NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 G 3.9597 8.1976 109.7315 45.7274 0.0000 176.1635 14 S 4.0288 7.9062 115.7738 60.4907 62.9665 174.8215 15 G 3.6147 7.9279 109.3002 47.4201 0.0000 176.7844 16 I 3.7761 7.6248 114.9360 63.8340 37.9412 178.3188 17 V 3.5429 7.5159 120.3829 65.5411 31.3022 177.8137 18 Q 3.9203 8.4219 119.7346 59.2517 28.9407 177.9782 19 Q 3.9832 8.2422 120.6170 59.2393 28.9910 178.2502 20 Q 3.9895 8.3678 119.4564 58.7359 28.7150 178.4635 21 S 4.0622 8.0599 114.2385 61.4636 62.4234 175.7954 22 N 4.3000 8.1926 119.0208 56.5189 38.2864 177.3759 23 L 3.9489 8.0110 120.0392 57.5969 41.7359 179.1922 24 L 3.9207 8.0426 120.3264 58.4249 41.9677 179.2692 25 R 3.9317 8.1440 117.6052 59.1097 29.9055 178.9020 26 A 3.9765 8.0154 120.8220 55.2350 18.3660 179.8201 27 I 3.7364 7.9960 111.6560 63.9161 37.6998 178.3780 28 E 3.8813 8.3573 120.3557 59.2160 29.3128 179.0585 29 A 4.1129 8.2329 120.9258 55.4096 18.4118 179.7595 30 Q 3.9201 8.4846 116.9457 58.9698 28.6878 178.7698 31 Q 3.8715 8.1935 120.9894 59.3585 29.0231 178.0485 32 H 3.8817 7.7228 116.8231 58.5449 28.4965 177.6997 33 L 3.8378 7.5512 120.7460 57.7046 41.3811 179.4467 34 L 3.9802 8.0036 118.9538 58.0360 41.5557 179.6068 35 Q 4.0594 8.1336 117.7689 59.0784 28.5961 179.0227 36 L 4.2313 7.9698 119.9536 58.1138 41.6453 179.5239 37 T 4.2393 8.3852 113.3437 65.1118 67.2864 176.4461 38 V 3.6286 8.3416 120.6711 65.7577 31.5238 177.5821 39 W 4.2489 8.8830 128.7052 60.5233 30.4974 177.8794 40 G 3.4936 8.9377 106.1573 47.9387 0.0000 175.6644 41 I 3.7673 7.8483 116.0536 63.3103 37.4149 178.2623 42 K 3.7939 7.8309 119.4660 59.2810 32.0345 178.6125 43 Q 4.0147 7.8219 115.2050 55.4641 28.7963 176.6205 44 G 3.6675 7.5036 107.7332 45.0735 0.0000 173.0261 45 G 4.0100 6.7644 104.9452 42.5502 0.0000 173.8781 46 G 3.7453 7.1370 108.2822 42.5207 0.0000 174.9171 47 G 4.0352 8.3933 107.9568 44.1528 0.0000 174.2524 48 S 4.2883 8.7323 114.1779 61.4571 63.1015 175.8093 49 E 3.9226 8.2549 122.5103 58.7253 29.4717 178.2589 50 W 4.1786 8.3602 127.8908 60.8191 30.7845 177.6443 51 E 3.7434 8.4643 118.0362 59.1231 28.7555 179.4071 52 R 3.8342 8.2530 119.2434 59.4889 30.1715 178.5064 53 E 3.8876 8.2430 118.4278 59.2657 29.3458 179.1780 54 I 3.5204 7.4353 119.8653 64.4816 37.1416 178.2726 55 S 4.0390 7.9997 113.6270 61.4477 62.2287 175.8568 56 N 4.2146 8.2262 119.1741 56.7433 38.2197 177.1060 57 Y 4.0520 8.0832 117.9972 61.0942 37.8621 178.3990 58 T 3.9281 8.3060 117.1219 66.7494 68.5876 176.1960 59 D 4.4533 8.2720 120.6604 57.5574 40.9151 178.8797 60 I 3.6950 7.6605 120.0414 64.6191 37.0437 178.6068 61 I 3.7154 8.0883 120.7232 64.6331 36.8592 178.2042 62 Y 4.0224 8.2547 117.6772 60.9360 37.5686 178.7002 63 R 3.9828 8.1497 119.2626 59.2043 30.1077 179.0772 64 L 3.9998 8.0707 118.8466 57.7621 41.5276 179.6319 65 I 3.6748 8.0992 120.2091 64.1909 37.0387 178.0488 66 E 3.9218 8.3943 120.2560 59.4119 29.4592 178.5235 67 E 3.9769 8.4090 119.4079 59.4006 29.6170 179.0001 68 S 4.1292 8.3592 115.4822 61.5092 62.8681 176.6050 69 Q 4.0206 8.3472 120.9985 58.9485 28.4761 178.5652 70 N 4.3041 8.1932 117.4575 56.4689 38.5529 177.2709 71 Q 3.9606 8.2996 121.0652 59.0623 29.1125 177.9191 72 Q 3.9279 8.5249 121.1237 59.1901 29.0823 178.0143 73 E 3.9339 8.1818 120.2000 59.2927 29.6962 178.9512 74 K 3.9886 8.0093 118.4236 59.5755 32.0412 179.0894 75 N 4.3549 8.4493 116.9953 56.4039 38.3655 177.3820 76 E 3.9837 8.3245 120.0199 59.2478 29.4435 179.3259 77 Q 3.9785 8.1120 118.2100 58.9786 28.7649 178.4551 78 E 3.8803 8.2514 120.2336 59.1183 29.6640 178.4988 79 L 3.9441 8.1173 120.4303 58.2311 42.1743 178.9230 80 L 3.9980 8.3098 118.9785 57.7544 41.4857 179.4622 81 A 4.0192 8.2780 120.8505 55.0792 18.2935 179.4068 82 L 3.9407 8.2869 119.3109 58.3630 42.1821 178.5790 83 D 4.3922 8.6867 118.3744 57.3319 41.2714 178.2543 84 K 3.9884 8.3192 