NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7729 8.4444 116.3375 55.6307 29.9172 172.4148 1 M 4.2983 8.8167 128.9242 56.8686 32.8999 174.7671 2 S 4.5275 10.0582 111.6214 57.8610 62.1200 167.6991 3 F 4.9578 7.6299 114.9533 55.9604 42.9575 173.3599 4 F 4.8004 8.5409 120.9467 57.7367 41.7337 173.3026 5 N 4.4647 7.4054 125.8036 52.2994 40.2137 173.2722 6 K 4.5329 8.0335 126.5856 54.5712 35.3194 174.9697 7 I 4.5932 9.0417 127.3498 59.1706 41.3846 173.9002 8 I 5.0093 8.3082 128.5460 59.5760 40.1148 174.6939 9 L 4.7674 9.0190 126.6640 52.7932 45.8454 175.7168 10 I 4.9198 8.2910 122.4002 59.7894 39.9983 174.8329 11 G 4.2251 8.8366 113.2396 45.2642 0.0000 171.6884 12 R 4.9274 8.4920 118.3178 55.4073 31.3652 176.3904 13 L 4.8341 8.9564 122.9338 55.0389 42.1840 178.1205 14 V 4.6795 8.5920 117.0819 62.3701 32.4761 175.9139 15 R 4.7430 7.7631 115.0543 54.5324 32.4471 174.5256 16 D 4.6581 8.6243 119.6309 53.6121 41.4521 174.9545 17 P 4.7082 0.0000 0.0000 63.1289 32.6960 175.4584 18 E 4.5191 9.1297 122.0298 54.7514 31.1441 174.9161 19 E 4.3727 8.5786 126.3295 56.0486 31.0263 176.7682 20 R 4.4124 7.7249 121.9327 56.1237 32.8565 171.2273 21 Y 4.9087 8.0849 121.0746 57.3657 38.6230 176.0810 22 T 4.2656 9.8033 116.2942 62.7895 70.9677 176.5958 23 L 3.4024 7.5870 119.3832 58.3076 42.4002 177.7567 *26 T 4.5589 7.4921 112.3197 63.1426 70.6492 171.9013 27 P 4.9145 0.0000 0.0000 62.4009 33.0756 174.9995 28 V 4.5727 8.3612 123.4886 61.2497 34.6928 174.1981 29 T 5.7565 8.6629 123.5937 60.9016 71.9540 173.1006 30 T 5.1803 8.1898 115.3776 60.1969 72.1720 172.6093 31 F 5.2272 8.3587 116.1490 56.4514 41.9308 172.5769 32 T 5.6409 8.9022 109.9925 59.3064 71.7007 172.8206 33 I 5.1330 8.6036 117.2798 59.4089 41.4057 173.9738 34 A 4.2455 9.1246 126.3279 50.6871 20.7835 176.2585 35 V 4.2415 8.5677 124.6119 61.1988 32.0919 174.5275 36 D 4.7344 8.2562 124.8796 52.4668 40.3729 177.2200 37 R 3.9401 7.8884 120.2839 59.0542 31.0343 176.6626 *49 T 4.1841 7.3491 111.3194 62.4321 68.9835 172.0990 50 T 4.7667 8.3965 121.5876 62.0707 71.1563 173.4993 51 D 4.8144 8.3282 123.5336 52.6042 43.4155 175.2518 52 F 5.1765 8.5057 121.7592 55.8159 41.3294 175.1886 53 F 4.8097 8.8201 120.8163 55.3778 42.6506 174.1826 54 R 4.2969 8.7953 124.5932 56.5042 31.1142 174.8788 55 I 4.5236 9.2275 129.2359 59.8979 39.0012 174.9671 56 V 4.6718 8.9231 127.3032 61.1670 34.1536 174.4271 57 T 5.0647 8.6406 117.0886 59.9760 72.0799 172.7482 58 F 5.0778 8.4063 120.3245 56.1881 43.4119 175.7440 59 G 4.0361 9.1841 111.4157 47.2871 0.0000 177.4697 60 R 4.1488 8.6819 121.1344 61.3300 29.2550 176.1514 61 L 4.2746 8.0058 119.0790 58.1877 42.2138 178.4409 62 A 4.5688 7.5879 121.9364 54.6990 18.2881 179.3927 63 E 3.9504 8.5636 117.1053 59.6704 29.6436 179.3071 64 F 4.3815 9.2963 121.5484 61.5322 39.3135 176.6666 65 A 3.5843 8.5871 120.5689 55.0398 17.9962 179.3022 66 R 3.7126 7.9459 116.3594 59.7113 30.3560 178.4699 67 T 3.9815 7.5711 106.2772 63.0644 69.1503 174.6916 68 Y 4.5431 7.2693 117.0743 58.5775 40.5997 176.1467 69 L 4.4386 8.1749 120.2337 54.2960 42.0857 176.1968 70 T 4.7244 8.1625 113.9567 59.7618 72.0994 173.9494 71 K 3.9853 8.9605 124.2943 56.3483 32.2408 176.7146 72 G 4.4003 10.1534 111.7927 45.4891 0.0000 174.6765 73 R 4.0583 7.2721 118.9365 56.9223 31.3850 175.1616 74 L 5.0348 9.1644 128.1571 54.1371 43.5561 175.5676 75 V 5.0439 9.0590 119.7193 59.4325 35.9680 174.4392 76 L 4.8891 9.0030 125.9510 54.2850 43.7563 175.4606 77 V 4.8958 9.2148 125.8247 61.0407 34.6372 173.4769 78 E 4.9288 8.6194 128.8318 54.2477 32.0141 174.1974 79 G 4.7270 8.2723 114.4046 46.4923 0.0000 171.7551 80 E 5.0492 8.7823 122.9357 54.6193 33.2379 175.4492 81 M 4.3017 9.0989 124.0943 54.6336 32.8208 175.4655 82 R 4.3072 9.0553 127.0467 55.3357 31.8232 176.7455 83 M 5.1945 8.3119 124.1759 53.7356 30.1823 174.6280 84 R 4.2769 8.6390 117.6253 55.5037 31.7444 178.5135 85 R 4.4422 8.3171 123.4116 54.4209 32.3865 175.2842 *93 K 3.8315 8.2470 117.1285 56.7210 32.4539 176.1314 94 R 4.2506 8.2835 124.3019 54.2141 31.5007 174.2316 95 V 3.7714 8.4907 126.1447 63.8000 32.2914 174.9551 96 S 4.7804 10.2373 124.2127 55.8032 64.4969 171.0403 97 P 5.2193 0.0000 0.0000 62.3162 31.9355 175.2444 98 E 4.9253 9.0716 123.9511 54.2659 34.0714 