NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.6914 8.3349 115.5531 58.4204 64.6227 172.3106 16 Q 4.5268 8.7443 119.1493 53.2040 32.6815 172.7960 17 N 5.2691 8.8363 120.0527 52.0067 41.9536 173.1014 18 F 5.0530 9.0739 123.8430 55.2631 43.5963 174.5136 19 L 4.6585 8.8011 121.0666 55.0245 42.5069 176.2842 20 F 4.9737 9.0971 124.5873 56.6108 42.4671 173.9166 21 G 3.9276 7.4416 110.4108 45.4560 0.0000 171.7103 22 C 4.5801 8.2608 114.8483 56.4528 33.5156 172.1257 23 E 4.6685 8.5520 120.6473 54.3191 31.3923 174.8665 24 L 5.1123 8.5770 126.6841 53.0218 45.3909 175.6285 25 K 4.5427 8.7835 120.7125 55.9220 35.9933 176.4847 26 A 3.9589 8.4667 123.3291 55.4758 18.2138 178.9210 27 D 4.5589 7.9617 113.4253 56.1073 41.4617 176.9366 28 K 4.5563 8.0693 120.5349 54.6761 32.5248 175.9713 29 K 4.2469 8.2205 122.5351 57.6124 33.4715 176.1036 30 E 5.2635 8.1312 117.9202 54.5271 33.5640 174.7374 31 Y 4.6228 9.1544 123.1067 56.0307 42.1520 173.8397 32 S 4.7366 8.1998 121.9933 57.0397 63.6923 172.7756 33 F 4.8144 9.3252 131.4024 56.8408 40.3474 174.6357 34 K 4.7172 7.8699 124.3539 54.7208 36.0718 175.9928 35 V 4.2695 7.9295 114.0120 59.7634 35.6113 174.1816 36 E 4.9278 7.8448 119.9026 55.5908 33.7916 175.9549 37 D 4.4018 7.7652 124.6465 55.5898 45.4868 179.3790 *40 N 4.6636 8.9465 124.1239 54.0177 39.5275 173.1702 41 E 4.5165 8.6758 121.1081 56.1678 31.2847 175.2507 42 H 5.5053 8.7693 119.4785 54.1710 32.2923 172.7004 43 Q 4.7428 9.0496 122.9930 54.2708 33.1565 173.2097 44 L 4.5793 8.5860 127.3881 53.5976 43.9874 174.9362 45 S 5.1173 8.8908 122.4931 56.5223 63.9814 172.8513 46 L 4.5385 8.9424 129.0217 55.1043 42.3616 177.3290 47 R 4.5203 9.5358 121.9148 57.5266 32.6295 176.0738 48 T 5.1867 7.7380 107.2227 59.9201 72.8843 172.3685 49 V 5.0187 8.8503 123.2943 61.3039 34.4909 174.4989 50 S 5.2160 9.1698 121.0301 57.0544 66.7916 172.7044 51 L 4.8405 8.5142 121.4059 53.4541 43.4215 176.8266 52 G 4.2023 8.7284 109.7600 44.9921 0.0000 174.7381 53 A 4.1500 8.7853 122.9401 54.5270 18.4430 178.7063 54 S 4.5807 7.9043 107.2827 57.8515 63.7050 174.2296 55 A 4.6259 7.6879 124.3850 51.4547 18.6464 177.8342 56 K 4.1198 8.4803 123.6262 56.3895 32.9941 177.6777 57 D 4.9448 8.3735 125.3812 54.0654 38.0471 173.9770 58 E 4.7719 7.8035 119.1881 54.1531 33.5173 175.1597 59 L 4.4504 8.4451 122.1983 55.4929 42.9827 175.5091 60 H 5.1024 9.4660 122.8433 53.9343 32.4110 172.6893 61 V 4.7932 8.8920 122.8725 61.0348 34.3951 174.1448 62 V 5.0868 8.8755 128.0568 61.0504 34.1035 174.0758 63 E 5.3044 9.4055 124.6822 54.4826 33.5297 174.2023 64 A 5.2147 8.9893 121.9867 50.1314 22.5642 174.8796 65 E 5.2238 8.3457 121.5688 53.8039 32.9688 175.1186 66 G 4.1958 8.1223 112.2901 46.1983 0.0000 171.5663 67 I 4.8196 8.4998 120.5969 60.6027 38.4717 176.3206 68 N 4.8754 9.0203 124.2570 51.4695 39.2176 175.2630 69 Y 4.1979 8.6287 115.1068 59.1861 38.2704 176.0802 70 E 3.9001 7.5596 118.4452 56.0845 29.8716 176.7709 71 G 3.8809 8.3273 107.6857 45.1400 0.0000 173.3424 72 K 4.5422 8.0806 119.0836 54.8940 34.4521 175.9174 73 T 4.7905 8.4315 121.0343 63.2026 69.2932 174.0277 74 I 4.7169 8.8763 119.8235 58.8961 41.5270 174.3221 75 K 5.2339 8.5966 121.3247 54.5226 34.8988 175.8354 76 I 4.7264 8.7085 117.1717 58.9248 41.0854 174.2389 77 A 4.5728 8.6106 126.5798 51.6380 18.6821 177.1387 78 L 4.4044 9.0933 124.0024 57.5729 42.6068 177.5717 79 A 4.5725 7.5949 116.6684 51.1182 22.5241 175.2473 80 S 5.2176 8.7764 116.4262 56.8407 65.2173 173.6850 81 L 5.0625 8.9702 123.8195 53.2012 46.5180 175.5789 82 K 4.8740 8.6636 121.1040 54.9923 35.3631 175.0727 83 P 4.2539 0.0000 0.0000 65.1301 31.4378 177.1223 84 S 4.6702 8.1104 109.6118 57.9941 63.6680 173.9525 85 V 4.1927 