120.1068 59.2141 32.3162 178.5667 85 W 4.1517 8.7296 128.8840 60.5500 30.6565 177.8525 86 A 3.4300 8.7047 121.1952 54.7597 17.7236 179.6146 87 S 4.2194 8.1879 112.5101 60.9007 63.2097 176.7476 88 L 4.0320 7.7566 125.2726 57.8815 41.3155 179.1588 *89 W 4.0819 7.2973 121.5440 59.9079 28.4290 179.9272 90 N 4.7665 7.5092 120.7555 58.5616 37.3020 183.3348 *91 W 4.2391 7.5227 126.8502 61.7324 28.5309 180.5202 *92 F 4.4649 8.0699 121.8322 60.6005 38.2729 178.3598 93 D 5.1744 7.5845 122.9143 55.5493 38.4970 182.5993 94 I 4.3421 7.2104 123.5688 60.6426 36.4739 176.7738 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 13 G 8.20 3.96 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 0.00 0.00 0.00 14 S 7.91 4.03 0.00 4.13 4.12 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 15 G 7.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.78 1.87 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 1.58 0.55 0.91 0.00 0.00 17 V 7.52 3.54 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 0.98 0.00 0.00 0.92 0.00 0.00 18 Q 8.42 3.92 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 19 Q 8.24 3.98 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 20 Q 8.37 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 21 S 8.06 4.06 0.00 3.90 4.05 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 22 N 8.19 4.30 0.00 2.98 2.86 0.00 0.00 7.10 6.31 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 23 L 8.01 3.95 0.00 1.69 1.70 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.04 3.92 0.00 1.92 1.77 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.14 3.93 0.00 2.05 1.98 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 26 A 8.02 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.74 1.85 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 1.51 0.60 0.93 0.00 0.00 28 E 8.36 3.88 0.00 2.24 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 2.32 2.53 0.00 29 A 8.23 4.11 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.48 3.92 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 31 Q 8.19 3.87 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 32 H 7.72 3.88 0.00 2.55 1.92 0.00 5.87 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 33 L 7.55 3.84 0.00 1.81 1.66 0.90 0.64 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 34 L 8.00 3.98 0.00 1.89 1.71 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.13 4.06 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 36 L 7.97 4.23 0.00 1.85 1.65 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.39 4.24 4.48 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 1.33 0.00 0.00 38 V 8.34 3.63 2.35 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 1.00 0.00 0.00 1.00 0.00 0.00 39 W 8.88 4.25 0.00 3.64 3.46 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 0.00 0.00 0.00 0.00 40 G 8.94 3.49 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 0.00 0.00 0.00 41 I 7.85 3.77 1.85 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 1.52 0.41 0.99 0.00 0.00 42 K 7.83 3.79 0.00 1.70 1.62 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.53 7.81 43 Q 7.82 4.01 0.00 1.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.50 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 44 G 7.50 3.67 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 0.00 0.00 0.00 45 G 6.76 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 0.00 0.00 0.00 46 G 7.14 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 47 G 8.39 4.04 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 0.00 48 S 8.73 4.29 0.00 4.11 4.19 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 49 E 8.25 3.92 0.00 2.14 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 0.00 2.38 2.44 0.00 50 W 8.36 4.18 0.00 3.50 3.51 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 0.00 51 E 8.46 3.74 0.00 2.33 