NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1196 8.2649 123.5841 51.7049 20.6702 176.4587 2 K 3.4418 7.8646 121.5977 55.5211 29.2750 174.0720 3 Q 3.9416 8.3940 125.2756 59.2803 29.8921 178.0944 4 S 4.1132 8.2034 114.3524 62.2298 62.8073 176.3172 5 M 3.9998 7.9797 122.2773 57.5154 30.3123 178.2490 6 K 3.7962 8.6869 119.9206 59.7679 32.1131 178.3187 7 A 4.2818 8.1765 120.3761 54.3052 18.3265 179.2596 8 R 3.8076 7.6434 117.0461 59.6792 30.4237 177.9296 9 E 4.0147 8.0311 118.3673 59.2890 29.7056 178.5176 10 V 3.6718 7.0893 116.3366 66.2646 31.4798 177.8196 11 K 3.8738 7.7634 117.4908 59.9046 32.0862 179.4917 12 R 3.9689 7.6971 117.4628 59.1895 29.7629 179.1510 13 V 3.5552 7.8592 118.1698 65.6286 31.5548 177.4771 14 A 4.0837 8.0009 119.7940 55.4867 17.9877 178.9768 15 L 3.9155 7.6583 115.3602 58.3690 42.1128 179.2973 16 A 4.9475 7.7573 120.9359 54.8981 18.1633 179.1948 17 D 4.3684 7.9205 116.7152 57.1116 41.1158 178.9533 18 K 4.0769 8.6228 118.1293 56.6541 32.6302 176.7185 19 Y 4.3073 8.3970 113.6493 58.0036 38.2562 177.6771 20 F 4.6020 5.8784 129.3320 61.5910 40.0150 177.5124 21 A 4.0316 7.9554 122.8072 54.9124 18.0608 178.4737 22 K 5.4567 8.3300 111.1551 55.4473 33.1213 177.0480 23 R 4.4828 7.8424 118.1573 57.4548 33.2328 177.3141 24 A 3.8210 8.9733 121.3117 54.8447 18.4897 178.9946 25 E 3.9207 8.6335 114.4278 60.0330 29.0377 179.4702 26 L 3.8110 8.1473 121.4635 58.3830 42.1793 178.1862 27 K 3.7132 8.1805 117.6313 60.8832 31.9151 178.1256 28 A 4.1130 7.9588 124.9850 51.5976 19.1258 178.0223 29 I 4.3318 7.7348 117.3487 60.7281 35.9270 179.5971 30 I 3.5481 8.7640 135.0000 64.4978 36.9173 176.7773 31 S 5.3043 7.9811 115.5480 58.0168 62.8476 172.8818 32 D 4.8158 7.9816 119.2224 51.7942 44.1236 175.7073 33 V 3.8892 8.1740 121.4211 63.4637 31.6792 174.7336 34 N 5.0005 8.8713 125.5092 53.6115 42.1832 175.4944 35 A 4.2894 9.0130 131.3522 54.0837 21.0840 179.1035 *40 R 4.1774 7.5676 114.1957 55.6307 30.9661 176.2023 41 W 5.0001 8.2254 126.8453 54.8188 33.6347 173.5550 42 N 4.3468 8.8356 125.5050 56.7271 38.6160 176.0074 43 A 4.1453 7.7839 121.7694 55.2881 18.7122 179.8959 44 V 3.7551 8.1596 116.9851 64.8296 31.3059 177.9065 45 L 4.1354 8.4857 120.2279 57.0436 42.0038 178.0399 46 K 4.3491 7.7888 116.5370 57.3664 32.8093 178.0416 47 L 4.1763 7.8205 121.7686 57.7760 41.8586 178.3101 48 Q 4.4998 8.3136 116.1919 58.0899 28.5247 177.2272 49 T 4.1663 7.6474 117.3840 63.8997 67.5191 172.8785 50 L 4.6238 7.8230 135.0000 55.3420 44.1174 173.5985 51 P 3.6817 0.0000 0.0000 65.0248 32.0906 176.5109 52 R 3.8421 7.7865 120.1150 56.3407 29.3612 176.5290 53 D 4.5052 8.5169 121.4460 56.4160 41.8663 177.5641 54 S 4.2803 7.5737 113.4566 59.6880 62.6977 173.9055 55 S 4.9145 8.2006 117.2753 58.4288 63.0897 172.7000 56 P 4.4717 0.0000 0.0000 66.0736 31.5124 178.8423 57 S 4.2590 7.8760 114.8657 58.7639 62.0519 174.6115 58 R 4.5107 7.8690 116.8386 55.8138 31.7771 176.0716 59 Q 4.5656 7.7396 115.9211 54.4991 29.9051 175.8928 60 R 4.3836 9.4559 112.4099 55.7913 29.9022 174.7127 61 N 3.8742 8.3548 115.0646 51.6051 37.3785 172.0798 62 R 4.2285 7.2784 122.3045 54.8564 30.3670 175.9641 63 C 4.3482 8.3563 120.5831 59.3708 31.9599 174.0046 64 R 3.9582 8.4185 127.9780 59.8516 29.7230 177.6719 65 Q 4.0969 8.1912 115.2065 58.6083 28.4934 176.7279 66 T 4.1875 8.1382 106.6228 59.7162 70.1426 175.1067 67 G 4.8940 8.3259 126.9442 45.1257 0.0000 171.3562 68 R 3.8981 7.6808 120.9030 55.5690 29.8730 175.3027 69 P 4.3263 0.0000 0.0000 65.5485 33.1814 177.2551 70 H 4.1634 8.8261 115.4137 56.7975 26.7677 176.4777 71 G 4.1964 9.2067 126.1989 46.1503 0.0000 172.9534 72 F 5.5053 8.5649 127.4947 56.2171 43.4106 174.2013 73 L 4.1009 6.8782 122.8494 52.9062 44.1946 177.2278 74 R 3.7123 8.3440 123.9347 59.1760 29.7597 177.8348 75 K 3.5022 7.2095 116.2279 60.0695 32.5132 177.1974 76 F 4.5109 7.0603 116.6543 57.9837 39.2981 177.4053 77 G 3.9045 8.4788 108.9640 45.8442 0.0000 173.0094 78 L 4.7390 7.1562 118.7136 52.2379 44.6940 176.0424 79 S 5.3005 8.5763 113.6837 57.2154 63.7446 175.1986 80 R 3.9655 8.6953 118.9429 60.3272 28.5616 178.5809 81 I 3.7540 7.7683 119.7478 63.6828 37.3210 177.8317 82 K 3.8139 7.7637 118.6719 60.0313 32.0123 178.8592 83 V 3.4734 7.8003 117.8392 66.4177 31.2967 177.8178 84 R 3.8203 7.6375 117.3436 59.4489 29.7815 178.0395 85 E 3.8671 8.0614 117.3074 59.3270 29.8670 178.5160 86 A 4.0436 8.6383 120.5628 55.2719 18.4803 179.1966 87 A 3.7848 8.4766 119.6483 55.9625 17.9830 179.8570 88 M 4.0465 7.6359 115.8727 58.3617 32.1643 178.3470 89 R 4.2582 7.9184 