NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 R 4.2458 8.2549 120.8564 55.9892 31.9107 175.6765 34 K 4.1863 7.6770 115.5704 53.9028 33.2930 173.3012 35 E 3.8655 8.7680 123.0536 56.2737 31.1076 175.5547 36 S 4.7290 8.1927 119.2715 56.9926 64.0975 173.1663 37 Y 4.9871 9.4237 124.0781 57.9397 38.8556 177.4677 38 S 4.2056 7.9268 117.8593 62.2093 62.8704 176.8434 39 I 3.6092 7.5589 121.4072 64.5773 36.6853 178.0171 40 Y 4.2424 7.3672 116.8354 61.0037 37.9275 177.7795 41 V 3.6926 8.3549 119.6240 66.4443 31.5652 177.4949 42 Y 4.0434 8.2198 118.9565 60.6037 38.5186 177.8254 43 K 3.8717 8.1759 119.5140 59.5984 32.1747 179.4664 44 V 3.5939 8.0930 118.5036 65.7818 31.3843 177.6226 45 L 3.8980 8.2107 120.5353 58.3544 41.3641 179.2858 46 K 3.8441 7.8469 117.9522 59.0825 31.6081 179.5310 47 Q 3.9842 7.5328 118.0034 58.9175 28.8032 178.3864 48 V 4.0244 7.5509 111.9338 62.7298 33.2150 176.3328 49 H 4.8379 8.2728 115.6450 52.7294 29.4674 171.7731 50 P 4.3795 0.0000 0.0000 64.2095 31.6146 177.1688 51 D 4.8676 8.0444 115.1897 54.0230 41.0907 175.5776 52 T 4.5408 7.6645 116.0119 61.7546 70.4830 174.6474 53 G 4.2261 8.3370 114.8494 44.1710 0.0000 172.1100 54 I 4.6005 7.9307 117.9407 58.1868 41.0816 175.9215 55 S 4.4376 8.4913 122.1831 58.1016 65.2182 175.2980 56 S 4.1797 8.5020 116.2914 61.3100 62.1907 176.4336 57 K 4.0326 8.0343 120.9029 59.2044 31.8992 179.0001 58 A 4.0280 7.9639 120.7938 55.2402 18.2354 179.2525 59 M 4.1424 8.6133 117.4052 58.7944 32.3373 178.6212 60 G 3.6800 8.2415 105.8408 47.8771 0.0000 175.7191 61 I 3.7803 7.6989 121.5779 64.4546 37.1013 178.4303 62 M 4.1966 8.1918 119.4762 58.5003 31.7943 178.4629 63 N 4.4973 8.4934 116.7018 56.6732 38.6868 177.5615 64 S 4.1934 8.1282 116.2466 61.4544 62.8255 176.5054 65 F 4.2687 8.5932 123.5193 61.4472 39.1231 177.2946 66 V 3.1399 7.9683 117.7917 65.8822 31.2102 177.6417 67 N 4.3189 8.1296 116.1523 56.3472 38.3388 176.7076 68 D 4.3127 8.3036 119.4700 57.5213 41.3425 178.2408 69 I 3.5446 7.6366 120.2298 64.2499 36.9884 177.8235 70 F 3.8651 8.3131 121.6985 61.7044 39.1265 177.0732 71 E 4.1565 8.6095 117.7840 59.5016 29.2709 179.6692 72 R 3.9198 8.3525 118.3467 59.3683 30.1973 179.2797 73 I 3.6238 7.8704 119.3058 64.2756 37.1326 178.3179 74 A 4.0161 8.1716 122.0725 55.1499 18.1952 179.9757 75 G 3.5499 8.2752 104.2544 47.8601 0.0000 175.6512 76 E 3.9445 8.2817 121.6155 58.9199 29.6618 178.6000 77 A 3.9719 8.4836 121.2950 55.1883 18.3434 179.6729 78 S 4.0101 8.2101 111.5452 61.5129 62.5103 176.3662 79 R 3.9281 7.9691 120.7682 59.3950 29.8986 178.7768 80 L 4.0928 8.1034 118.3256 58.0197 41.6632 179.5655 81 A 4.0040 8.0097 120.4318 55.4134 18.3249 179.2000 82 H 4.1184 8.2956 116.7438 59.6113 29.7674 176.7290 83 Y 4.4606 8.3804 120.5992 60.3595 38.5976 177.0219 84 N 4.5487 7.8936 114.0515 51.4433 39.3556 174.8120 85 K 3.7975 7.6929 118.5856 57.5072 30.4336 175.1434 86 R 4.5942 8.1819 116.5793 54.7236 31.8210 177.1547 87 S 4.5496 8.5687 115.2938 58.7323 63.8640 173.9251 88 T 4.5614 7.5369 117.6296 61.8408 70.9923 173.3323 89 I 4.1089 8.3217 126.8091 60.6536 37.9491 176.1094 90 T 4.5378 8.9380 117.2824 59.6539 72.3067 175.3203 91 S 4.1231 8.4705 115.1814 61.4523 62.5225 176.5271 92 R 3.8490 7.7847 122.5732 59.3312 29.7470 178.2646 93 E 3.9601 8.0610 117.9617 59.3681 29.4750 179.1313 94 I 3.5992 7.5469 119.3742 64.3481 37.1703 178.1808 95 Q 3.9081 8.2499 120.4901 59.6472 28.8753 178.5892 96 T 3.8603 8.0791 116.4801 66.4596 68.4681 176.5323 97 A 3.9578 8.2099 122.9253 55.1400 18.4199 179.7097 98 V 3.5161 7.9542 116.8444 66.4023 31.3348 178.5543 99 R 3.9728 7.7563 116.5431 59.0701 29.9253 178.7920 100 L 4.1306 7.9210 118.2068 57.6957 41.7454 178.9730 101 L 4.2331 7.8728 117.2673 55.4316 42.2896 177.2441 102 L 4.6031 7.2188 117.9517 52.4118 43.2858 175.3598 103 P 4.5580 0.0000 0.0000 62.4685 33.3690 177.5231 104 G 3.8073 8.7272 106.3954 48.3611 0.0000 175.5796 105 E 3.9288 8.0786 121.1964 58.8646 29.8605 178.3881 106 L 4.0944 7.9747 119.7240 58.0416 42.1342 178.5269 107 A 4.0068 8.4532 121.2547 54.9469 18.2801 179.3510 108 K 3.7397 7.8218 116.4996 60.2229 32.2025 179.0202 109 H 4.1415 7.7464 114.3516 58.9779 28.6909 177.8279 110 A 4.0128 8.0853 122.4831 55.1871 18.1560 179.8945 111 V 3.5257 8.2704 117.2742 66.0873 31.6061 178.2977 112 S 4.0987 8.1552 113.0633 61.3117 62.2214 176.0000 113 E 4.1015 8.4664 121.6136 59.1625 29.1672 179.5454 114 G 3.5445 