NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7802 8.2127 109.7341 45.5341 0.0000 176.1941 *2 Q 4.1968 8.6117 123.5892 55.9085 30.4361 176.9085 3 T 3.8047 7.5828 107.1921 64.1727 68.6631 174.8602 4 K 4.2527 7.8132 119.0788 56.0247 32.3531 176.4024 5 V 3.6298 7.6902 120.8955 62.5148 31.6423 175.2133 6 I 4.0870 8.0460 128.4232 59.8708 38.3385 174.9639 7 N 4.4869 8.2825 123.9200 51.7512 40.1947 175.0217 8 F 4.3581 8.1173 127.2868 60.8670 39.1888 176.9668 9 N 4.5259 8.4687 116.0628 56.7857 38.5567 176.0564 10 D 4.3340 8.5047 118.4829 57.4717 41.7377 178.1808 11 K 4.1941 8.1909 118.8660 59.5561 31.5516 179.4105 12 F 4.0660 8.6186 118.7481 60.3984 38.5621 177.7457 13 S 4.2318 7.9852 112.8594 60.8619 62.8323 175.9922 14 L 4.3008 7.7259 121.3591 55.5761 41.8390 176.6717 15 F 5.0938 7.0740 111.5270 55.2800 40.8309 174.0924 16 N 4.8256 8.6881 117.5922 53.0570 40.4386 175.0924 17 Q 4.1468 8.2291 119.4450 56.3435 28.6845 174.9554 18 H 5.0406 8.6803 120.7632 55.2540 30.3894 174.7951 19 W 4.0275 8.2251 119.0180 58.0950 27.0772 175.7262 20 S 4.6310 7.4138 114.3968 55.4684 63.0196 171.5184 21 P 4.5126 0.0000 0.0000 62.5425 32.2645 175.6263 22 R 4.3263 8.5449 123.3921 54.0443 32.1712 175.7064 23 V 4.2049 8.4281 125.4893 63.1465 31.4651 175.4486 24 I 4.4693 8.7805 121.3447 61.2968 39.2955 175.2855 25 A 4.5428 7.6116 122.2827 51.4501 22.4144 174.9480 26 E 5.6714 8.3193 118.0456 52.7017 33.6942 176.2224 *28 N 4.8937 8.6946 118.3472 54.0337 39.6707 174.9263 29 D 5.0290 9.0779 126.5177 54.4795 40.7211 173.8505 30 Y 5.0411 8.2492 115.6720 57.0803 41.7674 174.5410 31 Q 5.2222 9.0538 119.9208 54.3057 33.1253 174.4325 32 F 5.0575 9.4252 121.5558 55.8223 41.2187 174.9178 33 K 5.0888 9.0980 123.4551 54.5579 35.2641 175.7558 34 L 4.7969 8.7960 124.8751 53.6156 43.7351 175.8910 35 V 4.9125 9.1366 122.0552 61.2799 35.6580 173.7494 36 K 4.9708 8.9493 125.5950 54.8678 34.4552 175.6206 37 V 3.4688 8.0717 117.2423 59.4063 35.9085 174.1668 38 E 4.5381 7.9439 121.0095 56.6937 32.1397 177.1122 39 G 4.0115 9.2281 113.8722 45.4825 0.0000 172.2734 40 E 4.7998 8.6652 119.4647 54.5940 32.5245 176.2657 41 F 3.9056 8.1077 125.8959 57.4368 40.7139 174.8353 42 V 4.2768 6.2782 111.2976 58.8632 34.9457 175.6402 43 W 4.4301 8.5550 122.7213 57.2945 29.6367 175.3580 44 H 4.9164 8.8698 119.1649 55.2334 31.8991 171.8152 45 E 5.0075 8.4947 115.2462 55.4413 33.6794 173.9590 46 H 5.0581 8.7204 116.5070 53.8897 30.1491 174.9431 47 A 4.0028 8.9065 127.5043 54.3666 18.4943 177.7374 48 D 4.9601 8.0171 112.2540 54.2615 41.6663 175.4478 49 T 4.7606 7.3506 113.3034 60.6023 70.8708 172.6996 50 D 4.8059 8.7431 126.5558 54.4137 42.1460 175.2245 51 E 4.6765 9.1089 121.1221 54.4914 33.4465 174.2702 52 V 4.8931 8.2192 125.7475 61.2438 34.0419 174.0902 53 F 5.0157 9.2580 126.5091 55.7160 41.0572 174.8395 54 I 4.6913 8.3433 123.9681 59.5590 40.0725 175.6518 55 V 3.8865 8.6421 127.4981 61.9107 33.7657 174.0798 *57 E 4.0017 8.5091 123.0866 57.4664 30.6126 176.1453 58 G 3.5795 9.0973 111.2360 44.3345 0.0000 171.2122 59 T 4.9135 8.0358 115.4265 61.8498 71.8554 173.3114 60 L 4.7330 8.9524 128.9334 53.3517 44.7230 175.0114 61 Q 5.1106 8.4586 122.6214 54.1277 32.7511 174.4036 62 I 4.4644 8.2832 121.9256 59.3228 40.7731 174.4389 63 A 4.8830 8.1987 129.5320 50.6049 20.3036 176.2887 64 F 5.3067 9.3181 120.4082 55.3232 42.6857 176.7956 65 R 3.9425 9.2691 118.3889 59.1904 29.7562 177.6931 66 D 4.9858 7.9674 113.2425 53.7712 42.4943 175.3010 67 Q 4.6858 7.8471 115.3811 55.3143 31.6466 172.4656 68 N 5.6031 8.6044 116.3637 51.5900 41.6537 173.8014 69 I 4.7256 8.6931 116.0282 59.4648 40.9771 174.3344 70 T 5.0261 8.3695 119.2935 61.7770 71.3083 173.3095 71 L 4.9427 9.2654 125.9705 53.1484 44.4973 176.2324 72 Q 4.9107 9.2131 122.3602 53.4813 32.0656 174.9100 73 A 4.1752 7.7061 123.3227 54.2176 18.5745 177.9514 74 G 3.8763 9.1311 110.7077 46.1577 0.0000 172.5178 75 E 4.7126 7.6480 117.5507 54.3305 34.6617 173.7385 *77 Y 4.4544 8.1804 119.9272 57.7845 40.4100 173.6998 78 V 4.6436 7.5194 125.3122 61.3290 33.2790 175.1164 79 I 4.4604 9.3337 130.6396 60.0989 38.0830 174.1375 80 P 5.0663 0.0000 0.0000 61.7151 32.6390 176.4756 81 K 4.3775 8.1455 121.6715 58.0527 32.7032 177.7312 82 G 3.9909 9.1192 110.3978 44.3817 0.0000 173.3164 83 V 4.1740 7.4521 120.0107 61.8785 32.0936 175.6698 84 E 4.7393 9.0492 128.4715 57.0386 30.2966 175.8459 85 H 4.7703 9.0958 118.1703 54.5492 32.7789 172.7523 86 K 4.0423 7.8125 120.0199 53.7794 34.3470 173.8588 87 P 5.0473 0.0000 0.0000 61.5671 33.4273 175.1044 *89 A 4.3117 8.3003 121.1243 51.9471 19.3168 178.0663 90 K 3.9166 9.0061 122.5500 58.7874 32.3931 