NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.3063 8.2601 123.5907 51.6564 19.6946 176.6120 41 A 4.1309 8.5862 126.7369 51.0151 19.0906 174.6380 42 P 4.4866 0.0000 0.0000 62.1750 32.9969 174.8077 43 E 4.2661 8.4320 119.6205 56.2751 29.9836 177.1512 44 S 4.8383 8.3862 116.0934 58.6737 64.3539 172.7274 45 F 5.0868 8.4822 114.4877 56.0593 41.7970 173.1654 46 D 5.0574 8.7154 118.9573 53.6398 43.6257 173.7926 47 E 4.7984 9.5105 123.3501 55.5368 33.9259 173.8517 48 V 4.7845 8.3611 120.1115 61.5054 32.9399 174.1485 49 Y 4.6109 9.2355 129.7652 56.6878 40.6357 175.6167 50 K 3.5582 9.2763 128.3573 57.4633 29.6934 175.9659 51 G 3.9621 8.2338 104.0512 45.5582 0.0000 173.5910 52 R 4.7410 7.8845 119.2840 53.9439 32.8572 174.9197 53 R 4.7986 9.0421 123.1249 56.1219 31.2718 175.0019 54 I 5.2206 9.1699 120.6834 59.3473 40.4808 174.6118 55 Q 4.6616 9.0876 123.6919 54.0312 33.1936 174.4284 56 G 4.1177 7.3719 108.6526 44.5238 0.0000 171.5242 57 R 4.8605 7.8271 117.3195 53.5103 33.0716 172.7549 58 P 4.7487 0.0000 0.0000 62.5538 32.4596 175.7986 59 A 4.5333 8.9542 122.2912 52.8842 20.3120 178.5313 *66 H 4.8203 9.4274 119.3189 57.1736 30.5531 172.0342 67 E 4.6116 7.6473 115.4510 55.1875 31.7973 174.1312 68 H 4.5158 8.6635 115.7137 55.1159 29.3479 176.3178 69 G 3.7919 8.3014 109.8574 44.4863 0.0000 172.2452 70 G 3.7631 8.0336 114.2048 44.7045 0.0000 171.6445 71 G 4.0992 8.7034 110.0202 46.8182 0.0000 172.1833 72 Y 5.2466 7.8620 120.4422 56.0377 42.1990 173.6511 73 E 4.7206 8.7558 125.1329 54.4590 33.0203 175.1541 74 V 4.9121 7.9774 121.9340 61.1405 35.5956 174.0137 75 F 5.3068 9.2231 123.7994 55.6842 43.4384 173.9463 76 V 4.5338 8.9917 122.9035 61.2704 33.7398 175.4151 77 D 4.4436 10.2377 130.9534 55.5245 38.8381 175.1761 78 G 3.9013 8.3410 104.3404 45.5447 0.0000 173.4545 79 V 4.3265 7.7247 120.7630 60.8126 32.7713 174.8582 80 Q 4.0995 8.7723 128.6266 55.8603 29.5959 174.3391 81 L 4.7660 8.5407 127.7145 53.3807 43.9510 175.2880 82 H 3.9910 8.5794 126.6396 56.1669 30.7720 174.2693 83 V 5.0679 7.9625 117.5544 60.0722 35.9251 174.4194 84 M 4.7333 9.0620 120.9520 54.2259 35.9474 173.4014 85 R 3.5634 7.8619 125.3058 54.6818 31.5801 175.3127 86 N 4.6783 8.6134 123.1506 51.5169 40.5128 176.0154 87 A 3.8832 8.5920 123.5509 55.4471 18.4341 178.4138 88 D 4.5103 7.9231 112.3200 53.5364 39.6149 177.3599 89 G 3.8568 8.2389 109.1287 45.4976 0.0000 174.1352 90 S 4.6986 8.1929 116.1849 58.1536 64.5125 173.0594 91 W 5.2752 9.5465 120.7106 55.0793 33.1090 174.6691 92 I 5.1427 8.8761 115.1635 59.5942 41.4713 173.4593 93 S 5.3256 8.3336 114.8957 56.2919 66.3867 175.5481 94 V 3.6472 8.6168 119.3737 63.9761 31.1687 177.4152 95 V 4.1460 7.5380 112.5218 61.5920 32.4055 176.6715 96 S 4.7059 7.9137 114.7434 57.7427 62.9189 174.1894 97 H 4.2475 7.9932 120.9031 58.0669 30.4506 175.0128 98 Y 4.6488 7.8475 114.5615 57.7146 38.3241 175.7401 99 D 4.7564 7.5482 119.6193 51.1726 41.2497 172.5307 100 P 4.5782 0.0000 0.0000 62.3274 32.5313 176.2215 101 V 4.6214 8.6310 114.7219 58.6392 35.2658 175.2268 102 P 4.5894 0.0000 0.0000 65.3541 31.7613 176.8136 103 T 4.4945 7.3404 108.1064 58.4345 73.0516 172.7165 104 P 3.7032 0.0000 0.0000 65.3124 31.0701 178.9956 105 R 2.8847 7.3075 116.9511 58.9476 29.7901 178.2722 106 A 3.7796 7.9779 120.6011 54.9115 18.2116 179.5061 107 A 3.9010 7.7893 119.2378 54.9986 18.4177 179.7468 108 A 3.9572 8.1170 119.4980 55.4502 18.4565 180.0856 109 R 3.3171 8.0635 116.7605 59.1612 29.9665 179.2294 110 A 3.9997 8.2429 120.5288 54.8350 18.2980 179.6291 111 A 3.9647 8.1894 119.8009 55.3341 18.3635 179.9544 112 V 3.6538 8.0865 116.8847 66.2689 31.3849 177.9015 113 D 4.4541 8.2940 117.7666 57.5124 40.7882 178.1369 114 E 4.1137 8.0954 