NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1348 8.3349 116.7833 56.8344 64.8622 169.5643 5 L 3.4843 8.0289 128.5984 52.4644 39.5196 172.3939 6 K 4.6807 9.4234 122.1858 56.0576 34.7112 176.4652 7 K 4.5995 8.2200 116.9632 56.0200 34.8857 175.7618 8 G 4.3308 7.7887 107.1277 44.9072 0.0000 173.9899 9 V 4.3160 8.7145 121.3696 63.8483 33.4743 175.0147 10 F 3.8901 8.4925 109.4507 57.6791 37.5102 176.0558 11 V 3.3843 8.5807 124.3541 61.9986 29.7656 175.0417 12 D 4.4040 8.2081 125.2654 53.8467 41.9585 178.5052 13 D 4.1822 8.7993 122.6501 57.5669 41.1761 178.1945 14 H 4.4685 8.2343 110.1081 56.6926 27.7952 176.1239 15 L 4.2402 6.6252 120.2471 55.8083 41.4519 178.1605 16 L 3.8689 7.7426 118.4348 58.3331 42.1252 178.9409 17 E 3.9049 8.2109 118.9803 59.6233 29.3164 178.9091 18 K 4.1150 7.8492 116.1814 58.1725 32.6028 178.0120 19 V 3.8259 8.0040 118.7656 65.4183 31.7843 177.8219 20 L 4.0647 10.6421 118.8233 57.7495 41.6078 179.3360 21 E 3.9934 8.1209 117.4538 59.2098 29.3159 178.8538 22 L 4.0067 7.5088 119.8747 57.5172 41.9170 178.0221 23 N 4.5352 7.9425 116.0250 54.9724 39.4269 174.3756 24 A 3.9828 7.5919 122.5125 53.2628 16.9648 178.4392 25 K 3.7200 9.0997 118.4501 56.4213 30.8433 173.8323 26 G 3.9786 7.7534 112.8830 44.9127 0.0000 173.8076 27 E 4.7484 7.9130 127.2150 55.4769 29.5776 180.0080 28 K 4.5531 8.5435 131.1922 56.8495 31.4109 176.2287 29 R 4.4508 8.7938 118.9841 58.0397 35.1849 174.5487 30 L 3.6942 7.7439 120.2342 54.1437 41.7388 176.0037 31 I 4.4474 8.0097 124.3333 59.9144 41.2697 174.2161 32 K 4.6090 8.3852 128.7376 55.8533 34.0695 175.0594 33 T 4.2928 7.0665 114.3325 61.8135 71.5595 173.1991 34 W 4.9769 9.1939 120.6842 56.4362 30.4407 176.0072 35 S 4.8154 8.2952 114.0138 58.0378 62.5632 175.9817 36 R 4.0039 8.2631 117.9806 59.2243 29.3333 177.5790 37 R 4.4105 7.9311 114.1865 56.6779 30.3583 176.0078 38 S 4.5532 8.6778 115.8627 57.7418 65.8487 173.0923 39 T 4.7939 7.6782 115.9933 62.0933 70.5993 174.5763 40 I 4.1201 8.0994 124.3586 60.6558 38.2335 175.9593 41 V 4.1601 8.1330 126.3638 60.2611 32.8896 173.3050 42 P 4.4019 0.0000 0.0000 64.3981 31.4178 176.2683 43 E 3.9772 8.9945 121.3934 56.6167 28.6227 174.9502 44 M 4.5354 7.6948 116.3944 56.1896 31.5747 176.8616 45 V 4.2593 6.6120 112.5773 61.9125 32.1553 177.5574 46 G 3.6788 8.0140 110.7664 45.7785 0.0000 174.1976 47 H 4.5816 6.7106 117.6130 53.6024 26.1560 173.6937 48 T 3.7977 7.5454 110.6279 62.5509 69.8867 174.2139 49 I 4.8810 8.5533 127.9049 58.0261 38.3524 175.3992 50 A 4.7610 8.4187 129.7996 51.9734 19.2487 176.1334 51 V 4.2528 8.3709 122.4529 61.4868 34.2448 174.3625 52 Y 5.4405 8.3154 127.2240 56.5397 39.4890 174.8844 53 N 4.8336 7.9263 117.6825 51.0199 39.0060 174.4676 54 G 3.8261 6.2137 106.1589 45.4622 0.0000 174.0243 55 K 4.2592 7.2267 118.2040 57.1704 34.2541 175.2533 56 Q 4.5632 7.2808 113.1233 55.8949 32.0974 171.3398 57 H 5.1139 8.6087 116.7144 54.5439 30.4881 175.3921 58 V 3.7775 9.0890 119.2408 60.2498 32.1317 174.7607 59 P 4.9156 0.0000 0.0000 63.0777 28.4799 174.3432 60 V 4.1683 7.6728 126.2294 61.3208 33.5762 176.2390 61 Y 4.7419 8.5606 126.8074 57.6363 40.4838 174.4100 62 I 4.3058 6.5368 120.0376 60.0553 41.2336 173.4104 63 T 4.9439 8.4465 122.8061 60.3133 70.7018 174.6556 64 E 3.6857 8.5717 124.8890 59.5163 30.4010 178.0599 65 N 4.3534 8.3822 116.4770 55.5828 38.6804 174.6690 66 M 4.8042 8.8455 116.3798 53.6631 32.2279 174.3918 67 V 4.4279 7.9047 123.4911 64.0706 37.0752 175.9747 68 G 3.6914 7.9735 105.9300 47.0391 0.0000 172.5363 69 H 4.9753 8.4310 118.9739 54.5079 30.7089 173.8953 70 K 5.3971 8.1923 118.5356 54.0678 34.0443 178.1125 71 L 4.4735 8.6072 122.0146 57.0468 41.3871 180.1545 72 G 3.7151 8.0208 107.5173 47.3481 0.0000 175.3015 73 E 3.6241 