176.5848 91 E 4.7318 7.5896 114.8901 53.4380 33.2216 174.6741 92 E 4.0521 8.6051 120.5812 57.3006 30.0947 175.5643 93 C 4.8189 8.8886 126.2956 57.4867 35.1654 172.4469 94 K 4.6426 8.8849 126.3826 54.8781 32.5629 175.2914 95 I 5.0380 8.5301 122.7100 58.9710 41.3396 174.2337 *97 I 4.3670 8.1628 119.7700 61.4686 39.0803 174.8106 98 I 4.8513 7.6065 125.5540 59.4907 40.5288 174.2103 99 E 4.9594 8.4864 122.8169 54.5808 33.1867 173.0168 100 P 3.9215 0.0000 0.0000 62.0630 32.2017 177.0477 101 R 3.9937 8.4511 121.1689 56.6439 29.8963 176.7325 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 0 G 8.21 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 4.20 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 3 T 7.58 3.80 4.22 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 1.23 0.00 0.00 4 K 7.81 4.25 0.00 1.73 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 5 V 7.69 3.63 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 0.66 0.00 0.00 0.90 0.00 0.00 6 I 8.05 4.09 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.79 0.00 0.00 7 N 8.28 4.49 0.00 2.65 2.62 0.00 0.00 7.19 7.71 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 8 F 8.12 4.36 0.00 3.25 3.11 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 0.00 0.00 0.00 9 N 8.47 4.53 0.00 2.95 3.04 0.00 0.00 6.78 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.50 4.33 0.00 2.68 2.87 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 11 K 8.19 4.19 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.62 7.81 12 F 8.62 4.07 0.00 3.15 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 13 S 7.99 4.23 0.00 4.05 4.13 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 0.00 0.00 0.00 0.00 14 L 7.73 4.30 0.00 2.00 1.89 0.98 0.71 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 15 F 7.07 5.09 0.00 3.17 2.94 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 0.00 0.00 0.00 16 N 8.69 4.83 0.00 2.71 2.84 0.00 0.00 6.91 7.69 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 17 Q 8.23 4.15 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 18 H 8.68 5.04 0.00 3.30 2.81 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.23 4.03 0.00 3.50 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 20 S 7.41 4.63 0.00 3.97 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 21 P 0.00 4.51 0.00 1.88 1.92 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 22 R 8.54 4.33 0.00 1.19 1.60 0.00 2.74 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.31 0.00 23 V 8.43 4.20 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 0.84 0.00 0.00 0.91 0.00 0.00 24 I 8.78 4.47 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.95 0.00 0.00 25 A 7.61 4.54 1.06 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 0.00 0.00 26 E 8.32 5.67 0.00 1.86 1.95 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 2.27 2.18 0.00 *28 N 8.69 4.89 0.00 2.87 2.02 0.00 0.00 6.71 8.06 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 29 D 9.08 5.03 0.00 2.68 2.89 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 30 Y 8.25 5.04 0.00 2.93 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 31 Q 9.05 5.22 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 32 F 9.43 5.06 0.00 2.98 3.03 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 33 K 9.10 5.09 0.00 1.46 1.60 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.34 7.81 34 L 8.80 4.80 0.00 1.50 1.30 0.14 0.36 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 35 V 9.14 4.91 2.07 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 1.05 0.00 0.00 0.90 0.00 0.00 36 K 8.95 4.97 0.00 2.04 1.63 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.53 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.28 1.54 7.81 37 V 8.07 3.47 0.67 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 0.01 0.00 0.00 0.66 0.00 0.00 38 E 7.94 4.54 0.00 1.70 1.72 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 2.21 2.18 0.00 39 G 9.23 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.67 4.80 0.00 1.89 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 0.00 2.21 2.28 0.00 41 F 8.11 3.91 0.00 2.31 2.71 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 42 V 6.28 4.28 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.08 0.00 0.00 43 W 8.56 4.43 0.00 3.16 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 44 H 8.87 4.92 0.00 3.20 3.34 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.49 5.01 0.00 2.20 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 2.30 2.38 0.00 46 H 8.72 5.06 0.00 3.31 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.91 4.00 