NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5879 8.3493 120.5321 54.0344 40.9991 174.8936 2 I 3.8678 7.9714 117.9024 58.5622 38.7598 171.7614 3 E 4.8887 9.1981 119.0673 54.5554 33.7486 176.0686 4 L 5.2864 8.3356 118.8521 53.3943 45.8915 176.1238 5 T 4.6400 9.4022 119.7201 61.8268 71.7205 172.5226 6 Q 5.3432 8.8832 127.9183 54.6435 31.2139 174.5387 7 T 4.9654 9.1871 115.7196 59.3075 72.6826 171.8037 8 P 4.6806 0.0000 0.0000 62.4890 32.3880 176.6642 9 V 3.9416 8.3338 119.5690 66.0594 32.4388 175.5547 10 S 5.2082 7.7437 111.9270 57.5977 65.5680 173.6480 11 L 4.5573 8.8496 121.5900 54.5194 45.9600 173.5813 12 S 5.3189 8.6937 119.0122 56.9694 66.3490 173.0589 13 A 4.9399 9.3538 125.3484 50.9914 23.5374 174.1976 14 S 5.0778 9.2340 112.1952 56.1589 67.1027 174.0969 15 V 4.0127 8.3877 120.2117 64.5653 31.8435 175.3927 16 G 4.0225 9.1085 115.4781 45.4387 0.0000 173.3302 17 E 4.4749 7.8838 118.4631 56.5222 31.1716 175.8471 18 T 5.3030 8.1220 116.3814 61.1634 71.2478 174.3451 19 V 4.5811 8.0634 117.3366 59.9579 36.5904 174.3964 20 T 4.9288 8.2596 117.7110 61.9990 72.1498 173.4590 21 I 4.6548 8.5536 126.1197 59.7652 41.0078 174.6452 22 T 5.3257 9.3038 121.1210 62.0326 72.3347 172.1810 23 C 5.5759 10.0182 125.2281 54.8244 45.5682 172.4639 24 R 5.2240 8.8774 125.4145 54.5972 32.9053 173.6771 25 A 5.1688 9.2743 129.1746 50.5560 20.5916 177.8007 26 S 4.3728 9.0854 116.6645 59.7160 63.2708 174.0437 27 E 4.5762 7.9617 118.2949 55.0196 32.7920 174.4568 28 N 4.2473 8.9336 123.9007 54.5643 39.2396 174.1769 29 I 4.5032 9.2547 118.7166 60.0211 39.7899 176.6153 30 Y 3.6448 8.3703 124.1043 60.0976 37.3759 171.7739 31 S 4.7315 8.3400 124.4915 59.2627 64.1903 173.8455 32 Y 4.6817 7.6273 121.8539 57.2805 36.4679 174.4174 33 L 5.1094 7.4092 121.9535 53.1080 45.7360 175.8383 34 A 5.2704 9.1180 127.9489 50.2149 22.2008 175.3195 35 W 5.5177 8.6437 118.3797 55.2214 33.3595 174.3783 36 Y 5.3434 9.6671 120.1699 56.3272 41.9933 174.1067 37 Q 4.7591 9.4233 123.0038 54.2839 32.5520 174.1141 38 Q 4.6991 9.2693 127.1759 54.3644 32.0586 174.4524 39 K 4.6420 8.6157 125.9267 55.2135 34.2057 176.4399 40 Q 4.0618 8.7100 123.8932 57.5438 29.3858 176.5582 41 G 3.9156 8.8961 111.7474 45.9792 0.0000 172.7974 42 K 4.6178 7.8702 118.1841 53.9199 34.9189 176.1334 43 S 4.3768 8.2288 115.9500 57.6858 63.4222 172.8040 44 P 4.7500 0.0000 0.0000 62.9924 32.1341 175.8436 45 Q 4.8726 9.3421 121.6525 53.7041 32.0792 174.9398 46 F 4.2880 9.2761 126.1937 59.0748 39.7149 173.0927 47 L 4.2933 8.4122 124.0531 55.6916 44.3231 176.7075 48 V 4.8512 6.9290 110.6976 59.6019 36.1897 173.9171 49 Y 5.0880 8.5418 121.0795 55.5331 41.1400 174.3128 50 N 4.8451 10.4002 113.9870 53.5792 37.9914 175.7622 51 A 4.3035 8.7146 125.3210 51.9850 18.2770 180.2585 52 K 4.6172 8.8264 110.5233 56.3602 34.0355 175.8227 53 T 4.2418 7.8794 118.5933 62.3798 69.4892 174.3853 54 L 4.3512 8.5270 127.2892 54.3734 42.5511 177.5448 55 G 3.9499 8.9940 110.7555 45.9081 0.0000 172.8229 56 E 4.2984 8.9043 120.4550 58.0267 29.7656 178.2423 57 G 3.9754 8.9675 111.4909 45.3414 0.0000 173.6615 58 V 3.6219 7.4686 120.6016 61.8480 31.5933 174.1455 59 P 4.6774 0.0000 0.0000 62.1795 32.3079 176.6017 60 S 4.5431 8.4470 111.4017 58.9645 63.6392 175.0826 61 R 3.9638 8.1212 121.5114 59.6425 30.6983 176.8314 62 F 4.8456 7.8148 115.7191 57.2789 40.1057 175.9931 63 S 4.5321 8.8127 118.0211 57.1485 66.9731 173.6474 64 G 4.6235 8.4631 111.3970 44.4012 0.0000 172.0926 65 S 4.6077 8.7617 112.3063 58.0625 66.5221 174.2083 66 G 4.0921 9.9828 109.2119 45.9610 0.0000 172.2480 67 S 4.2899 7.7946 111.0203 58.0549 64.7638 174.5124 68 G 4.1552 8.1824 109.6774 45.9930 0.0000 175.1767 69 T 4.0811 7.5176 113.6941 62.4406 73.4397 173.8671 70 Q 4.9846 7.4795 119.7158 53.9760 31.5945 175.0631 71 F 5.5231 9.5081 122.5322 