7.8164 119.7057 59.3340 29.5519 179.1494 74 F 4.3245 7.8293 114.3495 57.4180 39.3824 175.0808 75 A 4.7178 8.2137 123.5475 49.3669 20.5428 174.2636 76 P 4.5520 0.0000 0.0000 62.1695 32.4270 176.3869 77 T 3.9280 8.6884 114.0425 64.2645 69.1208 175.0636 78 R 4.4952 7.6296 119.2255 54.5418 32.0615 175.2193 79 T 4.5477 8.3480 114.8385 63.5177 71.4775 174.0923 80 Y 3.9491 8.7648 123.5456 58.2708 35.8780 167.7480 81 R 4.1638 7.2367 119.0516 54.9177 32.8026 177.5855 *82 G 3.7274 8.4082 106.7186 46.2969 0.0000 172.7773 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 3.87 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 5 L 8.03 3.48 0.00 2.02 2.07 1.04 0.30 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 6 K 9.42 4.68 0.00 1.82 1.85 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.37 7.81 7 K 8.22 4.60 0.00 1.71 1.85 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.46 7.81 8 G 7.79 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 0.00 0.00 0.00 0.00 9 V 8.71 4.32 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 0.82 0.00 0.00 0.95 0.00 0.00 10 F 8.49 3.89 0.00 3.33 3.33 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 0.00 11 V 8.58 3.38 1.77 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 0.58 0.00 0.00 0.86 0.00 0.00 12 D 8.21 4.40 0.00 2.67 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.80 4.18 0.00 2.74 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 8.23 4.47 0.00 3.30 3.41 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 6.63 4.24 0.00 1.61 1.53 0.90 0.36 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 16 L 7.74 3.87 0.00 1.69 1.72 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.21 3.90 0.00 2.11 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 0.00 2.32 2.36 0.00 18 K 7.85 4.11 0.00 1.92 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.53 7.81 19 V 8.00 3.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.89 0.00 0.00 20 L 10.64 4.06 0.00 1.71 1.68 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.12 3.99 0.00 2.21 2.33 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 2.41 2.29 0.00 22 L 7.51 4.01 0.00 1.93 1.71 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.94 4.54 0.00 2.80 3.13 0.00 0.00 7.16 7.40 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 24 A 7.59 3.98 1.35 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 0.00 0.00 0.00 25 K 9.10 3.72 0.00 2.06 1.96 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 26 G 7.75 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 0.00 0.00 0.00 27 E 7.91 4.75 0.00 1.93 1.27 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 2.22 2.36 0.00 28 K 8.54 4.55 0.00 1.74 1.62 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.37 7.81 29 R 8.79 4.45 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 30 L 7.74 3.69 0.00 1.62 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.01 4.45 1.90 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 1.19 1.09 0.95 0.00 0.00 32 K 8.39 4.61 0.00 1.42 1.08 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.30 7.81 33 T 7.07 4.29 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 1.19 0.00 0.00 34 W 9.19 4.98 0.00 3.35 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 35 S 8.30 4.82 0.00 4.05 4.15 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 36 R 8.26 4.00 0.00 2.10 2.34 0.00 3.07 0.00 0.00 3.50 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 37 R 7.93 4.41 0.00 2.09 2.20 0.00 3.28 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 38 S 8.68 4.55 0.00 3.76 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 7.68 4.79 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 1.22 0.00 0.00 40 I 8.10 4.12 