NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2860 8.3349 116.7947 58.4843 65.0359 173.9710 5 L 4.0192 8.2741 116.1435 53.7412 37.1949 173.1115 6 K 4.1739 7.7946 115.9433 57.2161 34.7337 177.2888 7 K 4.2210 8.0969 121.1715 56.4804 32.2222 175.4530 8 G 3.9065 9.1519 113.7009 44.4820 0.0000 171.2219 9 V 4.2131 8.0594 115.1780 61.9465 33.0020 175.7606 10 F 4.0117 8.4658 110.5243 57.7924 37.1256 175.5893 11 V 3.3557 7.5305 122.8202 62.2786 31.0648 175.9492 12 D 4.3468 8.5840 123.8107 54.0641 42.1258 177.7135 13 D 4.3924 8.7584 124.5217 57.6541 41.0153 178.4250 14 H 4.1515 8.3081 113.2078 57.7406 28.5037 176.0513 15 L 4.2828 7.3914 122.6288 57.3645 42.4871 177.8345 16 L 3.8666 7.3000 117.4925 57.9284 41.2508 178.9408 17 E 3.8420 8.4734 119.5190 59.3095 29.4099 179.2071 18 K 3.8047 7.6583 119.6058 59.0599 32.5409 179.0045 19 V 4.4154 7.8979 117.2234 63.2951 32.4543 176.5333 20 L 4.5951 7.5571 116.1237 56.1634 45.4360 179.0980 21 E 4.0357 7.7239 116.5101 59.0325 29.6011 178.3176 22 L 4.1078 7.7608 117.9541 57.0963 42.3659 179.0366 23 N 4.0159 8.2500 117.1150 56.1672 39.1165 173.9838 24 A 3.9933 8.0354 123.6633 53.7046 18.0958 177.0773 25 K 3.7379 7.7770 123.2961 63.6533 28.4376 177.7043 26 G 3.8556 7.7009 103.3304 41.0000 0.0000 173.8133 27 E 4.6650 8.3647 126.8410 55.1230 33.4607 176.4148 28 K 4.4622 8.5131 126.0009 57.9867 31.9159 174.1511 29 R 4.5060 8.6446 112.8145 57.8272 35.1696 172.9781 30 L 3.8863 7.9671 120.7494 55.2905 41.3480 175.3108 31 I 4.4849 7.6533 124.4363 58.5789 39.4376 174.2148 32 K 4.3349 8.3655 127.3646 56.1768 33.9660 174.8176 33 T 4.2504 7.0347 114.0876 62.6653 70.6548 173.7153 34 W 5.1983 8.9066 118.0203 57.8565 32.6200 174.9553 35 S 4.9620 9.5080 114.0588 57.7115 62.7179 176.2065 36 R 3.8073 8.3844 120.7778 60.2574 28.8497 178.3922 37 R 4.0758 8.2775 116.3218 58.5749 30.3285 176.8494 38 S 4.4393 8.6665 113.1150 57.5613 64.2490 173.6602 39 T 4.3151 7.5950 117.5736 63.1688 69.4590 175.9152 40 I 4.1086 8.0605 126.2721 58.9597 35.4201 175.4197 41 V 3.5550 7.5132 122.4870 62.0786 32.3281 173.7820 42 P 4.1704 0.0000 0.0000 63.8812 32.1163 175.0194 43 E 4.3219 8.7661 121.4037 56.9276 28.3714 176.3037 44 M 3.8924 7.4736 117.2212 57.9958 32.3134 176.8504 45 V 3.6005 7.0356 111.0404 62.3995 31.9579 174.4395 46 G 3.6890 7.8500 116.8760 44.4167 0.0000 172.9859 47 H 3.7700 6.4677 116.0789 55.6308 29.4423 175.5590 48 T 4.1295 8.1860 115.6920 60.5722 68.7579 174.4371 49 I 3.9536 7.8245 126.8066 60.2803 38.3828 176.3242 50 A 5.0580 7.5551 127.2276 49.2056 17.1027 176.6817 51 V 3.5020 7.5422 122.1689 63.2340 33.3480 176.0200 52 Y 5.0639 7.8746 126.3431 55.8981 40.5735 175.2667 53 N 4.5741 6.9602 115.3153 51.7934 37.0134 176.5392 54 G 4.0843 8.0358 108.8236 46.4186 0.0000 174.8178 55 K 4.2394 6.5191 117.6020 57.4762 34.4753 175.0518 56 Q 4.5469 7.4182 114.4220 55.9453 32.5608 172.8076 57 H 5.1252 8.6939 116.6880 54.6610 29.3853 176.1880 58 V 3.9848 9.1186 120.0091 59.4668 32.2395 173.8791 59 P 4.7993 0.0000 0.0000 63.3348 29.9240 174.4929 60 V 4.2246 8.7255 127.5861 60.9478 33.3563 175.7969 61 Y 4.2284 8.5963 126.5505 57.2345 40.4886 174.3089 62 I 4.3060 6.8041 120.1047 59.5530 40.8078 173.9060 63 T 4.8879 8.3669 123.7799 60.1334 69.6992 173.8692 64 E 4.5240 8.6767 121.5785 56.8797 29.4347 177.0668 65 N 4.7539 8.1000 117.7620 54.2684 40.0646 175.2449 66 M 4.9323 7.4846 116.1240 54.6845 31.3171 177.3443 67 V 3.9958 7.3144 120.4346 66.1051 32.3680 177.5224 68 G 3.7722 7.9671 104.9957 47.0691 0.0000 173.0307 69 H 4.8751 7.7727 117.4649 54.7388 30.6251 175.5311 70 K 5.0192 8.9360 125.2720 56.2285 32.0941 177.6285 71 L 4.9969 8.4269 118.2996 56.3919 44.4060 179.0428 72 G 3.8259 8.1912 107.1995 48.4535 0.0000 174.4273 73 E 3.9584 7.4442 118.3995 56.2891 28.9006 