NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2940 8.3349 116.7825 58.3576 64.9541 170.5503 5 L 3.8355 8.5136 124.9956 52.6196 41.2344 173.0937 6 K 4.6736 9.2679 119.8307 56.5801 36.5619 176.5380 7 K 4.3218 8.3064 118.4076 57.3119 33.4247 175.7982 8 G 4.5124 7.7451 106.7612 44.0622 0.0000 171.9101 9 V 4.3351 8.0731 115.6823 61.1995 33.0925 176.6898 10 F 4.1118 8.4762 111.7260 57.8755 36.8371 175.1723 11 V 3.6534 7.0237 119.9172 61.1409 32.0177 175.8014 12 D 4.4126 8.4916 124.1487 54.8298 41.1963 176.1100 13 D 4.7505 8.5609 122.7506 54.7777 41.0155 176.5350 14 H 4.9115 7.9127 112.1216 55.4742 28.7959 174.8714 15 L 4.4748 7.5808 121.2674 57.0924 42.5488 178.7843 16 L 4.0588 7.6948 118.1606 57.4382 41.0254 178.8564 17 E 4.0252 8.1320 118.9894 58.0383 29.5542 177.2309 18 K 4.2461 7.8110 116.4309 56.1641 32.4492 176.2337 19 V 4.3021 7.4316 114.6750 62.5680 32.7054 176.1588 20 L 4.1694 7.7064 118.0653 55.8572 42.7783 177.3672 21 E 4.3080 7.6297 117.2856 57.1312 30.1697 177.1374 22 L 4.3473 7.6207 120.2367 55.8922 42.3961 176.4365 23 N 4.6985 7.3070 114.5476 54.0872 40.3145 175.4899 24 A 4.2534 6.9500 122.5974 50.9088 16.6465 175.6195 25 K 4.1827 8.0353 119.8570 54.5377 31.2031 177.0772 26 G 4.3863 7.7918 104.4111 45.5107 0.0000 173.9046 27 E 4.4674 7.4338 123.6310 55.9567 30.3023 177.4944 28 K 4.4413 8.3895 124.1017 57.4869 32.4513 176.5348 29 R 4.5728 8.2894 112.6658 56.8754 32.4786 174.9261 30 L 4.0637 7.8918 120.1742 55.3833 40.9700 174.7763 31 I 4.6490 7.9942 122.2704 58.8818 41.2559 173.8845 32 K 4.9700 8.5971 127.8139 55.3037 34.5636 175.2273 33 T 4.7278 8.1188 115.5877 60.6348 71.4673 173.5468 34 W 4.8248 9.1236 124.4799 56.8086 30.2749 177.1871 35 S 4.8342 7.6639 112.1226 57.0464 61.3934 173.5761 36 R 4.5127 8.0143 116.8304 56.8544 29.8951 177.9120 37 R 4.6408 8.0559 112.6348 56.1973 30.0646 175.1618 38 S 4.8120 7.7657 113.2492 57.0469 66.5963 172.7319 39 T 4.4820 7.5666 117.0019 62.1507 69.4703 175.1370 40 I 3.7746 8.0381 126.9858 61.5903 37.9059 175.7120 41 V 4.2282 8.1101 125.2281 60.1711 33.1315 173.4790 42 P 4.2640 0.0000 0.0000 64.2695 31.7816 175.4189 43 E 4.2296 8.9612 121.1599 56.7212 28.9349 176.1786 44 M 4.3750 7.7231 115.9692 55.7963 31.9457 176.3051 45 V 3.7121 7.0438 113.7882 63.3796 32.0742 174.4243 46 G 4.0191 8.7936 113.5596 46.3327 0.0000 174.4466 47 H 4.5352 7.2978 117.3255 54.3916 25.9553 174.0707 48 T 3.7318 7.7453 111.2993 62.5217 69.7482 173.7038 49 I 4.7530 7.6250 126.9323 59.3874 39.3852 175.0430 50 A 4.8496 8.9444 129.6762 50.6095 20.0104 176.2594 51 V 4.7178 8.2939 121.9741 61.0812 35.1173 173.5109 52 Y 5.0371 8.3851 128.7649 56.1364 39.0596 174.8396 53 N 4.7067 8.3051 122.6810 51.8619 38.4615 174.4496 54 G 3.8676 6.9923 108.0864 45.5566 0.0000 173.5132 55 K 4.3000 6.7682 118.7580 56.4262 35.4331 178.1521 56 Q 4.4875 6.9338 120.1332 55.6962 32.6252 173.2651 57 H 5.2055 8.8226 115.5010 54.1204 31.8151 174.0229 58 V 4.0821 8.4176 118.0977 58.6383 32.1684 176.0920 59 P 5.0630 0.0000 0.0000 62.3120 28.3355 177.6157 60 V 3.8326 7.5781 120.2146 62.7683 32.9837 176.0899 61 Y 4.3795 8.6778 126.1927 57.3244 39.9078 174.0827 62 I 4.1783 7.2697 125.7871 59.5120 40.9459 174.1498 63 T 4.6039 7.8882 123.1286 59.9803 70.7016 173.3462 64 E 3.9675 8.8521 118.6019 59.4333 29.6690 177.6238 65 N 4.2346 8.2894 116.1624 55.4964 38.6262 174.1992 66 M 4.6435 7.6367 115.5835 53.6726 31.4593 174.4972 67 V 4.1778 8.3318 121.4545 64.4105 33.5092 177.8605 68 G 3.3690 8.0859 106.0725 47.8805 0.0000 173.3732 69 H 4.6199 7.7387 117.4021 55.4337 29.6809 174.7690 70 K 5.0119 8.2863 119.5027 54.5988 33.3523 177.9751 71 L 4.4358 8.5385 119.7701 56.3538 41.7167 178.4699 72 G 3.9082 8.0003 107.4133 47.4075 0.0000 175.2449 73 E 