8.2426 105.8449 48.1141 0.0000 175.8786 115 T 3.8648 8.0258 118.5964 66.1240 68.3770 176.6835 116 K 3.8730 8.1253 120.1170 59.6189 32.1152 179.1765 117 A 3.9891 7.9364 120.7504 55.1895 18.3000 179.9062 118 V 3.5747 7.8047 116.7982 66.3277 31.6728 178.3380 119 T 3.8876 8.1604 115.6837 66.6495 68.0872 176.7367 120 K 4.0015 8.1394 119.3683 59.7288 32.1912 178.6119 121 Y 4.1912 8.1296 118.6487 60.6668 38.7587 177.4291 122 T 4.2115 7.8260 115.6505 63.6402 69.1657 177.1499 123 S 4.7751 8.4294 119.2605 58.5318 62.5672 178.0063 124 S 4.1731 9.3126 135.0000 60.2624 61.6391 176.5056 *125 K 4.1570 8.1277 127.0451 54.4426 32.2212 172.6698 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 33 R 8.25 4.25 0.00 1.76 2.01 0.00 3.22 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 34 K 7.68 4.19 0.00 1.87 1.72 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.49 7.81 35 E 8.77 3.87 0.00 1.72 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 1.77 1.51 0.00 36 S 8.19 4.73 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.42 4.99 0.00 3.20 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 38 S 7.93 4.21 0.00 3.88 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 39 I 7.56 3.61 0.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.70 0.00 0.00 40 Y 7.37 4.24 0.00 3.33 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 41 V 8.35 3.69 2.36 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 1.17 0.00 0.00 1.15 0.00 0.00 42 Y 8.22 4.04 0.00 3.19 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 43 K 8.18 3.87 0.00 2.14 1.92 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.74 7.81 44 V 8.09 3.59 2.26 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 1.02 0.00 0.00 1.04 0.00 0.00 45 L 8.21 3.90 0.00 1.82 1.62 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.85 3.84 0.00 1.72 1.71 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 0.77 7.81 47 Q 7.53 3.98 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 48 V 7.55 4.02 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 0.79 0.00 0.00 0.92 0.00 0.00 49 H 8.27 4.84 0.00 3.16 3.13 0.00 5.83 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.38 0.00 2.02 2.10 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 51 D 8.04 4.87 0.00 2.65 2.67 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 52 T 7.66 4.54 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 1.17 0.00 0.00 53 G 8.34 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 0.00 0.00 0.00 0.00 54 I 7.93 4.60 1.94 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 1.52 0.93 1.06 0.00 0.00 55 S 8.49 4.44 0.00 4.09 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 56 S 8.50 4.18 0.00 3.90 3.89 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 57 K 8.03 4.03 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.51 7.81 58 A 7.96 4.03 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 59 M 8.61 4.14 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 60 G 8.24 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 0.00 0.00 0.00 61 I 7.70 3.78 2.06 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 1.54 0.67 0.92 0.00 0.00 62 M 8.19 4.20 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.98 0.00 63 N 8.49 4.50 0.00 2.95 2.99 0.00 0.00 7.06 7.41 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 64 S 8.13 4.19 0.00 4.17 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 65 F 8.59 4.27 0.00 3.06 3.28 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 66 V 7.97 3.14 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 -0.21 0.00 0.00 0.87 0.00 0.00 67 N 8.13 4.32 0.00 3.04 2.87 0.00 0.00 6.69 8.19 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 68 D 8.30 4.31 0.00 2.86 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 69 I 7.64 3.54 1.44 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 0.70 -0.21 0.72 0.00 0.00 70 F 8.31 3.87 0.00 3.09 3.13 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 71 E 8.61 4.16 0.00 2.25 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 0.00 2.39 2.50 0.00 72 R 8.35 3.92 0.00 1.94 1.96 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 73 I 7.87 3.62 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.78 0.00 0.00 74 A 8.17 4.02 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 75 G 8.28 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.94 0.00 2.10 