177.7502 74 F 4.7783 7.4277 116.9102 56.1414 40.5099 175.1378 75 A 4.5849 7.7419 117.2943 50.4309 20.2545 174.0817 76 P 4.2506 0.0000 0.0000 62.9541 31.8863 177.9764 77 T 3.9696 8.5199 112.1466 63.6672 69.2690 174.8489 78 R 4.4685 7.6698 119.8715 54.8692 32.0662 175.1393 79 T 4.5083 8.1771 115.1549 62.9506 70.4454 172.8958 80 Y 4.2686 9.2275 128.5829 57.6182 38.7849 169.6278 81 R 3.9197 8.1028 117.8950 55.7705 30.6412 176.9481 *82 G 3.7274 8.4028 106.4007 46.1567 0.0000 172.8074 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 3.89 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 5 L 8.27 4.02 0.00 1.82 2.27 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.79 4.17 0.00 1.88 1.94 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.37 7.81 7 K 8.10 4.22 0.00 1.70 1.79 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.47 7.81 8 G 9.15 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 9 V 8.06 4.21 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 0.87 0.00 0.00 0.90 0.00 0.00 10 F 8.47 4.01 0.00 3.34 3.30 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 0.00 11 V 7.53 3.36 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 0.57 0.00 0.00 0.88 0.00 0.00 12 D 8.58 4.35 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.76 4.39 0.00 2.79 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 14 H 8.31 4.15 0.00 3.34 3.47 0.00 5.51 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 15 L 7.39 4.28 0.00 1.62 1.65 0.88 0.67 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 16 L 7.30 3.87 0.00 1.92 1.67 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.47 3.84 0.00 2.01 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 2.32 2.36 0.00 18 K 7.66 3.80 0.00 2.07 1.95 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.36 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.46 7.81 19 V 7.90 4.42 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 0.85 0.00 0.00 0.93 0.00 0.00 20 L 7.56 4.60 0.00 1.66 1.58 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.72 4.04 0.00 1.76 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 2.33 2.38 0.00 22 L 7.76 4.11 0.00 1.70 1.60 0.89 0.52 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 23 N 8.25 4.02 0.00 2.80 2.84 0.00 0.00 7.11 8.18 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 24 A 8.04 3.99 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 25 K 7.78 3.74 0.00 1.95 2.00 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.42 7.81 26 G 7.70 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 27 E 8.36 4.66 0.00 1.83 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 2.23 2.41 0.00 28 K 8.51 4.46 0.00 1.62 1.84 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.43 7.81 29 R 8.64 4.51 0.00 1.82 1.97 0.00 3.10 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 30 L 7.97 3.89 0.00 1.61 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.65 4.48 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.90 0.00 0.00 32 K 8.37 4.33 0.00 1.49 0.97 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.33 7.81 33 T 7.03 4.25 4.23 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 1.15 0.00 0.00 34 W 8.91 5.20 0.00 3.41 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 35 S 9.51 4.96 0.00 4.07 4.22 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 36 R 8.38 3.81 0.00 2.20 2.37 0.00 3.10 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 37 R 8.28 4.08 0.00 2.00 2.19 0.00 3.33 0.00 0.00 3.58 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 38 S 8.67 4.44 0.00 3.85 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 39 T 7.60 4.32 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 1.23 0.00 0.00 40 I 8.06 4.11 2.22 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 