7.5732 118.7028 64.4848 33.3286 176.1175 86 Q 4.5614 8.2393 123.5458 54.5487 30.1344 172.1688 87 P 4.5275 0.0000 0.0000 64.5141 32.8966 176.3246 88 T 5.2937 7.8046 115.3174 61.7003 72.6234 173.4727 89 V 4.4385 8.7135 123.5382 61.2426 35.1064 173.9146 90 S 5.0544 8.7109 122.3914 57.0891 61.7508 173.7144 91 L 4.1292 9.1397 127.8736 55.0398 42.7405 178.8765 92 G 3.6359 8.4187 105.9266 45.8145 0.0000 173.7400 93 G 3.8341 7.4959 102.4105 46.3683 0.0000 175.4907 94 F 4.4597 8.6044 120.9954 57.9502 40.4176 174.8714 95 E 4.8362 8.8858 126.5416 56.1329 30.4422 176.5520 96 I 4.7077 8.9557 124.7496 59.7728 41.4268 174.5164 97 T 4.7112 8.5449 122.9618 61.7591 69.1981 173.1069 98 P 4.3753 0.0000 0.0000 62.5767 32.0511 174.1063 99 P 4.9792 0.0000 0.0000 62.5722 32.8663 175.7130 100 V 4.7536 8.6011 120.0708 60.3567 35.2025 173.8706 101 I 4.8980 8.8123 124.6598 60.1167 39.2386 174.4660 102 L 5.1346 9.3089 126.8734 53.2210 44.0321 175.5927 103 R 5.0360 9.0568 123.0034 54.7429 34.1713 173.9843 104 L 4.5332 8.8454 128.5831 53.9704 40.6269 175.9148 105 K 4.3195 8.8788 127.7729 58.8516 32.9186 176.5842 106 S 4.5690 8.0752 112.2905 57.5492 66.4600 174.4788 107 G 3.9658 8.8237 107.6001 45.0626 0.0000 174.1108 108 S 4.0214 9.0789 115.9563 59.2959 63.4285 176.0312 109 G 4.2013 8.3600 109.5840 43.2933 0.0000 170.1478 110 P 4.7172 0.0000 0.0000 62.6451 32.8266 175.5535 111 V 4.7366 8.8596 121.7730 61.3443 34.6994 173.6473 112 Y 4.9387 9.1197 124.8487 56.2167 40.7669 174.6985 113 V 4.8412 8.5997 122.9699 61.2994 34.5538 174.5486 114 S 5.1136 9.2735 122.7792 56.8244 67.4350 174.4198 115 G 3.8711 7.5472 107.3096 46.2078 0.0000 171.4152 116 Q 5.1499 7.9981 117.7036 54.3603 32.4126 174.5161 117 H 5.2629 9.6611 123.4096 54.7924 31.8306 173.1490 118 L 5.4085 9.1427 127.2507 53.3917 43.8844 176.2078 119 V 4.9865 9.0969 122.3459 59.8880 35.1019 175.4486 120 A 4.3583 9.0743 124.9172 52.1813 19.3853 175.6487 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 15 S 8.33 4.69 0.00 4.02 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 16 Q 8.74 4.53 0.00 2.04 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 17 N 8.84 5.27 0.00 2.55 2.46 0.00 0.00 6.78 7.02 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 18 F 9.07 5.05 0.00 3.10 2.91 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 19 L 8.80 4.66 0.00 1.61 1.65 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.10 4.97 0.00 3.08 2.84 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 21 G 7.44 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 0.00 0.00 0.00 22 C 8.26 4.58 0.00 2.47 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 0.00 0.00 0.00 23 E 8.55 4.67 0.00 1.98 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 1.93 1.59 0.00 24 L 8.58 5.11 0.00 1.46 1.46 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.78 4.54 0.00 1.87 1.81 0.00 1.31 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.36 7.81 26 A 8.47 3.96 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 27 D 7.96 4.56 0.00 2.68 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 28 K 8.07 4.56 0.00 1.71 1.61 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.24 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.42 7.81 29 K 8.22 4.25 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.56 1.65 7.81 30 E 8.13 5.26 0.00 1.81 1.83 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 2.21 2.27 0.00 31 Y 9.15 4.62 0.00 3.05 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 32 S 8.20 4.74 0.00 3.79 3.53 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 33 F 9.33 4.81 0.00 3.34 3.04 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 34 K 7.87 4.72 0.00 1.40 1.44 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.31 7.81 35 V 7.93 4.27 1.75 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 0.25 0.00 0.00 0.79 0.00 0.00 36 E 7.84 4.93 0.00 1.86 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 2.15 2.18 0.00 37 D 7.77 4.40 0.00 2.