NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 P 4.4294 0.0000 0.0000 62.4364 32.8439 176.3185 20 V 3.5610 8.4262 118.6115 64.8077 30.9231 176.3575 21 L 4.2462 8.2946 121.6370 58.3722 41.8220 180.5359 22 E 3.9990 8.2692 118.4818 61.2351 29.6370 182.0452 23 I 3.7979 7.6340 120.3857 64.5007 37.2544 177.7779 24 Y 4.0817 7.6610 116.9561 61.2933 37.6403 178.9441 25 Q 3.9660 8.6417 120.4781 59.4027 29.2590 178.0422 26 D 4.3328 8.3597 120.3087 57.3602 40.8873 178.9193 27 I 3.5835 8.2988 120.5063 64.0323 37.0903 178.1315 28 A 3.9846 8.1461 121.7365 55.3914 18.2701 179.2339 29 N 4.2167 8.2810 114.8804 56.5705 38.4482 177.2655 30 L 3.9382 7.7445 120.3647 58.4873 42.2285 178.9406 31 T 4.1390 7.6613 108.2654 64.4734 68.9388 176.7334 32 S 4.3211 7.9379 118.4034 61.4250 62.9085 177.9534 33 R 4.0876 7.8198 119.5724 56.2588 29.9425 178.5960 *35 L 4.1894 7.9486 121.4927 55.1439 43.8287 178.4579 36 A 3.9758 8.2624 118.9032 55.0546 18.4920 179.2465 37 A 3.9220 8.1254 118.8599 55.1705 18.5321 179.2781 38 A 3.4995 7.9858 118.8211 55.7480 18.1375 179.2036 39 N 4.2607 8.2305 113.2155 56.3786 37.3797 176.5455 40 A 4.2060 7.8392 119.5091 51.3997 18.7059 177.9532 41 S 2.7900 7.5023 112.3495 59.2498 61.4223 173.3412 42 N 4.3475 6.4083 119.4696 51.9977 35.5852 174.9344 43 W 4.5175 7.0871 124.4481 59.4303 29.7137 177.4214 44 D 4.4164 8.2084 118.5615 57.3942 40.3153 178.5196 45 L 3.8927 7.9498 120.2090 57.9555 42.0745 178.6957 46 V 3.6530 7.8356 118.2588 66.3194 31.2299 177.9851 47 L 4.0317 8.3073 117.4526 57.9723 41.5385 179.0438 48 N 4.5156 8.2932 116.4837 56.5209 38.4398 177.2557 49 H 4.5444 8.3656 117.7402 58.5221 28.7006 178.0224 50 G 3.6082 7.8628 108.0308 47.6209 0.0000 175.7728 51 Q 4.0402 7.7810 119.0192 58.9495 28.7063 178.5560 52 E 3.9781 8.0834 119.8197 59.2817 29.7388 177.7916 53 Y 3.9832 8.3021 119.7311 60.7627 38.8371 178.0614 54 V 3.7254 8.0320 118.9933 66.4445 31.5691 177.3254 55 C 4.0139 8.1582 118.0647 62.7211 31.4347 175.7059 56 L 3.8895 8.0240 120.3928 57.6387 40.6897 179.4721 57 V 3.4274 8.2801 118.5766 66.2219 31.2068 178.0069 58 E 4.0433 8.3606 117.3803 59.1374 29.3984 178.7794 59 R 3.9729 7.9885 118.2388 59.2383 30.0047 178.4177 60 L 4.0313 7.3504 117.8118 57.2993 43.0440 177.6512 61 R 4.1561 7.1425 116.2281 54.8298 28.6766 175.9615 62 E 5.3845 7.7937 123.8020 57.0354 32.1423 176.4417 *69 L 4.0481 7.8782 117.0728 53.6883 41.8967 180.8875 70 D 4.7404 8.2765 124.6864 51.6732 41.7934 176.9272 71 E 3.8632 8.5529 119.1222 59.3326 29.4547 178.0339 72 A 3.9972 8.0772 118.9355 55.4851 18.4097 179.0556 73 A 4.0952 8.4514 118.3784 55.2002 18.6538 179.7639 74 R 4.2291 8.2388 116.9390 58.8273 30.1497 179.7024 75 G 3.9285 8.3231 103.1130 45.2219 0.0000 175.1333 *77 K 3.9590 7.9630 123.0111 55.9735 34.0933 177.5405 78 F 3.9784 8.3699 120.4520 61.5060 39.1016 176.5733 79 D 4.1868 8.1634 118.3206 57.4182 40.5624 179.1256 80 L 3.9329 7.4405 118.7849 57.3890 41.8143 178.6876 81 L 3.8256 7.6596 120.4142 58.3834 41.9511 179.2101 82 V 3.4154 7.2530 117.9030 65.8318 31.2920 178.0080 83 R 3.8163 7.5226 118.4751 59.3929 30.0069 178.3794 84 I 3.7453 8.2171 119.9316 64.4845 37.0131 178.3511 85 L 4.0245 8.2891 119.9446 58.0083 41.4275 179.4573 86 E 4.0045 8.5752 118.8324 59.5302 29.2571 179.3139 87 N 4.3953 8.2940 116.5641 56.2855 38.6454 177.2362 88 D 4.3451 8.2947 120.1241 57.3914 40.8581 178.7809 89 A 4.0140 7.9042 120.9124 55.0246 18.4735 179.5535 90 A 3.9401 8.3438 119.8041 55.1913 18.4424 180.0999 91 V 3.6298 8.1508 117.0337 66.2090 31.5857 178.3401 92 R 3.8973 8.0301 117.7877 59.6279 29.7333 178.8106 93 D 4.3551 8.1744 117.3457 57.0854 41.3259 178.8196 94 L 4.2036 7.9397 118.9170 57.8323 41.8491 179.2894 95 A 3.3621 8.4500 121.0501 54.9902 18.2437 