NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1264 8.3344 116.7912 57.9029 64.4526 170.5469 5 L 3.3124 8.1524 128.9343 53.0343 39.6117 171.7416 6 K 4.5371 9.2818 125.6211 56.5079 35.4539 176.9343 7 K 4.2694 7.7507 120.0560 52.8274 30.6606 174.4968 8 G 4.2113 8.0832 109.3626 44.2695 0.0000 171.8938 9 V 4.2869 8.6947 122.2315 67.2814 32.0499 177.7624 10 F 3.9463 7.5399 110.6385 57.6664 36.8702 175.6729 11 V 3.7850 8.0067 122.6094 61.4316 32.5158 176.1282 12 D 4.3720 8.5783 124.6562 54.8829 42.1791 177.3910 13 D 4.4063 8.6156 123.9910 57.4633 40.9792 178.4050 14 H 4.1714 8.2202 113.9633 58.1628 28.4086 176.2449 15 L 4.3552 7.5359 120.8250 56.9019 42.3876 178.0878 16 L 3.8838 7.2706 117.6514 58.4434 41.7380 178.7697 17 E 3.8270 8.5690 118.7476 59.8689 29.3209 178.8554 18 K 3.8700 7.9114 118.2823 59.5073 32.3306 178.6819 19 V 3.3676 8.1086 118.8370 66.3914 31.2697 177.9512 20 L 4.0949 8.3114 118.4406 57.3479 41.3636 179.1281 21 E 3.9775 7.7829 117.6859 59.3812 29.7355 179.0233 22 L 4.1310 8.2363 119.3618 57.6636 41.7798 178.8255 23 N 4.5071 7.9098 116.9042 55.7752 38.9816 173.9828 24 A 4.0030 7.6548 123.7924 53.8493 16.9229 177.0348 25 K 3.9513 8.5391 119.3042 55.6578 29.5678 177.1168 26 G 3.8366 7.3098 103.8632 46.4239 0.0000 172.2781 27 E 5.0052 8.1427 126.8326 54.0702 32.9775 177.7877 28 K 4.4362 8.3886 116.9620 56.8346 31.0102 177.6129 29 R 4.5814 8.3876 115.2291 57.3421 33.4127 174.7166 30 L 3.9974 7.8986 121.5027 55.5657 40.5324 174.3574 31 I 4.4400 7.6197 121.9645 58.3869 40.3249 174.1938 32 K 4.3343 8.5548 128.4101 56.1654 33.2267 175.5108 33 T 4.2050 6.6157 114.4312 61.9571 69.9772 172.3374 34 W 5.1675 8.9759 121.0104 56.6431 31.4047 176.2344 35 S 4.9355 8.7219 113.4970 57.7439 62.4863 175.5968 36 R 4.1585 8.0124 116.4765 58.7596 29.6564 177.6967 37 R 4.4311 7.9681 114.7043 56.3721 30.2633 175.5346 38 S 4.7919 8.1204 114.6549 57.3757 66.2281 173.1246 39 T 4.6491 7.5623 116.3061 62.1059 70.3556 174.6096 40 I 4.0635 7.5021 123.3011 60.6299 38.2199 176.1657 41 V 3.9266 8.1252 126.3277 60.8109 32.4591 173.4096 42 P 4.2294 0.0000 0.0000 64.3620 31.0536 176.4016 43 E 3.8443 8.9827 120.9716 56.9134 28.8358 175.5965 44 M 4.6351 7.8487 118.0029 56.0368 31.4168 177.0748 45 V 3.7759 9.0284 112.5121 61.4904 32.6312 178.7454 46 G 3.8966 7.4917 108.8676 47.1237 0.0000 174.9614 47 H 4.4413 7.9163 118.3552 54.7069 26.6999 173.4745 48 T 4.2102 7.4964 109.3147 61.5644 69.3038 175.1317 49 I 4.3102 8.2773 127.1104 60.2518 39.7486 174.9590 50 A 5.6271 8.3481 126.7277 49.3098 18.7154 176.6576 51 V 3.7451 8.0014 120.8715 63.1553 33.6793 173.6773 52 Y 5.0043 8.2957 125.7287 55.8590 39.7603 175.2232 53 N 4.3945 8.2589 124.1256 53.7368 38.0256 175.4925 54 G 3.2712 6.1513 107.7150 44.8761 0.0000 172.8826 55 K 4.2743 6.8702 118.4480 56.3546 35.3858 175.3640 56 Q 4.8469 8.0593 113.7804 54.2065 32.8001 173.5532 57 H 4.9607 8.7221 116.5797 56.0431 29.9466 175.3501 58 V 4.3188 9.1070 117.1409 58.3804 33.2985 175.1915 59 P 5.1909 0.0000 0.0000 62.6361 28.4003 176.5895 60 V 3.9334 7.8981 122.8169 61.9367 33.1373 177.4191 61 Y 4.5763 8.5578 130.5214 57.8042 38.5908 174.8473 62 I 3.8967 6.8687 117.1692 60.8713 40.3375 173.0631 63 T 4.9172 7.4385 121.2532 60.3134 70.8542 173.6069 64 E 3.9867 8.9697 119.4902 59.6404 29.5087 177.8382 65 N 4.3695 8.3698 116.2383 55.3160 38.6152 174.9337 66 M 4.6937 7.4730 115.1781 53.5554 30.2278 174.5548 67 V 4.1592 7.9977 124.1115 65.0557 33.7917 178.0381 68 G 3.3593 8.0182 106.1717 48.0639 0.0000 173.5451 69 H 4.6041 7.5432 117.9628 55.4646 27.9713 175.5867 70 K 4.5672 8.7623 122.6987 56.0863 32.9902 178.0826 71 L 4.5251 8.4892 119.1796 57.4644 41.3381 179.9953 72 G 3.7410 8.2443 106.1491 47.6704 0.0000 175.1148 73 E 4.2276 7.6218 117.5642 57.5768 29.4705 