55.8674 43.1492 174.1787 72 S 5.2637 9.2651 114.8758 56.8949 67.0570 172.3464 73 L 4.5582 8.4961 123.8903 53.0336 44.1722 174.7437 74 K 4.7756 8.5934 127.9080 54.6141 34.9710 174.8133 75 I 4.2639 8.1842 127.6861 59.3472 39.5534 174.5552 76 N 4.3782 8.9098 125.9532 54.3409 39.2762 176.6098 77 S 4.2258 8.0705 110.7701 58.2477 60.3662 171.2223 78 L 3.9725 8.3283 124.2665 54.8641 42.3868 176.9634 79 L 5.0843 8.3189 121.7134 52.0162 44.1260 175.7458 80 P 4.5066 0.0000 0.0000 66.0542 31.2248 178.2437 81 E 4.3638 8.1864 112.7265 57.5246 29.9196 176.8158 82 D 4.7361 8.1096 119.1539 55.3115 41.4179 176.6063 83 F 4.4381 7.9102 118.4452 55.7136 40.4598 176.7605 84 G 3.9373 7.1021 109.8898 46.2977 0.0000 170.6838 85 S 5.3351 8.2976 118.1279 57.0630 65.6614 173.0991 86 Y 5.9516 8.7698 121.1276 55.8319 40.7790 174.3746 87 Y 5.4804 9.1463 120.0931 56.4734 42.1665 173.6572 88 C 4.7320 8.8082 117.6614 54.3155 42.1782 172.2564 89 Q 4.8104 8.3343 119.8920 55.0937 32.6183 172.5545 90 H 5.0108 8.6392 126.8445 55.6749 30.4779 174.3324 91 H 4.9534 8.9307 119.9982 55.2454 29.4153 172.9586 92 Y 4.2641 8.1045 118.7821 56.2027 41.4823 174.3555 93 G 3.7164 7.2067 111.0159 43.7908 0.0000 172.4630 94 T 4.0929 7.9610 117.0169 62.1161 69.0690 173.5452 95 P 4.4333 0.0000 0.0000 61.5143 32.1727 174.2615 96 P 4.5466 0.0000 0.0000 62.2762 32.3199 175.0910 97 L 4.8051 8.0559 118.6837 53.3096 45.3931 175.4833 98 T 4.6779 8.0022 115.3472 62.3228 70.6937 174.1822 99 F 5.1297 8.8294 123.5247 55.7824 40.9013 176.0355 100 G 3.9100 8.9615 109.5978 46.3067 0.0000 174.4341 101 G 3.8786 8.8367 107.9513 45.4607 0.0000 175.0401 102 G 3.4867 8.2048 107.0042 45.4870 0.0000 172.9984 103 T 4.7550 8.5412 115.5834 59.8042 70.7598 172.6157 104 K 4.5619 8.8481 130.9395 55.5905 33.5014 175.0295 105 L 5.0121 8.8121 131.1081 54.4666 43.4806 175.3141 106 E 5.2683 9.4905 124.9643 54.6131 34.2770 174.4506 107 I 4.5232 7.9246 115.6788 59.3758 39.1600 175.5826 108 K 4.0278 8.8688 128.0961 57.4456 33.4196 177.9418 *109 R 4.1274 8.4440 120.2224 56.5788 30.0759 173.7532 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 D 8.35 4.59 0.00 2.69 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 2 I 7.97 3.87 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.34 0.91 0.00 0.00 3 E 9.20 4.89 0.00 2.05 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 0.00 2.18 2.26 0.00 4 L 8.34 5.29 0.00 1.50 1.54 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.40 4.64 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 1.25 0.00 0.00 6 Q 8.88 5.34 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 7 T 9.19 4.97 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 1.26 0.00 0.00 8 P 0.00 4.68 0.00 2.41 2.11 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 9 V 8.33 3.94 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 1.01 0.00 0.00 0.96 0.00 0.00 10 S 7.74 5.21 0.00 3.90 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 11 L 8.85 4.56 0.00 1.75 1.52 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.69 5.32 0.00 3.77 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 13 A 9.35 4.94 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 14 S 9.23 5.08 0.00 3.87 3.96 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 0.00 0.00 0.00 0.00 15 V 8.39 4.01 2.19 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 0.83 0.00 0.00 1.07 0.00 0.00 16 G 9.11 4.02 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 0.00 0.00 0.00 17 E 7.88 4.47 0.00 2.09 1.89 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 2.32 2.30 0.00 18 T 8.12 5.30 4.17 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 1.11 0.00 0.00 19 V 8.06 4.58 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 0.69 0.00 0.00 0.69 0.00 0.00 20 T 8.26 4.93 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 1.14 0.00 0.00 21 I 8.55 4.65 1.53 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 1.17 0.49 1.17 0.00 0.00 22 T 9.30 5.33 4.42 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 1.37 0.00 0.00 23 C 10.02 5.58 0.00 2.96 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 24 R 8.88 5.22 0.00 1.99 1.78 0.00 3.16 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 25 A 9.27 5.