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 N 8.95 4.66 0.00 2.94 2.76 0.00 0.00 6.77 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 41 E 8.68 4.52 0.00 1.92 1.88 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 2.32 2.30 0.00 42 H 8.77 5.51 0.00 3.07 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 9.05 4.74 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 44 L 8.59 4.58 0.00 1.22 1.32 -1.37 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.89 5.12 0.00 3.91 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 46 L 8.94 4.54 0.00 1.61 1.57 0.67 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.54 4.52 0.00 1.81 1.95 0.00 3.25 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 48 T 7.74 5.19 4.26 0.00 0.00 0.00 0.00 0.00 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 49 V 8.85 5.02 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 1.00 0.00 0.00 0.96 0.00 0.00 50 S 9.17 5.22 0.00 3.91 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 51 L 8.51 4.84 0.00 1.55 1.57 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.73 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 53 A 8.79 4.15 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 54 S 7.90 4.58 0.00 4.00 3.99 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 55 A 7.69 4.63 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 56 K 8.48 4.12 0.00 1.76 1.76 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.39 7.81 57 D 8.37 4.94 0.00 2.72 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 58 E 7.80 4.77 0.00 1.94 1.87 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 2.34 2.17 0.00 59 L 8.45 4.45 0.00 1.67 1.60 0.96 0.93 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 60 H 9.47 5.10 0.00 3.03 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.89 4.79 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 0.96 0.00 0.00 0.94 0.00 0.00 62 V 8.88 5.09 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 1.00 0.00 0.00 0.93 0.00 0.00 63 E 9.41 5.30 0.00 2.22 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 2.31 2.23 0.00 64 A 8.99 5.21 1.12 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 0.00 0.00 65 E 8.35 5.22 0.00 2.01 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 0.00 2.19 2.22 0.00 66 G 8.12 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 67 I 8.50 4.82 1.89 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 1.40 0.87 0.97 0.00 0.00 68 N 9.02 4.88 0.00 2.95 3.03 0.00 0.00 6.70 7.48 0.00 0.00 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 Y 8.63 4.20 0.00 3.15 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 70 E 7.56 3.90 0.00 1.76 1.74 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 1.52 1.47 0.00 71 G 8.33 3.88 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 72 K 8.08 4.54 0.00 1.80 1.69 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.34 7.81 73 T 8.43 4.79 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 1.21 0.00 0.00 74 I 8.88 4.72 1.90 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 1.34 0.78 0.93 0.00 0.00 75 K 8.60 5.23 0.00 1.63 1.85 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 I 8.71 4.73 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 0.98 0.00 0.00 77 A 8.61 4.57 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 78 L 9.09 4.40 0.00 1.64 1.77 