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.79 0.85 0.00 0.00 41 V 8.13 4.16 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 0.86 0.00 0.00 42 P 0.00 4.40 0.00 2.06 1.97 0.00 3.73 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 2.02 2.07 0.00 43 E 8.99 3.98 0.00 2.14 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 0.00 2.22 2.29 0.00 44 M 7.69 4.54 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 45 V 6.61 4.26 1.96 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 0.93 0.00 0.00 0.85 0.00 0.00 46 G 8.01 3.68 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 0.00 0.00 0.00 47 H 6.71 4.58 0.00 3.24 3.16 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 7.55 3.80 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 1.25 0.00 0.00 49 I 8.55 4.88 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.66 0.89 0.00 0.00 50 A 8.42 4.76 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 51 V 8.37 4.25 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 1.06 0.00 0.00 1.02 0.00 0.00 52 Y 8.32 5.44 0.00 2.54 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 53 N 7.93 4.83 0.00 2.77 2.73 0.00 0.00 6.23 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 6.21 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 55 K 7.23 4.26 0.00 1.55 1.63 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.40 7.81 56 Q 7.28 4.56 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 57 H 8.61 5.11 0.00 3.00 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.09 3.78 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 0.66 0.00 0.00 1.02 0.00 0.00 59 P 0.00 4.92 0.00 2.08 2.10 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 60 V 7.67 4.17 2.11 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 0.64 0.00 0.00 0.87 0.00 0.00 61 Y 8.56 4.74 0.00 2.91 2.86 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 62 I 6.54 4.31 1.61 0.00 0.00 0.55 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 0.75 0.71 0.00 0.00 63 T 8.45 4.94 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 64 E 8.57 3.69 0.00 2.13 2.05 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 2.31 2.42 0.00 65 N 8.38 4.35 0.00 2.79 3.03 0.00 0.00 6.78 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 8.85 4.80 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.75 0.00 67 V 7.90 4.43 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 1.06 0.00 0.00 0.98 0.00 0.00 68 G 7.97 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 69 H 8.43 4.98 0.00 3.55 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.19 5.40 0.00 1.86 2.04 0.00 2.04 0.00 0.00 1.98 0.00 0.00 3.35 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.65 7.81 71 L 8.61 4.47 0.00 1.75 1.77 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.02 3.72 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 0.00 0.00 0.00 73 E 7.82 3.62 0.00 1.75 1.68 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 2.30 2.39 0.00 74 F 7.83 4.32 0.00 3.39 3.14 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 0.00 0.00 0.00 0.00 75 A 8.21 4.72 1.27 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 76 P 0.00 4.55 0.00 2.18 2.06 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 1.95 1.94 0.00 77 T 8.69 3.93 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 1.22 0.00 0.00 78 R 7.63 4.50 0.00 1.83 1.94 0.00 3.17 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 1.58 1.64 0.00 79 T 8.35 4.55 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 8.76 3.95 0.00 2.88 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 81 R 7.24 4.16 0.00 1.78 1.82 0.00 3.46 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 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.