179.7186 96 L 3.8823 8.1050 117.7303 57.2758 41.8176 177.9301 97 P 4.2939 0.0000 0.0000 65.3950 31.2766 178.6513 98 Q 3.9760 7.4568 115.4403 58.8430 28.6123 178.6079 99 L 3.8110 7.7700 121.1283 57.9165 41.8308 178.6664 100 A 3.9537 8.5501 121.3753 55.2090 18.1845 179.6584 101 R 3.9971 7.9014 113.9049 58.8298 29.8630 179.0060 102 L 3.9986 8.0433 119.9769 57.7432 41.3938 179.4871 103 S 4.1440 8.0072 114.3709 61.4768 62.7634 175.9151 104 D 4.4284 7.5985 119.9898 57.0001 41.0096 177.8319 105 L 4.0533 7.4425 120.0397 58.0318 42.3274 177.1678 106 L 4.3459 7.7462 121.8329 54.8996 41.8862 176.5085 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 19 P 0.00 4.43 0.00 2.22 2.11 0.00 3.59 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 2.02 2.09 0.00 20 V 8.43 3.56 2.14 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 0.98 0.00 0.00 0.97 0.00 0.00 21 L 8.29 4.25 0.00 1.75 1.80 0.93 1.02 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 22 E 8.27 4.00 0.00 1.98 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 2.25 2.23 0.00 23 I 7.63 3.80 1.81 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 1.56 0.30 0.68 0.00 0.00 24 Y 7.66 4.08 0.00 3.25 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 25 Q 8.64 3.97 0.00 2.37 2.17 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 2.35 2.27 0.00 26 D 8.36 4.33 0.00 2.79 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 27 I 8.30 3.58 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.41 0.00 0.00 28 A 8.15 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.22 0.00 2.87 2.88 0.00 0.00 6.74 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.74 3.94 0.00 1.73 1.92 0.97 1.06 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 31 T 7.66 4.14 4.33 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 1.55 0.00 0.00 32 S 7.94 4.32 0.00 4.10 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 0.00 33 R 7.82 4.09 0.00 1.87 1.77 0.00 3.07 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 *35 L 7.95 4.19 0.00 1.91 1.86 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.26 3.98 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 37 A 8.13 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.50 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 39 N 8.23 4.26 0.00 2.82 2.89 0.00 0.00 7.09 6.92 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 40 A 7.84 4.21 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 41 S 7.50 2.79 0.00 3.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 6.41 4.35 0.00 2.64 2.49 0.00 0.00 7.25 7.83 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 43 W 7.09 4.52 0.00 3.50 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 44 D 8.21 4.42 0.00 2.69 2.73 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 45 L 7.95 3.89 0.00 1.70 1.77 0.81 0.85 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 46 V 7.84 3.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.07 0.00 0.00 47 L 8.31 4.03 0.00 1.92 1.75 0.95 1.10 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 48 N 8.29 4.52 0.00 2.92 2.81 0.00 0.00 6.99 7.74 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 49 H 8.37 4.54 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.86 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 51 Q 7.78 4.04 0.00 2.48 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 52 E 8.08 3.98 0.00 2.10 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 0.00 2.40 2.39 0.00 53 Y 8.30 3.98 0.00 3.12 3.04 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 54 V 8.03 3.73 2.30 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 1.04 0.00 0.00 1.01 0.00 0.00 55 C 8.16 4.01 0.00 3.06 3.20 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 