NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9929 8.2548 109.1035 45.0162 0.0000 174.6778 17 I 3.7189 7.2077 120.8765 63.3068 37.5216 175.3920 18 T 3.9465 7.7141 116.1364 64.2172 70.0457 173.0141 19 G 3.5314 7.4854 110.7774 44.4015 0.0000 172.0555 20 T 4.7237 7.6058 116.0397 61.5631 70.7108 174.4857 21 W 4.8441 8.3006 124.0652 54.9353 33.6410 173.7833 22 Y 5.4522 9.3080 120.7495 56.6089 40.9982 175.5842 23 N 5.3652 8.9518 120.2704 50.9807 39.8363 174.2087 24 Q 4.3802 8.4392 114.1089 57.3899 29.4388 176.2767 25 L 4.1725 8.2444 118.2527 55.5862 41.9470 177.6731 26 G 4.1244 8.5385 106.0887 44.8977 0.0000 173.8920 27 S 4.8092 8.1815 115.8444 58.5913 64.8186 173.2224 28 T 5.0142 9.1370 118.9731 61.7584 72.4847 173.0416 29 F 5.1353 9.0735 120.3064 54.9688 41.7161 173.6551 30 I 4.7765 8.4879 122.3305 59.5611 39.4004 175.0097 31 V 4.8818 8.4845 126.2918 60.0818 35.3681 174.5195 32 T 4.7549 9.1992 119.6539 61.8267 70.9760 173.4189 33 A 4.6264 8.7799 130.0854 50.3443 18.6669 177.3714 34 G 3.7730 9.4500 111.0851 45.9904 0.0000 173.3410 35 A 4.2336 8.5790 122.8684 53.7167 18.5878 178.0398 36 D 4.7239 8.0663 114.6377 52.9638 39.8646 177.5627 37 G 3.1787 7.8964 106.7791 45.8889 0.0000 173.8716 38 A 4.5252 7.8022 121.8924 51.6969 20.0174 176.7156 39 L 5.1984 8.7972 122.6046 53.5867 45.1778 175.4154 40 T 4.9542 9.2001 115.9515 59.7824 72.7128 174.6121 41 G 4.3902 7.0271 107.3749 46.3845 0.0000 171.3660 42 T 5.1964 7.6730 115.0451 61.8524 73.0151 172.3815 43 Y 4.9997 9.6613 126.0073 56.0384 41.8609 174.2220 44 E 5.2708 9.3546 127.3030 53.6293 30.2923 176.5124 45 S 4.8143 9.3750 120.3024 60.6258 63.9137 174.3783 *49 N 4.3846 8.1092 118.0203 52.9647 38.6925 173.9226 50 A 4.1042 7.8870 125.8703 54.2147 19.1039 179.9460 51 E 2.6870 7.8795 114.5057 58.7495 29.2595 177.7721 52 S 5.0271 8.0684 113.6460 58.1139 64.2697 173.6391 53 R 5.0311 8.0943 117.8418 55.2823 30.7407 175.4872 54 Y 4.8359 9.4687 119.9545 55.8333 42.0340 175.0725 55 V 4.1991 8.5927 122.9915 62.8502 32.6461 174.9952 56 L 5.0520 9.2169 128.3150 54.4366 43.3382 175.2484 57 T 5.0088 8.8217 115.2216 61.2734 71.5762 173.0616 58 G 4.5707 8.8816 113.8660 46.1908 0.0000 171.7661 59 R 5.5857 9.0991 117.7423 54.8658 34.7363 174.2420 60 Y 5.2311 8.8508 119.0557 55.2097 41.5209 175.1093 61 D 4.3493 9.2016 121.0139 54.3779 39.7631 177.0315 62 S 4.0312 7.9413 120.1528 59.6633 63.5744 175.0122 63 A 4.6708 8.0252 123.6882 49.7733 18.5116 173.7045 64 P 4.7468 0.0000 0.0000 60.7063 32.7962 177.3835 65 A 4.2167 8.3989 122.2992 52.8940 18.8032 177.4948 66 T 4.5715 8.4025 108.8407 61.6261 69.0541 174.3509 67 D 4.6678 8.0956 119.3252 53.8026 39.5049 177.0101 68 G 4.0375 8.3508 106.8102 45.6442 0.0000 174.3400 69 S 4.3717 7.6914 115.6755 57.9031 63.5290 174.3680 70 G 3.9868 8.3816 111.0611 46.3905 0.0000 172.7495 71 T 4.7514 8.8027 116.6055 61.6376 69.7824 175.0041 72 A 4.7706 8.6944 129.1845 52.6627 19.7961 175.8207 73 L 5.0337 8.9077 119.4601 55.4902 44.4125 174.0103 74 G 5.1480 9.1748 106.1955 45.2053 0.0000 171.9381 75 W 5.9510 8.2186 118.1401 55.1161 32.5678 173.5162 76 T 5.2646 9.8084 117.1922 61.7944 72.1340 173.3980 77 V 4.4890 9.2342 124.1839 60.9381 34.5815 173.9149 78 A 4.5687 8.2870 129.6811 49.4848 20.0211 178.0002 79 W 3.9439 8.4325 127.7711 56.0863 28.1461 176.2094 80 K 5.3169 7.7638 118.5004 54.7494 35.2566 174.8407 81 N 4.6979 8.9428 121.9980 52.3794 39.1642 174.4222 82 N 4.1135 7.8105 114.0451 55.1452 39.0648 174.5966 83 Y 4.5949 6.6555 114.3567 58.8070 39.9499 175.7279 84 R 4.7530 8.5270 114.2978 54.3148 32.5666 174.1382 85 N 5.1667 8.3955 116.1007 52.7731 40.4258 173.5789 86 A 4.2636 8.9391 128.7121 51.9939 19.5119 176.2682 87 H 4.2158 9.0429 113.6313 56.0110 26.8864 173.6060 88 S 5.1487 7.5137 110.9836 57.7454 66.9928 173.6714 89 A 5.0197 9.1687 121.2569 50.7462 22.7647 175.2449 90 T 4.8909 9.2893 119.0078 61.6807 71.9812 173.2161 91 T 4.9018 8.3065 115.6592 59.6181 71.6932 172.9565 92 W 4.9391 8.8789 124.6692 54.8400 32.2350 174.7625 