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.09 4.37 0.00 3.87 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 27 E 7.96 4.58 0.00 1.90 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 2.11 2.14 0.00 28 N 8.93 4.25 0.00 2.60 2.56 0.00 0.00 6.83 7.94 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 29 I 9.25 4.50 1.93 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 1.59 0.82 0.76 0.00 0.00 30 Y 8.37 3.64 0.00 2.95 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 31 S 8.34 4.73 0.00 3.87 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 32 Y 7.63 4.68 0.00 3.30 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 33 L 7.41 5.11 0.00 0.53 0.89 0.51 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.12 5.27 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 35 W 8.64 5.52 0.00 3.20 3.09 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 36 Y 9.67 5.34 0.00 3.25 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 37 Q 9.42 4.76 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 1.96 1.39 0.00 38 Q 9.27 4.70 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 39 K 8.62 4.64 0.00 1.78 1.73 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.44 7.81 40 Q 8.71 4.06 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 41 G 8.90 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 0.00 0.00 0.00 42 K 7.87 4.62 0.00 1.73 1.74 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.53 7.81 43 S 8.23 4.38 0.00 3.86 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 44 P 0.00 4.75 0.00 1.86 1.98 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 45 Q 9.34 4.87 0.00 1.99 2.04 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 2.32 2.30 0.00 46 F 9.28 4.29 0.00 2.97 2.97 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 47 L 8.41 4.29 0.00 1.54 1.33 1.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 V 6.93 4.85 2.20 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 0.82 0.00 0.00 1.13 0.00 0.00 49 Y 8.54 5.09 0.00 3.09 3.30 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 50 N 10.40 4.85 0.00 2.95 2.64 0.00 0.00 7.62 8.15 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 51 A 8.71 4.30 1.69 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 0.00 0.00 52 K 8.83 4.62 0.00 1.75 1.93 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.31 7.81 53 T 7.88 4.24 3.20 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 1.04 0.00 0.00 54 L 8.53 4.35 0.00 1.52 1.56 1.03 0.96 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 55 G 8.99 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 56 E 8.90 4.30 0.00 2.04 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 2.38 2.42 0.00 57 G 8.97 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 58 V 7.47 3.62 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 0.43 0.00 0.00 0.80 0.00 0.00 59 P 0.00 4.68 0.00 2.38 2.26 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.12 0.00 60 S 8.45 4.54 0.00 4.01 4.03 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 61 R 8.12 3.96 0.00 1.42 1.52 0.00 3.14 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 62 F 7.81 4.85 0.00 2.82 2.85 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 63 S 8.81 4.53 0.00 3.67 3.63 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 64 G 8.46 4.62 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 