115.3561 55.9702 30.3295 176.8259 90 G 3.8655 7.5331 106.9802 46.6491 0.0000 175.2367 91 E 4.0621 8.2489 121.0833 57.7478 29.9333 177.1233 92 I 4.2398 7.3442 119.8020 58.5590 38.0840 173.6713 93 P 4.2593 0.0000 0.0000 63.7189 31.8581 176.6263 94 G 4.4103 8.7820 108.0768 46.1119 0.0000 172.4298 95 L 4.6557 7.2834 120.9767 52.6013 43.4965 175.7219 96 K 4.4795 8.3827 123.4135 55.0227 35.2423 174.9717 97 K 3.7100 8.7114 118.6951 56.9045 31.8730 176.5052 98 A 4.5485 8.5101 127.2940 51.6636 19.6111 176.3546 99 S 4.6456 8.1618 114.3127 57.4853 65.5735 174.8520 100 W 4.2604 7.9635 118.0612 57.4539 27.1992 174.1676 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 1 A 8.26 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 3.44 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.43 7.81 3 Q 8.39 3.94 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 4 S 8.20 4.11 0.00 4.08 4.14 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 5 M 7.98 4.00 0.00 2.04 2.42 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 6 K 8.69 3.80 0.00 1.88 1.99 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 7 A 8.18 4.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 3.81 0.00 1.99 2.12 0.00 3.26 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 9 E 8.03 4.01 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 2.27 2.33 0.00 10 V 7.09 3.67 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 0.98 0.00 0.00 0.97 0.00 0.00 11 K 7.76 3.87 0.00 1.88 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.64 7.81 12 R 7.70 3.97 0.00 2.02 1.98 0.00 3.11 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 13 V 7.86 3.56 2.28 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 1.06 0.00 0.00 0.99 0.00 0.00 14 A 8.00 4.08 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 15 L 7.66 3.92 0.00 1.61 1.67 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.76 4.95 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.37 0.00 2.77 2.73 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 18 K 8.62 4.08 0.00 1.77 1.92 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.73 7.81 19 Y 8.40 4.31 0.00 3.16 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 0.00 0.00 0.00 0.00 20 F 5.88 4.60 0.00 3.42 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 21 A 7.96 4.03 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 22 K 8.33 5.46 0.00 1.68 1.77 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.46 7.81 23 R 7.84 4.48 0.00 2.07 2.15 0.00 3.29 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 24 A 8.97 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.63 3.92 0.00 2.16 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 0.00 2.49 2.35 0.00 26 L 8.15 3.81 0.00 1.95 1.73 1.05 0.70 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 27 K 8.18 3.71 0.00 2.00 1.92 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.66 1.52 7.81 28 A 7.96 4.11 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 29 I 7.73 4.33 1.96 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 1.49 0.86 0.84 0.00 0.00 30 I 8.76 3.55 1.83 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 1.22 0.53 0.47 0.00 0.00 31 S 7.98 5.30 0.00 4.11 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 32 D 7.98 4.82 0.00 2.60 2.74 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 33 V 8.17 3.89 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 0.87 0.00 0.00 0.95 0.00 0.00 34 N 8.87 5.00 0.00 2.59 2.42 0.00 0.00 7.07 7.35 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 35 A 9.01 4.29 1.03 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 0.00 0.00 *40 R 7.57 4.18 0.00 1.93 2.11 0.00 3.26 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 41 W 8.23 5.00 0.00 3.34 2.90 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 42 N 8.84 4.35 0.00 2.68 2.75 0.00 0.00 7.19 7.96 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 43 A 7.78 4.15 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 44 V 8.16 3.76 2.32 0.00 0.00 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 0.99 0.00 0.00 45 L 8.49 4.14 0.00 1.72 2.01 0.95 0.73 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 46 K 7.79 4.35 0.00 1.96 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.72 7.81 47 L 7.82 4.18 0.00 1.86 1.93 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.31 4.50 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.76 0.00 49 T 7.65 4.17 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 1.22 0.00 0.00 50 L 7.82 4.62 0.00 1.55 1.57 