177.3589 74 F 4.5731 8.1153 115.8882 56.6903 40.3290 175.3000 75 A 4.4618 8.2994 124.6631 48.8175 18.9489 173.3085 76 P 4.1767 0.0000 0.0000 63.9878 31.2166 177.7888 77 T 4.1776 8.3526 112.2937 61.7955 69.2266 173.9614 78 R 4.7418 7.3157 120.0252 54.8381 34.0328 174.2746 79 T 4.5254 8.4218 115.1380 63.4398 70.8881 173.5389 80 Y 3.7090 8.7336 125.2370 58.3003 35.7464 167.7784 81 R 4.1765 7.3033 121.5457 54.1510 32.9909 177.1022 *82 G 3.7274 8.4119 106.7122 46.3169 0.0000 172.7755 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 4.13 0.00 3.88 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 5 L 8.15 3.31 0.00 1.71 1.57 1.07 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.28 4.54 0.00 1.89 1.89 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.37 7.81 7 K 7.75 4.27 0.00 1.76 1.83 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.49 7.81 8 G 8.08 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 0.00 0.00 0.00 9 V 8.69 4.29 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 0.88 0.00 0.00 0.94 0.00 0.00 10 F 7.54 3.95 0.00 3.30 3.31 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 11 V 8.01 3.78 1.90 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 0.63 0.00 0.00 0.87 0.00 0.00 12 D 8.58 4.37 0.00 2.61 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 0.00 0.00 0.00 0.00 13 D 8.62 4.41 0.00 2.80 2.70 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 14 H 8.22 4.17 0.00 3.34 3.45 0.00 5.51 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 15 L 7.54 4.36 0.00 1.74 1.67 0.93 0.61 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 16 L 7.27 3.88 0.00 1.93 1.72 0.92 0.78 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 17 E 8.57 3.83 0.00 2.00 1.92 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 2.44 2.34 0.00 18 K 7.91 3.87 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.53 7.81 19 V 8.11 3.37 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 0.84 0.00 0.00 0.85 0.00 0.00 20 L 8.31 4.09 0.00 1.68 1.67 0.90 0.76 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 21 E 7.78 3.98 0.00 2.08 2.01 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 2.34 2.52 0.00 22 L 8.24 4.13 0.00 1.84 1.80 0.98 0.88 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 23 N 7.91 4.51 0.00 2.78 3.06 0.00 0.00 7.09 9.25 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 24 A 7.65 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 25 K 8.54 3.95 0.00 1.94 2.29 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.32 7.81 26 G 7.31 3.84 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 0.00 0.00 0.00 27 E 8.14 5.01 0.00 1.96 1.91 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 2.24 2.28 0.00 28 K 8.39 4.44 0.00 1.75 1.68 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.40 7.81 29 R 8.39 4.58 0.00 2.01 1.96 0.00 3.11 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 30 L 7.90 4.00 0.00 1.63 1.68 0.93 0.93 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 7.62 4.44 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.57 0.92 0.00 0.00 32 K 8.55 4.33 0.00 1.63 1.28 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.31 7.81 33 T 6.62 4.20 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 1.14 0.00 0.00 34 W 8.98 5.17 0.00 3.36 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 35 S 8.72 4.94 0.00 4.01 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 36 R 8.01 4.16 0.00 2.17 2.30 0.00 3.27 0.00 0.00 3.49 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 37 R 7.97 4.43 0.00 2.07 2.18 0.00 3.29 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 38 S 8.12 4.79 0.00 3.77 4.03 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 0.00 0.00 0.00 0.00 39 T 7.56 4.65 