NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6914 8.3349 115.5513 58.2997 63.7900 172.5289 3 D 4.7551 8.6079 127.1004 52.5476 43.1061 173.9132 4 T 4.6805 8.5173 119.8660 62.2178 70.5963 173.4491 5 L 4.6693 8.8314 128.4920 53.4260 44.7200 174.3402 6 Y 5.1252 9.1219 124.5686 56.5327 40.3031 174.7172 7 I 4.9325 8.7222 124.4748 59.4498 40.4557 174.5856 8 K 4.9069 9.0100 128.0192 54.5641 35.7410 174.4590 *10 D 4.6165 8.4519 122.4578 54.2306 41.8664 175.7724 11 Q 4.2228 8.6777 121.7725 59.0908 30.0820 175.6610 12 A 5.2174 7.6614 117.2714 50.8310 22.4991 175.8834 13 V 4.4980 8.8202 112.9781 59.8122 36.4210 174.3889 14 E 4.9206 8.7013 123.2261 55.3811 30.8013 175.4769 15 I 4.3336 8.1955 122.6212 59.8031 40.9491 175.7040 16 T 3.7226 8.8272 124.8763 64.8609 67.5834 175.0896 17 K 4.4174 7.5769 118.2612 55.5669 34.3792 176.7679 18 K 4.1337 8.6516 119.2831 59.5057 32.2416 176.4649 19 Q 4.4399 7.9188 118.7301 55.2875 29.9580 174.6744 20 V 4.6361 8.6938 125.9283 61.6809 34.6082 174.4326 21 T 4.8760 8.2835 120.9575 61.5919 72.5232 175.0607 22 V 3.5549 8.8925 124.9277 66.2558 31.4048 178.4402 23 G 3.7263 8.6602 108.8532 48.7928 0.0000 174.9281 24 D 4.2218 8.0146 118.0584 55.9100 40.8194 177.1394 25 V 4.3710 7.7185 109.8551 60.5885 33.4575 175.2206 26 A 4.8623 7.4627 120.4909 50.4550 22.4236 176.0456 27 K 4.4213 9.1382 121.6174 55.6712 33.7688 176.0908 28 L 5.3675 8.4182 123.0067 53.2594 45.3795 175.6580 29 Q 4.6579 8.9662 122.0412 55.2346 33.2627 172.8933 30 C 5.0725 8.3741 122.6047 58.5145 34.3667 174.6531 31 K 3.7625 9.0854 126.7181 58.5267 32.4552 175.8943 32 N 4.6946 7.4358 115.9044 51.8911 38.8288 175.4096 33 K 4.2520 8.4296 126.0741 58.5452 32.2140 178.9386 34 N 4.4689 8.5487 117.7832 56.0809 38.3275 177.2294 35 I 3.2383 7.4001 119.9018 64.5313 37.2008 178.2151 36 T 3.8645 7.8602 115.8648 67.1280 68.0794 176.1394 37 N 4.3862 8.4253 117.0031 56.4750 38.3401 176.9561 38 R 4.0191 8.5736 120.5643 59.6479 29.9627 178.1563 39 L 4.0796 8.5594 120.5424 57.9888 42.4809 178.6245 40 K 4.2308 8.1571 119.6372 58.5398 31.9603 176.2616 41 S 4.6788 7.3784 116.2765 57.0556 62.1944 173.6870 *43 K 4.2276 8.2461 124.2114 56.2451 33.0900 174.3079 44 L 4.6008 9.0403 124.0517 56.0999 43.7877 175.8918 45 L 4.9999 7.8222 119.3271 53.0313 45.8067 174.1158 46 E 4.7752 8.1864 119.3244 54.7518 32.8744 175.0796 47 D 4.0904 8.5479 122.5221 52.9391 40.2491 176.9469 48 T 4.4303 8.4120 126.9064 61.3159 69.8057 173.8747 *51 G 4.0165 8.0490 109.2753 45.1631 0.0000 174.7781 52 K 4.7095 8.6149 121.9805 54.7135 35.0226 175.1808 53 K 4.7568 8.3094 117.4597 56.4529 33.4949 175.4108 54 R 5.1917 8.0988 118.4859 54.8762 31.9866 175.5803 55 Y 4.9021 9.6249 120.8032 56.0918 42.3907 174.1570 56 I 5.0054 8.5254 120.9053 59.2982 40.7690 174.5280 57 V 4.4752 8.7928 129.2492 61.1763 33.8660 174.3182 58 S 5.1776 8.4861 121.8617 55.4531 64.6004 175.4905 59 I 4.0848 8.2236 127.7503 60.4072 36.4762 177.7019 *61 K 4.2652 8.0786 122.0127 56.4242 34.0894 177.3877 62 I 3.6276 7.2899 118.8543 64.3333 37.4467 177.5653 63 I 3.8838 7.9508 121.3528 64.3038 37.3382 178.1958 64 E 3.9475 7.7944 117.1270 57.0018 29.0319 177.9930 *66 A 4.3565 8.1187 121.7060 51.9672 20.4595 179.4622 67 D 4.4510 8.1696 114.2606 57.7193 41.0628 178.3749 68 Q 4.1116 7.9948 117.2670 58.3415 28.8106 177.2629 69 T 4.1324 7.4277 105.8430 61.6059 70.1235 174.4973 70 F 5.0577 7.8848 120.3744 55.6199 40.9733 174.7371 71 Q 4.4516 8.4916 124.2551 55.8563 30.5314 174.8888 72 N 4.2387 8.7137 119.8624 54.6494 37.2687 172.8790 73 V 4.6585 7.2100 113.3590 60.7885 33.1993 174.3621 74 D 4.8403 9.2098 128.6969 53.0771 42.7031 175.4464 75 I 4.7546 8.2714 123.7062 59.6287 39.5480 174.7952 76 Q 4.5675 8.8950 126.2866 54.1046 31.2839 174.1405 77 N 5.0966 8.7614 123.0077 52.5784 39.1040 174.1969 78 I 4.0325 8.9893 128.9973 62.4129 37.9289 177.5551 79 G 4.1251 7.8658 112.4344 45.1397 0.0000 173.4617 