NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2300 8.2993 120.0017 56.9635 33.8204 175.5721 12 F 4.5966 8.3763 114.7733 54.7469 36.3816 174.1906 13 R 3.8472 7.6821 128.3487 53.7890 30.8367 178.7742 14 V 3.1718 7.3247 123.1968 58.7132 31.8605 173.0289 15 R 3.4862 7.6955 115.9155 56.6379 27.9615 175.8282 16 N 4.2937 7.5204 118.2891 55.6729 39.3217 176.2928 17 R 4.1130 7.3104 113.5164 56.2502 30.8913 175.0833 18 I 3.7055 8.3835 119.9750 61.8272 35.3955 174.5139 19 K 4.2309 7.3048 117.4243 56.4150 31.6467 176.3670 20 R 4.4512 7.8405 116.8647 54.8440 29.9792 175.7785 21 T 4.4901 8.5083 119.1785 63.1205 71.3755 175.2218 22 G 4.0421 7.8337 110.1563 44.6822 0.0000 171.8217 23 R 3.9134 8.2392 119.6839 56.3257 30.1099 174.6923 24 L 3.5813 8.1484 124.1136 54.8288 38.3047 172.1615 25 R 4.3728 8.9573 123.8652 54.8157 31.5231 175.1406 26 L 4.8388 8.6127 129.8773 54.1327 41.5232 174.5869 27 S 4.3568 8.7909 119.9692 58.6422 64.1545 172.4926 28 V 3.9405 8.8446 122.8022 60.8678 31.8742 174.0247 29 F 4.0370 9.3904 129.7846 58.5898 38.9249 172.9056 30 R 4.4986 8.8047 128.9017 54.3113 30.2653 175.3982 31 S 4.5193 8.0677 118.9245 57.7010 62.9397 174.5327 32 L 4.2538 8.5598 124.0667 56.7482 41.7105 177.7202 33 K 4.4721 8.2984 115.5457 57.9572 34.5699 175.4461 34 H 5.0491 7.3912 117.2704 55.4123 32.0620 173.3552 35 I 4.2223 7.3773 117.3375 61.9027 40.5103 174.5722 36 Y 4.7523 8.6627 127.0586 56.7074 41.0805 175.3907 37 A 5.1446 8.3235 118.4211 52.8176 22.8054 175.8252 38 Q 4.8505 8.7189 121.7052 55.1164 31.8882 175.3064 39 I 4.5409 8.9030 123.4027 60.1878 38.9726 174.5393 40 I 4.7708 8.9418 129.2555 59.4812 39.8718 174.6274 41 D 4.9673 8.6467 127.1003 53.2073 42.1952 175.7934 42 D 5.0173 8.4461 127.2412 54.0051 43.0889 176.7159 43 E 4.1174 8.8917 118.7090 57.7437 28.4913 175.6014 44 K 4.4126 7.7624 114.5073 55.5727 34.1654 177.0874 45 G 3.9091 8.1663 105.6203 46.2954 0.0000 173.4910 46 V 4.5236 7.8109 119.2407 61.6026 35.5748 173.4633 47 T 4.9186 8.3003 119.5730 61.8252 71.2454 173.9841 48 L 4.6135 8.4879 123.9480 55.5195 44.1828 177.4687 49 V 4.6748 7.4740 117.2127 61.2041 34.9501 174.2098 50 S 5.3484 8.4762 120.5961 56.8988 66.5865 173.0592 51 A 4.5805 8.2798 118.7213 51.3610 22.9621 175.7728 52 S 4.8528 8.6064 116.4887 55.6572 66.7476 174.7583 53 S 4.6752 7.6237 119.2468 57.4466 60.3612 177.0908 54 L 4.6158 8.6474 115.8461 56.7603 41.1791 177.7228 55 A 4.6132 7.7940 119.6658 52.1710 18.4106 177.3772 56 L 4.6409 9.9679 122.6586 56.3026 45.6703 174.2442 57 K 4.4781 8.3225 118.8394 53.4930 31.4523 176.3893 58 L 3.7302 8.7185 119.9912 53.6126 42.5338 175.0981 59 K 4.2643 8.3735 118.7925 56.3748 31.4391 176.8319 60 G 3.9810 8.4773 107.2897 45.8893 0.0000 172.2100 61 N 4.7532 7.8118 117.9756 52.4908 41.3615 172.8655 62 K 4.4198 8.2132 113.5324 58.0812 34.1900 179.1483 63 T 4.1997 7.8674 107.0135 64.0687 69.0276 175.8188 64 E 4.1663 7.9394 121.3434 58.8288 30.0009 178.3564 65 V 3.6040 7.7109 117.4706 64.7920 31.4223 175.6484 66 A 4.0603 7.7270 121.6472 53.6113 18.4431 175.3251 67 R 4.3424 9.0795 126.6754 57.4423 28.0278 177.0190 68 Q 4.1301 8.4069 117.0686 58.8310 28.6467 179.8799 69 V 3.6776 7.9505 120.4015 64.7106 31.5535 178.3945 70 G 3.7506 8.0862 106.6173 47.5903 0.0000 174.9770 71 R 3.8921 8.3182 121.1954 59.0150 30.1518 178.4462 72 A 3.9763 7.8516 119.5414 55.5353 18.3947 178.8671 73 L 3.8048 8.3825 118.3852 58.6852 41.9676 178.7862 74 A 4.0236 8.4884 120.4715 55.7389 18.3449 179.1208 75 E 4.0080 8.2748 116.6407 59.4866 29.3343 179.4396 76 K 3.8670 8.0119 117.8625 60.1779 32.5585 178.3750 77 A 3.7688 8.9687 119.0063 54.7445 17.9447 179.4293 78 L 3.9301 8.3544 116.3652 57.1218 42.3221 179.5065 79 A 4.1838 7.6545 118.6267 53.8464 18.7598 177.1733 80 L 4.7260 8.5743 118.2624 55.1248 40.6543 177.5338 81 G 3.9469 8.4365 108.6487 46.5521 0.0000 173.9704 82 I 3.7673 7.5330 119.4141 61.7345 37.0203 174.0072 83 K 4.3982 8.5038 123.9013 57.8553 34.2282 175.7514 84 Q 4.5084 7.8514 117.0823 56.0468 29.8539 175.9978 85 V 4.5222 7.7289 112.4297 61.1201 36.3950 171.3652 86 A 4.8906 8.3025 122.0357 51.0105 22.2518 177.7539 87 F 4.9082 8.9627 125.5229 60.2419 41.5256 174.3004 88 D 4.3842 8.7678 121.6726 55.3159 41.2280 181.5964 89 R 3.2844 6.1843 117.8514 57.4514 30.0540 175.2858 90 G 3.1504 8.2377 110.2987 46.5962 0.0000 172.3379 91 P 4.2439 0.0000 0.0000 64.7344 32.3829 180.6213 92 Y 3.7121 8.7257 117.6007 59.9647 40.1180 175.9909 93 K 3.5666 9.0019 117.8276 57.6209 31.4100 176.5405 94 Y 3.7596 6.1780 113.7260 58.6229 35.9051 173.5217 95 H 4.4639 7.8303 127.9032 56.6542 32.2649 173.3903 96 G 2.8776 7.4882 98.8572 45.2489 0.0000 174.3872 97 R 3.6965 