93 S 4.7742 8.5571 117.9854 56.8623 65.0664 172.3871 94 G 4.4592 9.1497 114.9023 46.8652 0.0000 171.7205 95 Q 5.2927 8.7422 119.1399 55.2153 32.7092 173.5988 96 Y 4.7768 9.4104 123.7934 57.3643 40.5749 174.2397 97 V 3.9747 8.2418 126.5099 60.8243 34.0703 175.5032 98 G 3.8820 7.9901 116.1917 45.1220 0.0000 171.0651 99 G 3.9873 8.9730 105.4205 44.0016 0.0000 174.0630 100 A 4.0583 8.5065 121.2600 54.0780 18.4337 177.6824 101 E 4.4451 7.8740 116.5099 54.3928 28.9248 174.1215 102 A 5.3255 8.3039 124.6227 50.5462 20.1392 176.4365 103 R 5.3833 8.4881 115.6089 55.4344 33.7425 173.8006 104 I 4.8475 8.8274 121.3103 59.9023 39.3989 174.4739 105 N 5.3847 8.9344 126.0262 52.4240 40.2553 174.7188 106 T 5.3037 9.1209 112.7086 60.3058 73.1427 172.5607 107 Q 5.1313 8.8997 122.0025 53.8948 32.0639 174.7022 108 W 5.1920 8.3464 119.4968 54.5275 32.5540 174.0214 109 L 5.1067 8.5119 119.1836 53.0318 44.9387 175.5071 110 L 4.9139 9.6033 127.5606 53.9008 43.7687 174.9867 111 T 5.0118 9.2017 123.9720 61.9617 71.0267 173.7493 112 S 5.0788 8.8289 122.8503 56.4903 65.2358 174.4016 113 G 3.8400 8.9105 111.9391 46.6614 0.0000 173.0783 114 T 4.7731 8.3410 114.9989 59.6483 72.3718 173.3719 115 T 4.4489 8.0062 112.3049 60.5188 69.8810 175.5817 116 E 3.9602 8.6456 120.2400 59.3231 29.5041 178.8960 117 A 4.3846 7.9753 118.9378 53.2779 19.0556 177.1146 118 N 4.8640 8.0488 112.1587 52.5716 39.7404 176.3732 119 A 4.2686 7.9683 121.2342 53.7805 18.6041 179.6895 120 W 4.3705 8.2319 112.0957 58.1053 28.6047 177.0428 121 K 3.9312 6.9369 117.3897 56.1286 32.0899 177.3507 122 S 4.1145 7.5761 116.3051 61.0008 63.2543 173.6286 123 T 5.0348 7.4469 116.5402 61.8209 71.3320 173.4253 124 L 4.7131 9.3271 127.7965 53.5236 43.7210 176.3232 125 V 4.4759 7.8303 121.1480 60.3412 34.4494 175.1037 126 G 2.9953 6.4779 107.5116 45.8720 0.0000 171.3878 127 H 5.3139 8.0009 113.6196 54.1803 31.8592 172.6124 128 D 5.0940 9.4992 118.6916 53.1413 45.7566 174.4307 129 T 5.3007 8.4908 117.5828 61.9534 71.5834 173.2231 130 F 5.6679 9.3445 123.6573 56.2596 42.6924 174.4830 131 T 5.4758 9.6007 118.1029 62.1052 72.3383 175.3440 132 K 3.3724 8.8518 122.8821 56.8177 32.7240 177.5085 133 V 3.6595 7.8118 122.1443 63.2286 32.2198 171.1576 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 16 G 8.25 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 17 I 7.21 3.72 1.39 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.07 0.60 0.00 0.00 18 T 7.71 3.95 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 1.19 0.00 0.00 19 G 7.49 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 0.00 0.00 0.00 20 T 7.61 4.72 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 0.60 0.00 0.00 21 W 8.30 4.84 0.00 1.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.31 5.45 0.00 3.00 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 23 N 8.95 5.37 0.00 2.57 1.97 0.00 0.00 6.89 6.81 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 24 Q 8.44 4.38 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 25 L 8.24 4.17 0.00 1.92 1.83 1.03 1.24 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 26 G 8.54 4.12 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 0.00 27 S 8.18 4.81 0.00 4.18 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 28 T 9.14 5.01 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 1.06 0.00 0.00 29 F 9.07 5.14 0.00 2.78 2.41 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 30 I 8.49 4.78 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.67 0.80 0.00 0.00 31 V 8.48 4.88 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 0.59 0.00 0.00 0.80 0.00 0.00 32 T 9.20 4.75 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 1.18 0.00 0.00 33 A 8.78 4.63 0.61 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 0.00 0.00 34 G 9.45 3.77 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 0.00 0.00 0.00 35 A 8.58 4.23 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 36 D 8.07 4.72 0.00 2.77 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 