80 E 4.2504 8.6955 124.7777 56.6808 30.2651 176.4285 81 T 4.5401 8.3296 109.1255 62.0800 70.6247 173.9071 82 E 5.1466 8.0305 121.3608 54.6940 34.2125 173.8166 83 C 5.1979 9.3004 123.5150 57.6078 35.0734 172.6883 84 V 4.5181 9.0700 126.8789 61.9550 32.5796 174.4707 85 V 4.7429 8.8996 129.0152 61.2454 33.9376 174.0810 86 E 5.7959 8.7189 127.4635 53.6776 33.0322 173.9148 87 F 5.2015 9.1493 125.1920 56.4719 40.6448 175.0663 88 K 4.4893 8.0669 120.6587 56.1344 35.8058 175.0618 89 T 4.2256 8.6268 114.9994 61.8201 69.0148 174.3812 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 8.33 4.69 0.00 4.00 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 3 D 8.61 4.76 0.00 2.51 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.52 4.68 4.02 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 0.54 0.00 0.00 5 L 8.83 4.67 0.00 1.52 1.34 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.12 5.13 0.00 2.89 2.86 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 0.00 0.00 0.00 7 I 8.72 4.93 1.90 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 1.14 0.86 0.94 0.00 0.00 8 K 9.01 4.91 0.00 1.80 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 *10 D 8.45 4.62 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.22 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 12 A 7.66 5.22 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 13 V 8.82 4.50 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 0.74 0.00 0.00 0.88 0.00 0.00 14 E 8.70 4.92 0.00 1.81 1.83 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 2.24 2.22 0.00 15 I 8.20 4.33 1.44 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.50 -0.02 0.00 0.00 16 T 8.83 3.72 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 1.19 0.00 0.00 17 K 7.58 4.42 0.00 1.94 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.62 7.81 18 K 8.65 4.13 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.41 7.81 19 Q 7.92 4.44 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 20 V 8.69 4.64 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 0.91 0.00 0.00 0.90 0.00 0.00 21 T 8.28 4.88 4.51 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 0.00 0.00 0.00 1.34 0.00 0.00 22 V 8.89 3.55 2.31 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 1.00 0.00 0.00 0.95 0.00 0.00 23 G 8.66 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.22 0.00 2.81 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 25 V 7.72 4.37 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 0.66 0.00 0.00 0.96 0.00 0.00 26 A 7.46 4.86 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 27 K 9.14 4.42 0.00 1.76 1.74 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.46 7.81 28 L 8.42 5.37 0.00 1.50 1.55 0.96 0.87 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 29 Q 8.97 4.66 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 30 C 8.37 5.07 0.00 2.95 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 31 K 9.09 3.76 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 32 N 7.44 4.69 0.00 2.77 2.61 0.00 0.00 7.08 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.43 4.25 0.00 1.88 1.83 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.58 7.81 34 N 8.55 4.47 0.00 2.89 2.88 0.00 0.00 6.84 6.97 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 35 I 7.40 3.24 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.32 0.30 0.00 0.00 36 T 7.86 3.86 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 37 N 8.43 4.39 0.00 2.85 2.91 0.00 0.00 7.03 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 38 R 8.57 4.02 0.00 2.28 2.51 0.00 3.24 0.00 0.00 3.46 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 39 L 8.56 4.08 0.00 1.99 1.82 1.02 1.04 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 40 K 8.16 4.23 0.00 2.17 1.83 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.52 7.81 41 S 7.38 4.68 0.00 3.94 