8.0954 116.3148 56.4989 30.0439 176.9612 98 V 3.8754 7.7313 118.6960 62.4485 34.5868 172.6803 99 K 4.2843 8.2874 129.3131 54.8394 30.7158 178.1203 100 A 4.2443 7.3072 122.4219 52.2499 16.7493 175.6780 101 L 4.6059 7.6781 120.1551 52.4577 45.5527 176.5227 102 A 4.1920 8.4325 127.2254 52.8103 19.0666 176.3749 103 E 3.6973 9.2711 119.2535 57.4403 27.0051 176.3828 104 G 3.7128 8.7889 109.2526 46.2287 0.0000 173.6691 105 A 4.2835 9.0547 124.0056 52.1148 18.9482 179.5127 106 R 4.4129 7.9345 115.7879 56.7387 30.2661 173.6217 107 E 3.6648 8.8479 122.6033 56.3481 30.6808 174.2998 108 G 3.8328 8.7478 111.1836 45.5450 0.0000 173.8729 *109 G 3.7078 7.7819 112.9539 45.7669 0.0000 172.7720 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 11 K 8.30 4.23 0.00 1.96 1.95 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.41 7.81 12 F 8.38 4.60 0.00 3.14 2.99 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 0.00 0.00 0.00 13 R 7.68 3.85 0.00 1.82 1.83 0.00 3.31 0.00 0.00 3.29 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 14 V 7.32 3.17 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 0.45 0.00 0.00 0.86 0.00 0.00 15 R 7.70 3.49 0.00 1.81 1.97 0.00 3.30 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 16 N 7.52 4.29 0.00 2.36 2.53 0.00 0.00 6.75 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 17 R 7.31 4.11 0.00 1.83 1.85 0.00 2.98 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 18 I 8.38 3.71 1.81 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 1.26 0.24 0.87 0.00 0.00 19 K 7.30 4.23 0.00 1.78 2.05 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.38 7.81 20 R 7.84 4.45 0.00 1.79 1.85 0.00 3.33 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 21 T 8.51 4.49 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 22 G 7.83 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 0.00 0.00 0.00 23 R 8.24 3.91 0.00 1.99 1.99 0.00 3.34 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 24 L 8.15 3.58 0.00 1.86 1.75 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.96 4.37 0.00 1.81 1.87 0.00 3.10 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 26 L 8.61 4.84 0.00 1.94 1.72 1.26 0.88 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 27 S 8.79 4.36 0.00 3.85 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 28 V 8.84 3.94 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 0.96 0.00 0.00 0.99 0.00 0.00 29 F 9.39 4.04 0.00 3.20 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 30 R 8.80 4.50 0.00 1.91 2.02 0.00 3.52 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 31 S 8.07 4.52 0.00 3.86 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 32 L 8.56 4.25 0.00 1.70 1.75 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.30 4.47 0.00 1.75 1.97 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.55 7.81 34 H 7.39 5.05 0.00 2.57 2.80 0.00 5.95 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.38 4.22 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.85 0.00 0.00 36 Y 8.66 4.75 0.00 2.81 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 37 A 8.32 5.14 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 38 Q 8.72 4.85 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 39 I 8.90 4.54 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 0.94 0.00 0.00 40 I 8.94 4.77 1.86 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 1.12 0.62 0.98 0.00 0.00 41 D 8.65 4.97 0.00 2.84 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 42 D 8.45 5.02 0.00 2.67 2.61 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 43 E 8.89 4.12 0.00 2.12 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 0.00 2.19 2.31 0.00 44 K 7.76 4.41 0.00 1.80 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.39 7.81 45 G 8.17 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 46 V 7.81 4.52 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 0.97 0.00 0.00 1.01 0.00 0.00 47 T 8.30 4.92 4.25 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 1.31 0.00 0.00 48 L 8.49 4.61 0.00 1.61 1.68 0.97 0.88 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 49 V 7.47 4.67 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 0.89 0.00 0.00 0.95 0.00 0.00 50 S 8.48 5.35 0.00 3.91 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 51 A 8.28 4.58 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 52 S 8.61 4.85 0.00 3.68 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 53 S 7.62 4.68 0.00 3.89 2.99 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 0.00 0.00 0.00 54 L 8.65 4.62 0.00 0.72 1.44 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.79 4.61 