NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4136 0.0000 0.0000 62.6497 32.6242 175.6430 3 K 4.5734 8.4896 122.5801 54.6012 35.3043 169.9572 4 V 4.8816 8.4444 114.7503 59.8444 36.2586 174.3179 5 T 5.1206 8.0931 110.3614 60.1814 71.5438 173.7697 6 V 4.8564 8.9555 123.8757 61.5063 34.8007 174.0754 7 S 5.2091 9.2208 125.0753 57.3944 64.7512 173.2349 8 I 5.0009 8.9414 125.8264 59.3214 40.0425 174.4317 9 K 4.7834 9.1898 128.1454 54.5003 35.1103 174.5811 10 V 4.8165 8.5035 126.8830 61.2787 33.6886 175.1962 11 V 4.4609 8.9766 128.0673 60.2471 33.0014 172.4103 12 P 4.8006 0.0000 0.0000 62.3324 32.4469 176.9986 13 A 4.5295 8.7583 125.5824 50.8603 16.6985 176.7313 14 V 4.5438 7.5558 113.4232 58.4764 36.5768 175.4070 15 E 4.1527 8.4568 118.7910 56.0339 30.4089 177.2440 16 D 4.3936 8.9908 119.9045 57.9705 40.8013 179.2127 17 G 3.7158 8.0964 104.0621 46.6523 0.0000 174.5194 18 R 4.4839 8.0695 118.9580 55.9227 30.9710 177.9045 19 L 3.9655 7.5939 121.1271 58.6928 42.1420 178.6081 20 H 4.3657 8.0839 115.4824 58.5429 28.6182 177.5976 21 E 3.8560 8.0689 120.2637 59.3987 29.3950 179.2840 22 V 3.3512 7.3748 117.9537 65.9913 31.4898 178.0856 23 I 3.6460 7.5634 119.0425 64.4580 36.8281 178.0590 24 D 4.2731 8.2925 119.9701 57.4503 40.5692 179.1839 25 R 3.7668 7.7926 118.2919 58.9386 29.8652 178.9383 26 A 3.9776 7.8678 120.5786 55.2128 18.3723 179.7381 27 I 3.3905 7.7804 118.4051 64.4492 36.9458 178.3786 28 E 3.7858 7.9822 118.3295 59.3126 29.5951 179.1238 29 K 3.7961 7.9727 119.4042 59.4961 32.2361 178.7725 30 I 2.0000 7.3661 120.4952 63.6509 36.6179 178.5209 31 S 3.4201 7.2481 114.0469 60.6042 62.7594 175.9890 32 S 4.3210 7.2729 116.1906 59.6619 63.1075 175.1613 33 W 4.3657 7.8015 122.5294 58.1032 29.6622 175.9642 34 G 3.5993 7.9927 105.0746 45.3703 0.0000 173.0388 *36 K 4.3018 7.4293 119.0503 56.5929 34.1378 174.8130 37 Y 5.4504 8.0394 123.0734 55.8947 41.4114 173.6555 38 E 4.4663 9.3431 121.2901 54.5575 33.0305 174.2972 39 V 4.1553 8.6856 127.7132 62.3601 31.2236 175.3445 40 G 4.2254 8.9052 116.7451 42.7252 0.0000 172.0409 41 P 4.4552 0.0000 0.0000 64.5296 31.2721 177.7440 42 S 4.6659 7.1572 108.2022 57.9518 64.6735 172.7989 43 N 4.8283 7.4731 117.0641 52.7236 40.6191 173.0462 44 T 5.0269 8.7790 115.7162 62.1166 71.7234 173.4427 45 T 5.0839 8.9345 123.5027 62.1643 70.6730 174.2199 46 V 5.0093 9.0529 119.8165 59.6099 34.9256 174.2179 47 E 5.0502 8.9656 124.4896 54.1686 31.8116 176.0072 48 G 3.9517 7.9192 113.1691 45.9310 0.0000 170.6376 49 E 4.3780 8.0220 120.1596 55.4841 30.4320 177.5973 50 F 4.3942 9.1676 129.0576 61.6828 39.6291 176.1241 51 E 3.7783 8.5218 118.0002 59.2219 29.7876 177.9777 52 E 3.9397 8.6315 119.6668 59.3633 29.8094 180.2864 53 I 3.6640 7.6043 118.9397 61.4409 36.6518 177.7799 *55 D 4.4310 8.2472 122.1824 54.4682 42.7517 178.3822 56 R 3.4420 7.6198 118.1024 58.8191 29.6287 179.2339 57 V 3.7083 7.8269 118.5344 65.7695 31.3553 178.1539 58 K 3.9653 7.9441 117.7992 59.6129 31.9233 178.9279 59 E 4.0160 7.8824 118.8323 59.2257 29.3424 179.0428 60 L 4.1430 8.4135 120.4750 58.3128 42.0364 178.9185 61 A 4.3176 8.2470 120.5869 55.3021 18.1401 179.5994 62 R 3.9372 7.7086 116.2464 59.6991 30.2081 177.6905 63 Y 4.3087 8.3562 119.4252 60.9405 38.7910 178.2505 64 L 4.0506 8.3748 119.5687 57.2303 40.8486 178.6750 65 E 4.3263 8.3144 121.4275 58.7473 29.1850 178.8756 66 Q 3.8713 7.3337 115.9957 58.2280 28.5822 177.4811 67 F 4.8674 7.5856 118.3606 57.2339 39.8978 176.0173 68 A 4.6068 7.3042 122.2981 50.8708 21.4080 176.8198 69 K 4.2542 8.8060 122.6509 58.2304 32.8713 177.2422 70 R 4.6820 7.8135 119.6352 54.4736 33.2792 173.5680 71 F 5.3704 7.9479 119.4704 55.7008 41.0350 173.5852 72 V 4.1103 8.8735 121.2278 62.3023 32.9150 174.4654 73 L 5.3238 8.6437 128.8339 53.5044 44.6286 175.1562 74 Q 4.8248 9.4333 125.5602 54.0366 31.9764 174.4361 75 L 5.1886 8.6861 123.0288 52.9304 44.5600 175.2857 76 D 4.8777 9.2498 123.7061 52.7532 43.4468 174.3258 77 I 4.9117 8.4511 127.0408 59.6529 39.4949 174.7921 78 D 4.7598 9.1563 127.7546 53.0601 42.5156 174.2317 79 Y 4.3807 8.5802 127.8597 55.5600 40.7465 174.7326 80 K 4.4364 7.9839 126.6662 53.8773 35.1936 174.7109 81 A 4.0141 8.7457 128.9255 54.6291 18.3342 177.4253 82 G 3.8602 8.5151 112.2797 44.6002 0.0000 173.9445 83 G 3.9791 8.5945 106.1476 45.4540 0.0000 172.9498 84 I 4.7296 8.1334 