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 *43 K 8.25 4.23 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 44 L 9.04 4.60 0.00 1.56 1.75 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.82 5.00 0.00 1.65 1.43 0.61 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.19 4.78 0.00 1.88 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 2.06 2.23 0.00 47 D 8.55 4.09 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.43 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 1.23 0.00 0.00 *51 G 8.05 4.02 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 0.00 0.00 0.00 52 K 8.61 4.71 0.00 1.80 1.73 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.28 7.81 53 K 8.31 4.76 0.00 1.84 2.00 0.00 1.67 0.00 0.00 2.07 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 54 R 8.10 5.19 0.00 1.63 1.85 0.00 3.15 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 1.58 1.65 0.00 55 Y 9.62 4.90 0.00 2.89 2.89 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 56 I 8.53 5.01 1.91 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 1.26 0.86 0.95 0.00 0.00 57 V 8.79 4.48 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 0.87 0.00 0.00 0.97 0.00 0.00 58 S 8.49 5.18 0.00 3.96 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 59 I 8.22 4.08 1.89 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 1.20 1.07 0.96 0.00 0.00 *61 K 8.08 4.27 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 62 I 7.29 3.63 2.06 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 1.31 0.66 0.94 0.00 0.00 63 I 7.95 3.88 1.88 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 1.19 1.06 0.92 0.00 0.00 64 E 7.79 3.95 0.00 1.92 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 2.45 2.26 0.00 *66 A 8.12 4.36 1.58 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 0.00 0.00 67 D 8.17 4.45 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.99 4.11 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 69 T 7.43 4.13 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 0.95 0.00 0.00 70 F 7.88 5.06 0.00 3.15 2.90 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 71 Q 8.49 4.45 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.25 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 72 N 8.71 4.24 0.00 2.94 2.85 0.00 0.00 6.58 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 73 V 7.21 4.66 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 0.74 0.00 0.00 0.83 0.00 0.00 74 D 9.21 4.84 0.00 2.53 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.27 4.75 1.84 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 1.30 0.56 0.89 0.00 0.00 76 Q 8.90 4.57 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 1.97 2.35 0.00 77 N 8.76 5.10 0.00 2.74 2.76 0.00 0.00 7.15 7.94 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 78 I 8.99 4.03 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.92 0.00 0.00 79 G 7.87 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 0.00 0.00 0.00 0.00 80 E 8.70 4.25 0.00 1.98 2.01 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 2.32 2.34 0.00 81 T 8.33 4.54 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 1.22 0.00 0.00 82 E 8.03 5.15 0.00 1.86 1.83 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 2.30 2.23 0.00 83 C 9.30 5.20 0.00 2.98 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 84 V 9.07 4.52 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 0.97 0.00 0.00 0.95 0.00 0.00 85 V 8.90 4.74 2.20 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 0.68 0.00 0.00 0.92 0.00 0.00 86 E 8.72 5.80 0.00 2.10 1.83 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 2.28 2.19 0.00 87 F 9.15 5.20 0.00 2.98 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 88 K 8.07 4.49 0.00 1.62 1.65 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.38 7.81 89 T 8.63 4.23 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.