0.00 0.00 0.00 0.00 56 L 8.02 3.89 0.00 1.77 1.52 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.28 3.43 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 1.03 0.00 0.00 0.77 0.00 0.00 58 E 8.36 4.04 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 2.60 2.46 0.00 59 R 7.99 3.97 0.00 2.16 2.13 0.00 3.38 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 60 L 7.35 4.03 0.00 1.70 1.60 0.49 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.14 4.16 0.00 1.97 1.92 0.00 3.26 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 62 E 7.79 5.38 0.00 1.92 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 0.00 2.02 2.06 0.00 *69 L 7.88 4.05 0.00 1.73 1.52 0.92 1.01 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 70 D 8.28 4.74 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.55 3.86 0.00 2.05 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 2.36 2.36 0.00 72 A 8.08 4.00 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.45 4.10 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 74 R 8.24 4.23 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 75 G 8.32 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 K 7.96 3.96 0.00 1.78 1.88 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.65 7.81 78 F 8.37 3.98 0.00 3.23 3.10 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 79 D 8.16 4.19 0.00 2.70 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 80 L 7.44 3.93 0.00 1.73 1.71 0.94 0.53 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 81 L 7.66 3.83 0.00 1.59 1.43 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.25 3.42 1.73 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 0.86 0.00 0.00 0.22 0.00 0.00 83 R 7.52 3.82 0.00 1.90 2.10 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 84 I 8.22 3.75 2.04 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 1.54 0.89 1.00 0.00 0.00 85 L 8.29 4.02 0.00 1.76 1.72 0.93 0.89 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 86 E 8.58 4.00 0.00 2.03 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 2.42 0.00 87 N 8.29 4.40 0.00 2.96 2.90 0.00 0.00 7.00 7.70 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 88 D 8.29 4.35 0.00 2.74 2.73 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 89 A 7.90 4.01 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 90 A 8.34 3.94 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 91 V 8.15 3.63 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 1.11 0.00 0.00 1.07 0.00 0.00 92 R 8.03 3.90 0.00 2.08 1.95 0.00 3.16 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 1.62 1.85 0.00 93 D 8.17 4.36 0.00 2.81 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 94 L 7.94 4.20 0.00 2.07 1.96 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.45 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.10 3.88 0.00 1.69 1.66 0.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.29 0.00 2.15 2.08 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 98 Q 7.46 3.98 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 99 L 7.77 3.81 0.00 1.64 1.66 0.81 0.87 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 0.00 100 A 8.55 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.00 0.00 2.08 2.30 0.00 2.78 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 102 L 8.04 4.00 0.00 1.68 1.73 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.01 4.14 0.00 3.81 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 0.00 104 D 7.60 4.43 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.44 4.05 0.00 1.73 1.86 0.92 1.01 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 0.00 106 L 7.75 4.35 0.00 1.72 1.55 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.