119.5798 58.4411 41.0186 174.7527 85 T 4.7732 8.2868 115.3304 59.0637 73.0386 175.2033 86 I 3.7354 8.7299 122.8782 64.7492 37.1247 178.3639 87 E 3.9465 8.1700 119.3546 59.4726 29.2838 178.5237 88 E 3.9632 7.8894 116.9293 59.0804 29.5099 178.9163 89 K 4.3101 7.5250 116.3345 57.9990 32.8131 178.5583 90 V 4.5431 7.9102 111.3302 61.8229 33.4675 178.1432 91 S 4.1518 8.2649 114.3078 61.1203 62.4828 176.3950 92 K 3.7007 7.8841 122.5960 58.9358 31.9856 176.5358 93 Y 4.7731 7.5429 114.3237 57.5157 38.0452 175.8363 94 R 4.2336 7.6931 124.9203 56.6291 31.3868 174.9419 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 2 P 0.00 4.41 0.00 1.99 2.00 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 3 K 8.49 4.57 0.00 1.80 1.76 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.54 7.81 4 V 8.44 4.88 2.22 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 0.45 0.00 0.00 1.21 0.00 0.00 5 T 8.09 5.12 4.30 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 1.24 0.00 0.00 6 V 8.96 4.86 2.25 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 1.10 0.00 0.00 1.14 0.00 0.00 7 S 9.22 5.21 0.00 3.85 3.80 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 8 I 8.94 5.00 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.98 0.00 0.00 9 K 9.19 4.78 0.00 1.81 1.65 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 10 V 8.50 4.82 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 0.67 0.00 0.00 0.89 0.00 0.00 11 V 8.98 4.46 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 1.05 0.00 0.00 0.97 0.00 0.00 12 P 0.00 4.80 0.00 2.17 2.07 0.00 3.84 0.00 0.00 3.77 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 13 A 8.76 4.53 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 14 V 7.56 4.54 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 0.85 0.00 0.00 0.95 0.00 0.00 15 E 8.46 4.15 0.00 2.14 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 2.37 2.30 0.00 16 D 8.99 4.39 0.00 2.71 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 17 G 8.10 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 18 R 8.07 4.48 0.00 2.00 1.95 0.00 3.15 0.00 0.00 3.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 19 L 7.59 3.97 0.00 1.75 1.77 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.08 4.37 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.07 3.86 0.00 2.11 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 0.00 2.32 2.33 0.00 22 V 7.37 3.35 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 0.94 0.00 0.00 0.92 0.00 0.00 23 I 7.56 3.65 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.86 0.00 0.00 24 D 8.29 4.27 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.79 3.77 0.00 1.58 1.67 0.00 2.67 0.00 0.00 2.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 26 A 7.87 3.98 1.30 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 0.00 0.00 27 I 7.78 3.39 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.81 0.00 0.00 28 E 7.98 3.79 0.00 2.00 1.94 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 2.29 2.32 0.00 29 K 7.97 3.80 0.00 1.48 1.80 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 30 I 7.37 2.00 1.33 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.10 0.08 0.00 0.00 31 S 7.25 3.42 0.00 3.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.27 4.32 0.00 4.06 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 0.00 33 W 7.80 4.37 0.00 3.40 3.18 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 0.00 0.00 0.00 34 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.43 4.30 0.00 1.91 1.78 0.00 1.72 0.00 0.00 2.04 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.41 7.81 37 Y 8.04 5.45 0.00 3.01 2.81 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 0.00 0.00 0.00 38 E 9.34 4.47 0.00 1.97 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 0.00 2.18 2.19 0.00 39 V 8.69 4.16 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 0.81 0.00 0.00 1.05 0.00 0.00 40 G 8.91 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 0.00 0.00 0.00 0.00 41 P 0.00 4.46 0.00 2.05 2.12 0.00 3.62 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 2.02 2.07 0.00 42 S 7.16 4.67 0.00 3.91 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 0.00 43 N 7.47 4.83 0.00 2.96 2.94 0.00 0.00 6.04 7.22 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 44 T 8.78 5.03 