3.9737 8.0817 119.0906 58.9674 29.4233 177.4753 74 F 4.5846 8.1046 115.4249 56.8880 39.4408 176.0615 75 A 4.4032 7.7585 124.8951 49.8958 20.0205 175.0419 76 P 4.2729 0.0000 0.0000 64.4393 31.5336 176.7727 77 T 4.3803 8.3836 110.3933 61.8318 69.8519 174.6391 78 R 4.7016 7.4701 119.8675 54.7611 34.1640 174.5614 79 T 4.2346 8.3262 117.1794 64.2099 70.1475 173.3400 80 Y 3.3262 8.4411 122.8401 58.0574 35.7103 168.6929 81 R 4.2450 7.3273 119.5718 54.9275 32.4021 177.4890 *82 G 3.7274 8.4328 107.8393 46.0013 0.0000 172.8447 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 4 S 8.33 4.29 0.00 3.86 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 5 L 8.51 3.84 0.00 1.93 1.89 1.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.27 4.67 0.00 1.82 1.86 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.41 7.81 7 K 8.31 4.32 0.00 1.76 1.91 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.49 7.81 8 G 7.75 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 0.00 0.00 0.00 0.00 9 V 8.07 4.34 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 0.88 0.00 0.00 0.92 0.00 0.00 10 F 8.48 4.11 0.00 3.30 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 11 V 7.02 3.65 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.86 0.00 0.00 12 D 8.49 4.41 0.00 2.63 2.37 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 13 D 8.56 4.75 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.91 4.91 0.00 3.26 3.37 0.00 5.50 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.58 4.47 0.00 1.75 1.68 0.93 0.52 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 16 L 7.69 4.06 0.00 1.70 1.69 0.91 0.84 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 17 E 8.13 4.03 0.00 2.15 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 2.37 2.36 0.00 18 K 7.81 4.25 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.53 7.81 19 V 7.43 4.30 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 0.82 0.00 0.00 0.93 0.00 0.00 20 L 7.71 4.17 0.00 1.70 1.67 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.63 4.31 0.00 2.35 2.18 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 2.22 2.28 0.00 22 L 7.62 4.35 0.00 1.78 1.53 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.31 4.70 0.00 2.63 2.95 0.00 0.00 7.13 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 24 A 6.95 4.25 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 25 K 8.04 4.18 0.00 2.02 2.26 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.38 7.81 26 G 7.79 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.43 4.47 0.00 1.96 1.81 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 2.32 2.40 0.00 28 K 8.39 4.44 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.29 4.57 0.00 1.93 2.02 0.00 3.11 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 30 L 7.89 4.06 0.00 1.63 1.67 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.99 4.65 1.86 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 1.22 1.38 0.98 0.00 0.00 32 K 8.60 4.97 0.00 1.50 1.20 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.31 7.81 33 T 8.12 4.73 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 34 W 9.12 4.82 0.00 3.38 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 35 S 7.66 4.83 0.00 3.99 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 36 R 8.01 4.51 0.00 2.08 2.13 0.00 3.38 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 37 R 8.06 4.64 0.00 2.05 2.14 0.00 3.26 0.00 0.00 3.51 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 38 S 7.77 4.81 0.00 3.75 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 39 T 7.57 4.48 3.91 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 0.00 0.00 1.21 0.00 0.00 40 I 8.04 3.77 2.04 0.00 0.00 0.69 