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 56 L 9.97 4.64 0.00 1.54 1.90 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.32 4.48 0.00 1.85 1.00 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.10 7.81 58 L 8.72 3.73 0.00 1.72 1.53 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.37 4.26 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.43 7.81 60 G 8.48 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 61 N 7.81 4.75 0.00 2.65 2.83 0.00 0.00 6.83 6.68 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 62 K 8.21 4.42 0.00 1.91 1.74 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.31 7.81 63 T 7.87 4.20 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 1.17 0.00 0.00 64 E 7.94 4.17 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 65 V 7.71 3.60 2.24 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 0.97 0.00 0.00 0.94 0.00 0.00 66 A 7.73 4.06 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 67 R 9.08 4.34 0.00 1.89 2.46 0.00 3.18 0.00 0.00 3.31 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 68 Q 8.41 4.13 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 69 V 7.95 3.68 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 0.94 0.00 0.00 0.94 0.00 0.00 70 G 8.09 3.75 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 0.00 0.00 0.00 71 R 8.32 3.89 0.00 1.97 2.02 0.00 3.31 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 72 A 7.85 3.98 1.41 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 73 L 8.38 3.80 0.00 1.90 1.81 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.49 4.02 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 75 E 8.27 4.01 0.00 2.27 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 2.34 2.49 0.00 76 K 8.01 3.87 0.00 1.91 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 77 A 8.97 3.77 1.36 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 78 L 8.35 3.93 0.00 1.67 1.76 0.96 0.68 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 79 A 7.65 4.18 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 80 L 8.57 4.73 0.00 1.64 1.68 1.01 0.19 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 81 G 8.44 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 82 I 7.53 3.77 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.93 0.00 0.00 83 K 8.50 4.40 0.00 1.74 1.73 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 84 Q 7.85 4.51 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.43 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 V 7.73 4.52 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 0.74 0.00 0.00 1.02 0.00 0.00 86 A 8.30 4.89 1.20 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 87 F 8.96 4.91 0.00 3.07 3.12 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 0.00 0.00 0.00 0.00 88 D 8.77 4.38 0.00 2.64 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 6.18 3.28 0.00 1.87 2.24 0.00 3.29 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 90 G 8.24 3.15 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 0.00 91 P 0.00 4.24 0.00 2.27 1.99 0.00 3.29 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.20 0.00 92 Y 8.73 3.71 0.00 3.34 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 93 K 9.00 3.57 0.00 2.02 1.93 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.42 7.81 94 Y 6.18 3.76 0.00 2.74 2.77 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 95 H 7.83 4.46 0.00 3.18 2.98 0.00 5.81 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 96 G 7.49 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 0.00 0.00 0.00 97 R 8.10 3.70 0.00 1.96 2.05 0.00 3.20 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 98 V 7.73 3.88 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 0.55 0.00 0.00 0.12 0.00 0.00 99 K 8.29 4.28 0.00 1.72 1.75 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.45 7.81 100 A 7.31 4.24 1.20 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 0.00 101 L 7.68 4.61 0.00 1.46 1.71 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.43 4.19 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 0.00 103 E 9.27 3.70 0.00 2.17 1.93 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 2.19 2.24 0.00 104 G 8.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.05 4.28 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 0.00 106 R 7.93 4.41 0.00 1.84 2.09 0.00 3.50 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 107 E 8.85 3.66 0.00 2.31 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 2.22 2.28 0.00 108 G 8.75 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 *109 G 7.78 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.