118.5284 59.3117 29.8816 178.5815 115 L 4.1333 8.2440 118.8094 55.2824 41.7657 177.1223 116 Q 3.4681 9.0228 116.8119 56.7914 26.7459 174.8212 117 G 3.9465 8.5312 105.5957 45.0975 0.0000 174.3510 118 A 4.2316 7.6249 122.8963 50.9006 19.0634 175.8339 119 P 4.4059 0.0000 0.0000 62.5080 32.0921 176.0980 120 L 4.3701 8.2674 122.9278 54.4698 43.0145 176.0556 121 L 4.6441 8.1711 124.6168 52.3930 43.2246 174.9894 122 P 4.4454 0.0000 0.0000 62.6808 31.9956 176.3371 123 F 4.4788 8.4832 113.9545 57.2353 38.1138 175.4404 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 40 A 8.26 4.31 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 41 A 8.59 4.13 1.43 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 0.00 0.00 42 P 0.00 4.49 0.00 1.64 1.79 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.10 0.00 43 E 8.43 4.27 0.00 2.02 1.95 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 2.35 2.28 0.00 44 S 8.39 4.84 0.00 3.90 3.86 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 45 F 8.48 5.09 0.00 3.13 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 46 D 8.72 5.06 0.00 2.63 2.58 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 47 E 9.51 4.80 0.00 2.13 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 2.38 2.41 0.00 48 V 8.36 4.78 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 0.81 0.00 0.00 0.97 0.00 0.00 49 Y 9.24 4.61 0.00 3.19 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 50 K 9.28 3.56 0.00 1.52 1.59 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.89 0.21 7.81 51 G 8.23 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 52 R 7.88 4.74 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 53 R 9.04 4.80 0.00 1.98 1.85 0.00 3.38 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 54 I 9.17 5.22 2.16 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 1.00 1.06 0.00 0.00 55 Q 9.09 4.66 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 56 G 7.37 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 0.00 0.00 0.00 57 R 7.83 4.86 0.00 1.65 1.78 0.00 2.71 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 58 P 0.00 4.75 0.00 2.14 2.23 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 59 A 8.95 4.53 0.93 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 *66 H 9.43 4.82 0.00 3.20 3.47 0.00 5.94 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.65 4.61 0.00 1.82 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 2.49 2.50 0.00 68 H 8.66 4.52 0.00 3.29 3.35 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.30 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.03 3.76 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 0.00 0.00 0.00 71 G 8.70 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 72 Y 7.86 5.25 0.00 3.17 2.99 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 0.00 0.00 0.00 73 E 8.76 4.72 0.00 1.76 1.45 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 0.00 2.17 2.15 0.00 74 V 7.98 4.91 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 1.14 0.00 0.00 1.14 0.00 0.00 75 F 9.22 5.31 0.00 2.95 2.87 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 0.00 0.00 0.00 76 V 8.99 4.53 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.02 0.00 0.00 77 D 10.24 4.44 0.00 2.81 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 78 G 8.34 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 0.00 0.00 0.00 79 V 7.72 4.