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.68 0.00 1.34 1.13 0.00 4.08 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.34 0.00 52 R 7.79 3.84 0.00 2.03 1.74 0.00 3.24 0.00 0.00 3.35 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 53 D 8.52 4.51 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.57 4.28 0.00 3.34 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 55 S 8.20 4.91 0.00 3.95 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 56 P 0.00 4.47 0.00 2.23 2.34 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 57 S 7.88 4.26 0.00 3.88 3.92 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 0.00 0.00 0.00 58 R 7.87 4.51 0.00 1.95 1.90 0.00 3.32 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 59 Q 7.74 4.57 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.24 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 60 R 9.46 4.38 0.00 1.68 1.84 0.00 3.16 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 61 N 8.35 3.87 0.00 1.80 1.42 0.00 0.00 7.13 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 62 R 7.28 4.23 0.00 1.94 2.02 0.00 3.23 0.00 0.00 2.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 63 C 8.36 4.35 0.00 3.05 3.10 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 0.00 0.00 0.00 64 R 8.42 3.96 0.00 2.07 2.03 0.00 3.41 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 65 Q 8.19 4.10 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 66 T 8.14 4.19 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 1.23 0.00 0.00 67 G 8.33 4.89 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 0.00 0.00 0.00 68 R 7.68 3.90 0.00 1.95 2.03 0.00 3.18 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 69 P 0.00 4.33 0.00 2.07 2.13 0.00 3.78 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 1.95 1.97 0.00 70 H 8.83 4.16 0.00 3.22 2.97 0.00 5.74 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 71 G 9.21 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 0.00 0.00 0.00 0.00 72 F 8.56 5.51 0.00 3.06 2.95 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 73 L 6.88 4.10 0.00 1.27 1.09 0.95 0.77 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 74 R 8.34 3.71 0.00 1.70 2.07 0.00 3.29 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.73 0.00 75 K 7.21 3.50 0.00 1.20 0.74 0.00 1.52 0.00 0.00 1.50 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.63 1.01 7.81 76 F 7.06 4.51 0.00 3.10 2.92 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 0.00 0.00 0.00 77 G 8.48 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 78 L 7.16 4.74 0.00 1.94 1.63 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.58 5.30 0.00 4.11 4.09 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 0.00 0.00 0.00 0.00 80 R 8.70 3.97 0.00 2.09 2.33 0.00 2.99 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 81 I 7.77 3.75 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.58 0.93 0.00 0.00 82 K 7.76 3.81 0.00 1.87 1.91 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.66 7.81 83 V 7.80 3.47 2.28 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 0.94 0.00 0.00 1.11 0.00 0.00 84 R 7.64 3.82 0.00 1.83 2.09 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 85 E 8.06 3.87 0.00 2.00 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 2.33 0.00 86 A 8.64 4.04 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 87 A 8.48 3.78 1.25 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 0.00 0.00 88 M 7.64 4.05 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.91 0.00 89 R 7.92 4.26 0.00 1.88 1.95 0.00 3.23 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 90 G 7.53 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 91 E 8.25 4.06 0.00 1.92 1.98 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 2.29 2.43 0.00 92 I 7.34 4.24 1.63 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.36 0.53 0.00 0.00 93 P 0.00 4.26 0.00 2.22 2.16 0.00 3.81 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 2.08 1.96 0.00 94 G 8.78 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.28 4.66 0.00 1.33 1.42 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.38 4.48 0.00 1.86 1.72 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.48 7.81 97 K 8.71 3.71 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 98 A 8.51 4.55 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.16 4.65 0.00 3.92 3.81 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 0.00 100 W 7.96 4.26 0.00 3.36 3.16 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.