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 0.00 2.71 2.92 0.00 52 R 8.25 3.83 0.00 1.98 2.07 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 53 E 8.24 3.89 0.00 1.96 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 2.29 2.58 0.00 54 I 7.44 3.52 1.58 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.70 0.00 0.00 55 S 8.00 4.04 0.00 3.90 3.97 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 56 N 8.23 4.21 0.00 2.73 2.55 0.00 0.00 7.09 7.81 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 57 Y 8.08 4.05 0.00 3.06 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 58 T 8.31 3.93 4.46 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 0.00 0.00 0.00 1.53 0.00 0.00 59 D 8.27 4.45 0.00 2.86 2.72 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 0.00 0.00 0.00 60 I 7.66 3.69 2.06 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.99 0.94 0.00 0.00 61 I 8.09 3.72 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 1.50 0.90 0.66 0.00 0.00 62 Y 8.25 4.02 0.00 3.10 2.98 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 63 R 8.15 3.98 0.00 2.01 1.99 0.00 3.30 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 64 L 8.07 4.00 0.00 1.84 1.70 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.10 3.67 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.92 0.00 0.00 66 E 8.39 3.92 0.00 2.14 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 2.32 2.34 0.00 67 E 8.41 3.98 0.00 2.19 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 2.31 2.40 0.00 68 S 8.36 4.13 0.00 4.04 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 69 Q 8.35 4.02 0.00 2.26 2.16 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 2.39 2.55 0.00 70 N 8.19 4.30 0.00 2.92 2.87 0.00 0.00 6.68 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 71 Q 8.30 3.96 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 72 Q 8.52 3.93 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 73 E 8.18 3.93 0.00 2.14 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 2.31 2.40 0.00 74 K 8.01 3.99 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.69 7.81 75 N 8.45 4.35 0.00 2.90 2.86 0.00 0.00 7.06 8.52 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 76 E 8.32 3.98 0.00 2.16 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 2.33 2.43 0.00 77 Q 8.11 3.98 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 78 E 8.25 3.88 0.00 2.12 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 2.27 2.28 0.00 79 L 8.12 3.94 0.00 1.97 1.82 0.93 0.72 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 80 L 8.31 4.00 0.00 1.89 1.72 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.28 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 3.94 0.00 1.72 1.91 1.03 0.95 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 83 D 8.69 4.39 0.00 2.91 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 84 K 8.32 3.99 0.00 2.09 1.96 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 85 W 8.73 4.15 0.00 3.42 3.43 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 86 A 8.70 3.43 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.22 0.00 4.06 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 0.00 88 L 7.76 4.03 0.00 1.77 1.64 0.93 0.67 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 *89 W 7.30 4.08 0.00 2.62 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 90 N 7.51 4.77 0.00 2.77 2.83 0.00 0.00 7.08 7.84 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 *91 W 7.52 4.24 0.00 2.54 2.23 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 *92 F 8.07 4.46 0.00 2.39 2.23 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 93 D 7.58 5.17 0.00 2.77 2.53 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 94 I 7.21 4.34 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 1.27 1.03 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.