175.3729 99 V 5.0725 8.6257 123.3112 61.0224 33.0207 175.4072 100 V 4.4725 8.3619 129.3430 62.1749 32.0787 174.5981 101 A 4.8100 8.8383 131.5061 51.7925 18.7673 176.6953 102 N 4.7827 9.5587 119.0424 53.3575 39.7128 175.0022 103 V 4.6238 7.5362 119.2686 61.1946 35.4357 173.9334 104 V 5.3125 8.1850 126.1254 60.4718 34.1798 174.2594 105 R 4.5813 8.3688 126.7780 53.8839 33.0172 175.7401 106 F 4.7754 8.4961 121.6766 58.7906 39.1255 174.7553 107 M 4.5182 9.3478 122.7574 56.9422 33.5604 176.0934 108 D 4.5025 8.0694 121.1084 53.5404 39.8059 175.8551 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 H 8.44 4.77 0.00 3.29 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.82 4.30 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.94 0.00 2 S 10.06 4.53 0.00 3.82 3.90 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 3 F 7.63 4.96 0.00 3.07 2.93 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 4 F 8.54 4.80 0.00 2.88 2.93 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 5 N 7.41 4.46 0.00 2.58 2.49 0.00 0.00 6.73 6.68 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 6 K 8.03 4.53 0.00 0.87 1.46 0.00 1.70 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.46 7.81 7 I 9.04 4.59 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.48 0.84 0.00 0.00 8 I 8.31 5.01 1.84 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 1.32 0.76 0.88 0.00 0.00 9 L 9.02 4.77 0.00 1.34 1.25 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.29 4.92 1.87 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 1.28 0.60 0.98 0.00 0.00 11 G 8.84 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 12 R 8.49 4.93 0.00 1.85 2.11 0.00 3.32 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 13 L 8.96 4.83 0.00 1.74 1.64 0.78 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.59 4.68 2.23 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 0.93 0.00 0.00 1.22 0.00 0.00 15 R 7.76 4.74 0.00 1.78 1.88 0.00 3.04 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 16 D 8.62 4.66 0.00 2.57 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 17 P 0.00 4.71 0.00 2.04 1.95 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 18 E 9.13 4.52 0.00 1.88 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 2.22 2.23 0.00 19 E 8.58 4.37 0.00 1.77 1.62 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 1.76 1.47 0.00 20 R 7.72 4.41 0.00 1.86 1.85 0.00 3.16 0.00 0.00 3.14 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 21 Y 8.08 4.91 0.00 2.93 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 22 T 9.80 4.27 4.33 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 1.35 0.00 0.00 23 L 7.59 3.40 0.00 1.74 1.86 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 *26 T 7.49 4.56 4.33 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 1.30 0.00 0.00 27 P 0.00 4.91 0.00 2.18 2.22 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 28 V 8.36 4.57 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 0.41 0.00 0.00 1.01 0.00 0.00 29 T 8.66 5.76 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 1.27 0.00 0.00 30 T 8.19 5.18 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 1.10 0.00 0.00 31 F 8.36 5.23 0.00 3.08 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 32 T 8.90 5.64 4.43 0.00 0.00 0.00 0.00 0.00 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 33 I 8.60 5.13 2.05 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 1.40 0.88 1.23 0.00 0.00 34 A 9.12 4.25 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 35 V 8.57 4.24 2.48 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 1.06 0.00 0.00 0.97 0.00 0.00 36 D 8.26 4.73 0.00 2.77 2.57 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 37 R 7.89 3.94 0.00 1.87 1.98 0.00 3.26 0.00 0.00 3.16 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 *49 T 7.35 4.18 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 1.22 0.00 0.00 50 T 8.40 4.77 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 0.56 0.00 0.00 51 D 8.33 4.81 0.00 2.82 2.13 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 52 F 8.51 5.18 0.00 2.81 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 53 F 8.82 4.81 0.00 3.01 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 54 R 8.80 4.30 0.00 1.90 1.83 0.00 3.16 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 55 I 9.23 4.52 0.