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 0.68 0.86 0.00 0.00 41 V 8.11 4.23 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 0.98 0.00 0.00 0.85 0.00 0.00 42 P 0.00 4.26 0.00 2.06 1.96 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 43 E 8.96 4.23 0.00 2.04 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 0.00 2.22 2.26 0.00 44 M 7.72 4.38 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 45 V 7.04 3.71 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 0.58 0.00 0.00 0.94 0.00 0.00 46 G 8.79 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 47 H 7.30 4.54 0.00 3.27 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.75 3.73 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 1.31 0.00 0.00 49 I 7.62 4.75 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.88 0.00 0.00 50 A 8.94 4.85 1.21 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 0.00 0.00 51 V 8.29 4.72 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 1.09 0.00 0.00 0.94 0.00 0.00 52 Y 8.39 5.04 0.00 2.34 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.71 0.00 2.88 2.80 0.00 0.00 6.36 7.00 0.00 0.00 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 G 6.99 3.87 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 0.00 0.00 0.00 55 K 6.77 4.30 0.00 1.57 1.50 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.38 7.81 56 Q 6.93 4.49 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 57 H 8.82 5.21 0.00 2.99 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.42 4.08 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 0.98 0.00 0.00 1.02 0.00 0.00 59 P 0.00 5.06 0.00 2.09 2.13 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 60 V 7.58 3.83 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 0.84 0.00 0.00 0.98 0.00 0.00 61 Y 8.68 4.38 0.00 2.96 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 62 I 7.27 4.18 1.61 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.79 0.65 0.00 0.00 63 T 7.89 4.60 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 1.33 0.00 0.00 64 E 8.85 3.97 0.00 2.11 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 2.28 2.34 0.00 65 N 8.29 4.23 0.00 2.74 3.01 0.00 0.00 6.73 7.66 0.00 0.00 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 M 7.64 4.64 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.54 0.00 67 V 8.33 4.18 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 1.04 0.00 0.00 0.95 0.00 0.00 68 G 8.09 3.37 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 0.00 69 H 7.74 4.62 0.00 3.53 3.59 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.29 5.01 0.00 1.90 1.93 0.00 2.33 0.00 0.00 2.03 0.00 0.00 3.32 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.50 7.81 71 L 8.54 4.44 0.00 1.83 1.78 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.00 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.08 3.97 0.00 1.63 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 2.30 2.32 0.00 74 F 8.10 4.58 0.00 3.02 3.08 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 0.00 0.00 0.00 75 A 7.76 4.40 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.16 2.06 0.00 3.74 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 1.96 1.95 0.00 77 T 8.38 4.38 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 1.21 0.00 0.00 78 R 7.47 4.70 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 79 T 8.33 4.23 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 80 Y 8.44 3.33 0.00 3.05 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 81 R 7.33 4.25 0.00 1.77 1.77 0.00 3.46 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 *82 G 8.43 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 * Residues marked with a * may have inaccurate shift predictions.