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 1.09 0.00 0.00 40 I 7.50 4.06 2.13 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.87 0.00 0.00 41 V 8.13 3.93 2.01 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 1.02 0.00 0.00 0.84 0.00 0.00 42 P 0.00 4.23 0.00 2.05 1.98 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 43 E 8.98 3.84 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 2.23 2.24 0.00 44 M 7.85 4.64 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 45 V 9.03 3.78 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 0.66 0.00 0.00 0.92 0.00 0.00 46 G 7.49 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 47 H 7.92 4.44 0.00 3.21 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.50 4.21 4.31 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 1.36 0.00 0.00 49 I 8.28 4.31 1.79 0.00 0.00 0.71 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 0.55 0.86 0.00 0.00 50 A 8.35 5.63 1.08 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 51 V 8.00 3.75 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 1.02 0.00 0.00 0.93 0.00 0.00 52 Y 8.30 5.00 0.00 2.66 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 53 N 8.26 4.39 0.00 3.08 2.96 0.00 0.00 6.56 7.27 0.00 0.00 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 6.15 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.87 4.27 0.00 1.56 1.54 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.35 7.81 56 Q 8.06 4.85 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 57 H 8.72 4.96 0.00 3.04 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.11 4.32 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 0.80 0.00 0.00 0.98 0.00 0.00 59 P 0.00 5.19 0.00 2.10 2.12 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 2.01 1.98 0.00 60 V 7.90 3.93 2.15 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 0.75 0.00 0.00 0.89 0.00 0.00 61 Y 8.56 4.58 0.00 2.88 2.80 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 62 I 6.87 3.90 1.59 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.55 0.00 0.00 63 T 7.44 4.92 4.45 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 1.35 0.00 0.00 64 E 8.97 3.99 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 2.31 2.37 0.00 65 N 8.37 4.37 0.00 2.79 3.02 0.00 0.00 6.79 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 7.47 4.69 0.00 2.38 2.03 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 67 V 8.00 4.16 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 0.97 0.00 0.00 1.01 0.00 0.00 68 G 8.02 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.60 0.00 3.47 3.54 0.00 5.62 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 8.76 4.57 0.00 1.96 2.04 0.00 2.10 0.00 0.00 1.76 0.00 0.00 3.29 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.83 1.76 7.81 71 L 8.49 4.53 0.00 1.76 1.74 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.24 3.74 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 0.00 0.00 0.00 73 E 7.62 4.23 0.00 2.38 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 74 F 8.12 4.57 0.00 3.15 3.06 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 0.00 0.00 0.00 75 A 8.30 4.46 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 4.18 0.00 2.20 2.21 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 77 T 8.35 4.18 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 1.31 0.00 0.00 78 R 7.32 4.74 0.00 1.66 1.85 0.00 3.12 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 79 T 8.42 4.53 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 80 Y 8.73 3.71 0.00 2.97 3.23 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 81 R 7.30 4.18 0.00 1.75 1.79 0.00 3.43 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 *82 G 8.41 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.