81 L 6.91 4.24 0.00 1.15 1.38 0.51 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.72 3.99 0.00 2.69 2.72 0.00 0.00 6.92 8.46 0.00 0.00 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 S 7.44 4.61 0.00 3.58 3.14 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 84 K 8.02 4.68 0.00 1.37 1.11 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.47 1.01 7.81 85 K 9.17 4.88 0.00 1.86 1.79 0.00 1.36 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.34 1.22 7.81 86 L 8.84 4.57 0.00 1.48 1.58 1.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 H 9.62 4.73 0.00 3.26 3.50 0.00 6.03 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.06 4.84 0.00 2.05 1.75 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 2.33 2.31 0.00 89 F 8.43 5.18 0.00 3.00 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 90 S 8.75 4.89 0.00 3.93 3.95 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 91 P 0.00 4.20 0.00 1.95 1.60 0.00 3.41 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.