1.18 1.53 0.85 0.00 0.00 41 V 7.51 3.56 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 0.96 0.00 0.00 0.90 0.00 0.00 42 P 0.00 4.17 0.00 2.06 1.98 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 43 E 8.77 4.32 0.00 2.14 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 2.22 2.24 0.00 44 M 7.47 3.89 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 45 V 7.04 3.60 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 0.64 0.00 0.00 0.93 0.00 0.00 46 G 7.85 3.69 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 0.00 0.00 0.00 47 H 6.47 3.77 0.00 3.05 3.21 0.00 5.65 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 48 T 8.19 4.13 4.20 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 1.09 0.00 0.00 49 I 7.82 3.95 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.41 0.90 0.00 0.00 50 A 7.56 5.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 3.50 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 0.97 0.00 0.00 0.98 0.00 0.00 52 Y 7.87 5.06 0.00 2.50 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 53 N 6.96 4.57 0.00 2.75 2.81 0.00 0.00 5.95 7.18 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 54 G 8.04 4.08 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 0.00 0.00 0.00 55 K 6.52 4.24 0.00 1.53 1.58 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.30 7.81 56 Q 7.42 4.55 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.59 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 57 H 8.69 5.13 0.00 3.05 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.12 3.98 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 0.70 0.00 0.00 1.03 0.00 0.00 59 P 0.00 4.80 0.00 2.09 2.12 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 60 V 8.73 4.22 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 0.83 0.00 0.00 0.83 0.00 0.00 61 Y 8.60 4.23 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 6.80 4.31 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.05 0.67 0.00 0.00 63 T 8.37 4.89 4.34 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 1.22 0.00 0.00 64 E 8.68 4.52 0.00 2.12 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 2.29 2.34 0.00 65 N 8.10 4.75 0.00 2.75 2.95 0.00 0.00 6.94 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 7.48 4.93 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 67 V 7.31 4.00 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 1.16 0.00 0.00 0.96 0.00 0.00 68 G 7.97 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.77 4.88 0.00 3.73 3.46 0.00 5.61 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 70 K 8.94 5.02 0.00 1.86 1.96 0.00 1.92 0.00 0.00 1.69 0.00 0.00 3.53 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.73 1.63 7.81 71 L 8.43 5.00 0.00 1.80 1.75 0.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.19 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 0.00 0.00 0.00 73 E 7.44 3.96 0.00 1.38 1.38 0.00 0.00 0.00 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 2.21 0.00 74 F 7.43 4.78 0.00 3.18 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 75 A 7.74 4.58 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 4.25 0.00 2.17 2.08 0.00 3.77 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 1.98 1.97 0.00 77 T 8.52 3.97 4.23 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 1.20 0.00 0.00 78 R 7.67 4.47 0.00 1.84 1.93 0.00 3.16 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 79 T 8.18 4.51 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 80 Y 9.23 4.27 0.00 2.82 3.25 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 81 R 8.10 3.92 0.00 1.81 1.88 0.00 3.51 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 *82 G 8.40 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.