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 2.29 2.36 0.00 77 A 8.48 3.97 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 78 S 8.21 4.01 0.00 3.96 4.05 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 79 R 7.97 3.93 0.00 2.15 1.98 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 80 L 8.10 4.09 0.00 1.90 1.78 0.93 0.96 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 81 A 8.01 4.00 1.40 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 0.00 0.00 82 H 8.30 4.12 0.00 3.25 3.50 0.00 5.60 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 83 Y 8.38 4.46 0.00 2.95 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 84 N 7.89 4.55 0.00 2.78 2.72 0.00 0.00 7.18 7.61 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 85 K 7.69 3.80 0.00 1.83 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.32 7.81 86 R 8.18 4.59 0.00 1.74 1.83 0.00 3.29 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 87 S 8.57 4.55 0.00 3.98 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 88 T 7.54 4.56 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 89 I 8.32 4.11 1.85 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 1.46 0.50 0.87 0.00 0.00 90 T 8.94 4.54 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 91 S 8.47 4.12 0.00 4.03 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 0.00 92 R 7.78 3.85 0.00 1.84 1.95 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 93 E 8.06 3.96 0.00 2.20 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 0.00 2.40 2.46 0.00 94 I 7.55 3.60 1.92 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 1.54 0.78 0.80 0.00 0.00 95 Q 8.25 3.91 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 96 T 8.08 3.86 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 1.23 0.00 0.00 97 A 8.21 3.96 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 98 V 7.95 3.52 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 1.00 0.00 0.00 0.91 0.00 0.00 99 R 7.76 3.97 0.00 1.98 1.97 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 100 L 7.92 4.13 0.00 1.77 1.72 0.95 0.85 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 0.00 101 L 7.87 4.23 0.00 1.67 1.71 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.22 4.60 0.00 1.80 1.59 0.91 0.82 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 0.00 103 P 0.00 4.56 0.00 2.27 2.19 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 104 G 8.73 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 0.00 0.00 0.00 105 E 8.08 3.93 0.00 2.06 1.97 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 2.43 2.37 0.00 106 L 7.97 4.09 0.00 1.83 1.84 0.96 1.07 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 0.00 107 A 8.45 4.01 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 0.00 108 K 7.82 3.74 0.00 1.94 1.76 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.59 7.81 109 H 7.75 4.14 0.00 3.37 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.09 4.01 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 0.00 111 V 8.27 3.53 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 0.97 0.00 0.00 0.94 0.00 0.00 112 S 8.16 4.10 0.00 3.94 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 0.00 113 E 8.47 4.10 0.00 2.03 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 2.53 2.48 0.00 114 G 8.24 3.54 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 0.00 0.00 0.00 115 T 8.03 3.86 4.37 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 1.21 0.00 0.00 116 K 8.13 3.87 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 117 A 7.94 3.99 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 0.00 118 V 7.80 3.57 2.08 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 1.05 0.00 0.00 0.89 0.00 0.00 119 T 8.16 3.89 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 1.22 0.00 0.00 120 K 8.14 4.00 0.00 1.91 1.92 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 121 Y 8.13 4.19 0.00 3.01 3.19 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 0.00 122 T 7.83 4.21 4.68 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 1.28 0.00 0.00 123 S 8.43 4.78 0.00 4.16 3.27 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 0.00 124 S 9.31 4.17 0.00 3.63 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 *125 K 8.13 4.16 0.00 1.70 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.18 0.91 7.81 * Residues marked with a * may have inaccurate shift predictions.