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.04 0.00 0.00 80 Q 8.77 4.10 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.27 1.39 0.00 81 L 8.54 4.77 0.00 1.66 1.53 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.58 3.99 0.00 2.19 2.82 0.00 5.66 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 83 V 7.96 5.07 2.41 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 0.85 0.00 0.00 1.12 0.00 0.00 84 M 9.06 4.73 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 85 R 7.86 3.56 0.00 0.67 1.07 0.00 3.10 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 86 N 8.61 4.68 0.00 2.58 2.57 0.00 0.00 6.67 8.06 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 87 A 8.59 3.88 1.23 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 0.00 0.00 88 D 7.92 4.51 0.00 2.75 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 89 G 8.24 3.86 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 0.00 0.00 0.00 90 S 8.19 4.70 0.00 3.80 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 91 W 9.55 5.28 0.00 3.26 3.11 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 92 I 8.88 5.14 1.85 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.85 0.00 0.00 93 S 8.33 5.33 0.00 4.06 3.99 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 0.00 0.00 0.00 94 V 8.62 3.65 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 0.68 0.00 0.00 0.87 0.00 0.00 95 V 7.54 4.15 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 0.70 0.00 0.00 0.97 0.00 0.00 96 S 7.91 4.71 0.00 3.83 3.70 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 0.00 0.00 0.00 0.00 97 H 7.99 4.25 0.00 2.90 2.60 0.00 5.93 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.85 4.65 0.00 2.99 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 99 D 7.55 4.76 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.58 0.00 2.07 1.94 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 101 V 8.63 4.62 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 0.83 0.00 0.00 0.96 0.00 0.00 102 P 0.00 4.59 0.00 2.16 2.18 0.00 3.71 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 1.94 1.93 0.00 103 T 7.34 4.49 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 1.11 0.00 0.00 104 P 0.00 3.70 0.00 1.84 1.10 0.00 2.92 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.44 0.00 105 R 7.31 2.88 0.00 0.67 1.32 0.00 2.94 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.67 0.00 106 A 7.98 3.78 1.25 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 0.00 0.00 0.00 107 A 7.79 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.12 3.96 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 0.00 109 R 8.06 3.32 0.00 1.54 1.01 0.00 2.72 0.00 0.00 2.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 110 A 8.24 4.00 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 0.00 111 A 8.19 3.96 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.09 3.65 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 1.19 0.00 0.00 1.13 0.00 0.00 113 D 8.29 4.45 0.00 2.97 2.79 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 0.00 0.00 0.00 114 E 8.10 4.11 0.00 2.19 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 2.36 2.75 0.00 115 L 8.24 4.13 0.00 1.79 1.88 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 9.02 3.47 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 117 G 8.53 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 0.00 0.00 0.00 118 A 7.62 4.23 1.29 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 0.00 0.00 119 P 0.00 4.41 0.00 2.08 2.03 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 120 L 8.27 4.37 0.00 1.64 1.62 0.98 1.08 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 0.00 121 L 8.17 4.64 0.00 1.72 1.60 0.95 1.07 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 0.00 122 P 0.00 4.45 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 123 F 8.48 4.48 0.00 3.16 3.02 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 * Residues marked with a * may have inaccurate shift predictions.