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.59 4.57 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 80 S 8.78 5.22 0.00 3.75 3.79 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 81 L 8.97 5.06 0.00 1.54 1.66 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.66 4.87 0.00 1.85 1.62 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.53 7.81 83 P 0.00 4.25 0.00 2.09 2.11 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 84 S 8.11 4.67 0.00 3.97 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 85 V 7.57 4.19 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 0.83 0.00 0.00 0.94 0.00 0.00 86 Q 8.24 4.56 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 87 P 0.00 4.53 0.00 2.16 2.29 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 88 T 7.80 5.29 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 1.28 0.00 0.00 89 V 8.71 4.44 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 1.07 0.00 0.00 1.01 0.00 0.00 90 S 8.71 5.05 0.00 3.93 3.76 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 91 L 9.14 4.13 0.00 1.92 1.91 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.42 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 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 94 F 8.60 4.46 0.00 3.12 2.83 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 95 E 8.89 4.84 0.00 1.97 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 2.35 2.54 0.00 96 I 8.96 4.71 1.72 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.00 0.85 0.00 0.00 97 T 8.54 4.71 4.28 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 1.25 0.00 0.00 98 P 0.00 4.38 0.00 2.05 1.98 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 99 P 0.00 4.98 0.00 2.05 1.98 0.00 3.72 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 1.96 1.93 0.00 100 V 8.60 4.75 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 0.90 0.00 0.00 0.97 0.00 0.00 101 I 8.81 4.90 1.89 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 1.23 0.69 1.05 0.00 0.00 102 L 9.31 5.13 0.00 1.70 1.62 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.06 5.04 0.00 1.82 1.71 0.00 3.31 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 104 L 8.85 4.53 0.00 1.64 1.59 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.88 4.32 0.00 1.83 1.83 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 8.08 4.57 0.00 3.85 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 0.00 107 G 8.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 9.08 4.02 0.00 4.01 4.28 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 0.00 109 G 8.36 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 0.00 110 P 0.00 4.72 0.00 1.71 2.07 0.00 3.65 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 2.15 2.03 0.00 111 V 8.86 4.74 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 0.92 0.00 0.00 0.87 0.00 0.00 112 Y 9.12 4.94 0.00 3.00 2.84 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 0.00 113 V 8.60 4.84 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 1.13 0.00 0.00 0.92 0.00 0.00 114 S 9.27 5.11 0.00 3.76 3.67 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 0.00 115 G 7.55 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 0.00 116 Q 8.00 5.15 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 117 H 9.66 5.26 0.00 3.24 3.38 0.00 5.59 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 0.00 118 L 9.14 5.41 0.00 1.77 1.61 1.01 0.59 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 0.00 119 V 9.10 4.99 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 0.88 0.00 0.00 120 A 9.07 4.36 1.21 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 * Residues marked with a * may have inaccurate shift predictions.