4.19 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 0.00 0.00 1.25 0.00 0.00 45 T 8.93 5.08 4.29 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 1.27 0.00 0.00 46 V 9.05 5.01 2.30 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 0.76 0.00 0.00 1.25 0.00 0.00 47 E 8.97 5.05 0.00 2.01 1.86 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 2.24 2.25 0.00 48 G 7.92 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 49 E 8.02 4.38 0.00 2.00 1.84 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 2.41 2.26 0.00 50 F 9.17 4.39 0.00 2.95 3.18 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 0.00 0.00 0.00 51 E 8.52 3.78 0.00 2.21 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 2.34 2.54 0.00 52 E 8.63 3.94 0.00 2.03 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 2.12 2.14 0.00 53 I 7.60 3.66 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.98 0.00 0.00 *55 D 8.25 4.43 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.62 3.44 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.71 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 57 V 7.83 3.71 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 1.11 0.00 0.00 1.10 0.00 0.00 58 K 7.94 3.97 0.00 1.94 1.84 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.48 7.81 59 E 7.88 4.02 0.00 2.10 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 2.32 2.27 0.00 60 L 8.41 4.14 0.00 2.24 2.08 1.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.25 4.32 1.54 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 0.00 0.00 62 R 7.71 3.94 0.00 2.02 2.07 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 63 Y 8.36 4.31 0.00 3.23 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 64 L 8.37 4.05 0.00 1.37 1.16 0.56 0.65 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 65 E 8.31 4.33 0.00 2.15 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 2.32 2.26 0.00 66 Q 7.33 3.87 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 67 F 7.59 4.87 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.30 4.61 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 4.25 0.00 1.79 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.37 7.81 70 R 7.81 4.68 0.00 1.85 1.73 0.00 3.17 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 71 F 7.95 5.37 0.00 3.05 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 72 V 8.87 4.11 2.16 0.00 0.00 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 0.96 0.00 0.00 73 L 8.64 5.32 0.00 2.02 1.68 1.10 0.92 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 74 Q 9.43 4.82 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 75 L 8.69 5.19 0.00 1.58 1.67 1.01 1.10 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 76 D 9.25 4.88 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.45 4.91 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 1.01 0.00 0.00 78 D 9.16 4.76 0.00 2.74 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 79 Y 8.58 4.38 0.00 2.83 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 80 K 7.98 4.44 0.00 1.73 1.50 0.00 1.78 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 81 A 8.75 4.01 1.28 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 0.00 0.00 0.00 82 G 8.52 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 83 G 8.59 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 84 I 8.13 4.73 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.89 0.00 0.00 85 T 8.29 4.77 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 1.23 0.00 0.00 86 I 8.73 3.74 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.93 0.00 0.00 87 E 8.17 3.95 0.00 2.03 1.94 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 2.37 2.40 0.00 88 E 7.89 3.96 0.00 2.17 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 2.35 0.00 89 K 7.53 4.31 0.00 1.97 1.92 0.00 1.77 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.50 7.81 90 V 7.91 4.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.04 0.00 0.00 91 S 8.26 4.15 0.00 4.02 4.18 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 0.00 0.00 0.00 92 K 7.88 3.70 0.00 1.44 1.35 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.96 7.81 93 Y 7.54 4.77 0.00 3.04 2.93 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 94 R 7.69 4.23 0.00 1.76 1.76 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.