37 G 7.90 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 0.00 0.00 0.00 38 A 7.80 4.53 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.80 5.20 0.00 2.04 1.62 0.79 0.64 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 40 T 9.20 4.95 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 1.22 0.00 0.00 41 G 7.03 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.67 5.20 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 1.35 0.00 0.00 43 Y 9.66 5.00 0.00 2.76 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 44 E 9.35 5.27 0.00 2.07 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 2.28 2.20 0.00 45 S 9.37 4.81 0.00 3.97 4.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.38 0.00 2.80 2.81 0.00 0.00 7.12 8.17 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 50 A 7.89 4.10 1.27 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 0.00 0.00 0.00 51 E 7.88 2.69 0.00 1.73 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 0.00 1.47 1.92 0.00 52 S 8.07 5.03 0.00 4.00 4.06 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 53 R 8.09 5.03 0.00 1.83 2.11 0.00 3.03 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 54 Y 9.47 4.84 0.00 2.87 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 55 V 8.59 4.20 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 0.79 0.00 0.00 0.93 0.00 0.00 56 L 9.22 5.05 0.00 1.67 1.67 0.55 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.82 5.01 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 1.24 0.00 0.00 58 G 8.88 4.57 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 0.00 0.00 0.00 59 R 9.10 5.59 0.00 1.72 1.87 0.00 3.28 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 Y 8.85 5.23 0.00 3.07 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 61 D 9.20 4.35 0.00 2.81 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 62 S 7.94 4.03 0.00 3.88 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.67 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 64 P 0.00 4.75 0.00 2.29 2.18 0.00 3.46 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.40 4.22 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 66 T 8.40 4.57 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 1.25 0.00 0.00 67 D 8.10 4.67 0.00 2.82 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 68 G 8.35 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 69 S 7.69 4.37 0.00 3.92 3.84 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 70 G 8.38 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 71 T 8.80 4.75 4.53 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 1.50 0.00 0.00 72 A 8.69 4.77 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 73 L 8.91 5.03 0.00 2.14 1.95 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.17 5.15 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 75 W 8.22 5.95 0.00 3.32 3.17 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 76 T 9.81 5.26 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 1.24 0.00 0.00 77 V 9.23 4.49 1.48 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 -0.44 0.00 0.00 0.74 0.00 0.00 78 A 8.29 4.57 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 79 W 8.43 3.94 0.00 3.27 2.82 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 0.00 0.00 0.00 0.00 80 K 7.76 5.32 0.00 1.90 1.70 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.41 7.81 81 N 8.94 4.70 0.00 2.60 2.57 0.00 0.00 6.83 6.58 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 82 N 7.81 4.11 0.00 1.63 2.53 0.00 0.00 6.59 7.46 0.00 0.00 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 Y 6.66 4.59 0.00 2.86 3.22 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 84 R 8.53 4.75 0.00 2.04 2.11 0.00 3.04 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 85 N 8.40 5.17 0.00 2.66 2.62 0.00 0.00 6.91 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 86 A 8.94 4.26 1.27 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 0.00 0.00 0.00 