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.37 0.50 0.00 0.00 56 V 8.92 4.67 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 0.75 0.00 0.00 0.96 0.00 0.00 57 T 8.64 5.06 4.40 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 1.38 0.00 0.00 58 F 8.41 5.08 0.00 3.04 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 59 G 9.18 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 60 R 8.68 4.15 0.00 1.83 1.96 0.00 3.25 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 61 L 8.01 4.27 0.00 1.82 1.93 0.87 1.21 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 62 A 7.59 4.57 1.42 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 0.00 0.00 0.00 63 E 8.56 3.95 0.00 2.26 2.13 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 2.46 2.63 0.00 64 F 9.30 4.38 0.00 3.02 3.32 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 65 A 8.59 3.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 3.71 0.00 1.71 1.92 0.00 3.22 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 67 T 7.57 3.98 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 1.17 0.00 0.00 68 Y 7.27 4.54 0.00 2.43 3.12 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 69 L 8.17 4.44 0.00 1.30 1.27 0.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.16 4.72 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 1.16 0.00 0.00 71 K 8.96 3.99 0.00 1.74 1.66 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.28 7.81 72 G 10.15 4.40 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 0.00 73 R 7.27 4.06 0.00 2.00 2.05 0.00 3.01 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 74 L 9.16 5.03 0.00 1.86 1.58 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.06 5.04 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 0.76 0.00 0.00 1.10 0.00 0.00 76 L 9.00 4.89 0.00 1.69 1.52 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.21 4.90 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 0.93 0.00 0.00 1.05 0.00 0.00 78 E 8.62 4.93 0.00 2.04 1.73 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 2.16 2.20 0.00 79 G 8.27 4.73 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 0.00 0.00 0.00 80 E 8.78 5.05 0.00 1.82 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 2.31 2.11 0.00 81 M 9.10 4.30 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 82 R 9.06 4.31 0.00 1.88 1.83 0.00 3.27 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 83 M 8.31 5.19 0.00 1.87 1.99 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 2.50 2.45 0.00 84 R 8.64 4.28 0.00 1.90 2.07 0.00 2.77 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 85 R 8.32 4.44 0.00 1.81 1.93 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 *93 K 8.25 3.83 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 94 R 8.28 4.25 0.00 1.68 1.78 0.00 3.30 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 95 V 8.49 3.77 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 0.80 0.00 0.00 0.93 0.00 0.00 96 S 10.24 4.78 0.00 3.92 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 97 P 0.00 5.22 0.00 2.13 2.09 0.00 3.49 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 98 E 9.07 4.93 0.00 1.92 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 2.22 0.00 99 V 8.63 5.07 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 0.76 0.00 0.00 0.90 0.00 0.00 100 V 8.36 4.47 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 1.07 0.00 0.00 1.01 0.00 0.00 101 A 8.84 4.81 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 0.00 102 N 9.56 4.78 0.00 2.72 3.07 0.00 0.00 6.13 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 0.00 103 V 7.54 4.62 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 0.89 0.00 0.00 0.89 0.00 0.00 104 V 8.19 5.31 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 1.32 0.00 0.00 1.14 0.00 0.00 105 R 8.37 4.58 0.00 1.76 1.76 0.00 3.15 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 106 F 8.50 4.78 0.00 3.03 2.93 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 0.00 107 M 9.35 4.52 0.00 1.88 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 108 D 8.07 4.50 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.