0.00 0.00 0.00 65 S 8.76 4.61 0.00 3.91 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 66 G 9.98 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 0.00 0.00 0.00 67 S 7.79 4.29 0.00 3.90 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 68 G 8.18 4.16 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 0.00 0.00 0.00 69 T 7.52 4.08 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 1.19 0.00 0.00 70 Q 7.48 4.98 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 71 F 9.51 5.52 0.00 3.25 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 72 S 9.27 5.26 0.00 3.88 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 73 L 8.50 4.56 0.00 0.27 0.22 0.62 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.59 4.78 0.00 1.72 1.48 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.26 7.81 75 I 8.18 4.26 1.47 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.53 0.13 0.00 0.00 76 N 8.91 4.38 0.00 2.45 2.64 0.00 0.00 7.31 7.15 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 77 S 8.07 4.23 0.00 3.90 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 78 L 8.33 3.97 0.00 1.66 1.45 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.32 5.08 0.00 1.77 1.79 0.92 1.13 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 80 P 0.00 4.51 0.00 2.26 2.19 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 81 E 8.19 4.36 0.00 2.16 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 0.00 2.37 2.36 0.00 82 D 8.11 4.74 0.00 2.61 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 83 F 7.91 4.44 0.00 3.15 3.08 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 0.00 0.00 0.00 84 G 7.10 3.94 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 0.00 0.00 0.00 85 S 8.30 5.34 0.00 3.79 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.77 5.95 0.00 2.98 3.14 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 87 Y 9.15 5.48 0.00 3.23 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 88 C 8.81 4.73 0.00 1.90 1.18 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 89 Q 8.33 4.81 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 90 H 8.64 5.01 0.00 3.09 3.08 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.93 4.95 0.00 3.17 3.34 0.00 5.55 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.10 4.26 0.00 2.14 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 0.00 0.00 0.00 0.00 93 G 7.21 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 94 T 7.96 4.09 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 1.16 0.00 0.00 95 P 0.00 4.43 0.00 1.99 1.92 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 96 P 0.00 4.55 0.00 2.18 2.04 0.00 3.68 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 1.96 1.97 0.00 97 L 8.06 4.81 0.00 1.46 1.55 0.77 0.82 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 98 T 8.00 4.68 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 1.28 0.00 0.00 99 F 8.83 5.13 0.00 2.92 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 0.00 100 G 8.96 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 0.00 101 G 8.84 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 0.00 102 G 8.20 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.54 4.75 4.67 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 1.35 0.00 0.00 104 K 8.85 4.56 0.00 1.93 1.73 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.58 1.44 7.81 105 L 8.81 5.01 0.00 1.95 1.93 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.49 5.27 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 2.31 2.31 0.00 107 I 7.92 4.52 1.54 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.16 0.16 0.00 0.00 108 K 8.87 4.03 0.00 1.73 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.39 7.81 *109 R 8.44 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.