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 48 D 8.02 4.96 0.00 2.66 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 49 T 7.35 4.76 4.22 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 1.20 0.00 0.00 50 D 8.74 4.81 0.00 2.65 2.62 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 0.00 51 E 9.11 4.68 0.00 1.99 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 1.99 2.04 0.00 52 V 8.22 4.89 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 0.91 0.00 0.00 0.92 0.00 0.00 53 F 9.26 5.02 0.00 2.99 3.01 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 0.00 0.00 0.00 54 I 8.34 4.69 1.85 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 1.26 0.93 0.90 0.00 0.00 55 V 8.64 3.89 2.31 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 0.95 0.00 0.00 0.97 0.00 0.00 *57 E 8.51 4.00 0.00 1.97 1.60 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 2.17 2.25 0.00 58 G 9.10 3.58 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 0.00 0.00 0.00 59 T 8.04 4.91 4.21 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 1.23 0.00 0.00 60 L 8.95 4.73 0.00 1.69 1.44 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.46 5.11 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 62 I 8.28 4.46 1.45 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.46 0.11 0.00 0.00 63 A 8.20 4.88 1.05 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 0.00 0.00 0.00 0.00 0.00 64 F 9.32 5.31 0.00 3.22 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 65 R 9.27 3.94 0.00 1.87 2.00 0.00 3.17 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 66 D 7.97 4.99 0.00 2.67 2.69 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 67 Q 7.85 4.69 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 68 N 8.60 5.60 0.00 2.66 2.72 0.00 0.00 6.43 7.32 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 69 I 8.69 4.73 1.77 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.89 0.00 0.00 70 T 8.37 5.03 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 1.19 0.00 0.00 71 L 9.27 4.94 0.00 1.49 1.55 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.21 4.91 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 73 A 7.71 4.18 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.13 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 75 E 7.65 4.71 0.00 2.06 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 2.24 2.34 0.00 *77 Y 8.18 4.45 0.00 3.20 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 78 V 7.52 4.64 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 0.86 0.00 0.00 0.86 0.00 0.00 79 I 9.33 4.46 2.07 0.00 0.00 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 1.66 1.25 0.98 0.00 0.00 80 P 0.00 5.07 0.00 2.11 1.98 0.00 3.73 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 81 K 8.15 4.38 0.00 2.04 1.96 0.00 1.83 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.41 7.81 82 G 9.12 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 0.00 0.00 0.00 83 V 7.45 4.17 2.39 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 1.06 0.00 0.00 1.03 0.00 0.00 84 E 9.05 4.74 0.00 2.07 2.21 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 2.44 2.52 0.00 85 H 9.10 4.77 0.00 2.50 3.08 0.00 5.21 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.81 4.04 0.00 0.79 0.74 0.00 1.46 0.00 0.00 0.74 0.00 0.00 2.40 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.88 0.96 7.81 87 P 0.00 5.05 0.00 2.30 1.88 0.00 4.12 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 2.25 1.75 0.00 *89 A 8.30 4.31 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 90 K 9.01 3.92 0.00 2.00 1.88 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.03 7.81 91 E 7.59 4.73 0.00 1.86 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 2.23 0.00 92 E 8.61 4.05 0.00 1.91 1.78 0.00 0.00 0.00 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 2.12 0.00 93 C 8.89 4.82 0.00 2.87 2.54 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 94 K 8.88 4.64 0.00 1.10 0.74 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.67 0.94 7.81 95 I 8.53 5.04 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.77 0.94 0.00 0.00 *97 I 8.16 4.37 1.66 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.28 0.63 0.00 0.00 98 I 7.61 4.85 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.10 0.35 0.00 0.00 99 E 8.49 4.96 0.00 1.86 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 2.05 2.14 0.00 100 P 0.00 3.92 0.00 1.66 1.45 0.00 3.49 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 1.78 1.40 0.00 101 R 8.45 3.99 0.00 1.85 1.79 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.