87 H 9.04 4.22 0.00 3.32 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.51 5.15 0.00 4.01 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 89 A 9.17 5.02 1.15 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 90 T 9.29 4.89 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 -0.73 0.00 0.00 91 T 8.31 4.90 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 1.14 0.00 0.00 92 W 8.88 4.94 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.56 4.77 0.00 3.82 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.15 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.74 5.29 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 96 Y 9.41 4.78 0.00 3.01 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 97 V 8.24 3.97 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 0.84 0.00 0.00 0.91 0.00 0.00 98 G 7.99 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 99 G 8.97 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 0.00 100 A 8.51 4.06 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 0.00 101 E 7.87 4.45 0.00 1.93 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 2.21 2.25 0.00 102 A 8.30 5.33 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 5.38 0.00 2.09 2.24 0.00 2.99 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 104 I 8.83 4.85 1.93 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 1.00 -0.14 1.21 0.00 0.00 105 N 8.93 5.38 0.00 2.74 2.81 0.00 0.00 6.08 7.12 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 0.00 106 T 9.12 5.30 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 107 Q 8.90 5.13 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 108 W 8.35 5.19 0.00 2.65 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 0.00 0.00 0.00 0.00 109 L 8.51 5.11 0.00 1.53 1.53 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.60 4.91 0.00 1.62 1.68 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.20 5.01 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 1.19 0.00 0.00 112 S 8.83 5.08 0.00 3.79 3.73 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 0.00 113 G 8.91 3.84 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 0.00 0.00 0.00 114 T 8.34 4.77 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 1.23 0.00 0.00 115 T 8.01 4.45 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 1.21 0.00 0.00 116 E 8.65 3.96 0.00 2.04 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 0.00 2.41 2.26 0.00 117 A 7.98 4.38 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 0.00 118 N 8.05 4.86 0.00 2.93 2.70 0.00 0.00 6.78 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.97 4.27 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 0.00 120 W 8.23 4.37 0.00 3.56 3.22 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 0.00 121 K 6.94 3.93 0.00 0.90 0.74 0.00 1.36 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.84 0.87 7.81 122 S 7.58 4.11 0.00 4.14 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 0.00 123 T 7.45 5.03 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 0.00 124 L 9.33 4.71 0.00 1.78 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.83 4.48 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 0.56 0.00 0.00 0.70 0.00 0.00 126 G 6.48 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.00 5.31 0.00 3.24 3.11 0.00 5.67 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 0.00 128 D 9.50 5.09 0.00 2.92 2.34 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 0.00 129 T 8.49 5.30 4.31 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 1.40 0.00 0.00 130 F 9.34 5.67 0.00 3.09 3.22 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 0.00 131 T 9.60 5.48 4.60 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 0.00 0.00 1.34 0.00 0.00 132 K 8.85 3.37 0.00 1.52 1.58 0.00 1.60 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.35 7.81 133 V 7.81 3.66 2.01 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 0.46 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.