NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.5282 8.2893 120.3251 54.6212 34.3983 176.5842 7 I 4.2928 6.9469 113.3634 57.6765 38.2893 170.4200 8 P 4.3287 0.0000 0.0000 62.9433 31.6815 178.3921 9 G 3.8191 8.3385 113.1728 44.6237 0.0000 170.6679 10 G 3.8573 8.4967 109.0578 45.1058 0.0000 172.5602 11 L 3.5659 8.0103 122.7527 54.8281 41.8499 176.9402 12 S 4.5949 7.5092 117.5586 56.2989 65.6425 173.0229 13 E 4.0026 8.5333 121.4510 56.8948 29.9366 175.6703 14 A 4.3068 8.2181 122.3861 50.5039 19.4387 177.5114 15 K 4.2183 7.8230 122.7240 55.7067 33.4853 175.3654 16 P 4.8448 0.0000 0.0000 62.6751 31.7809 175.8644 17 A 4.1709 8.4963 126.3967 52.6991 19.7279 176.2457 18 T 4.4853 7.6370 106.4342 59.3828 71.2212 172.3810 19 P 4.2975 0.0000 0.0000 65.7564 31.3270 177.7168 20 E 3.9105 8.4074 120.1021 58.8214 29.7408 178.3993 21 I 3.4304 7.2786 119.3138 64.4470 37.3643 178.0841 22 Q 4.0221 8.0398 119.8502 58.6055 28.6864 178.0371 23 E 3.8865 7.6757 120.8537 59.1554 29.7345 178.3510 24 I 3.5082 7.6385 120.1392 64.4740 37.1119 178.8233 25 V 3.5856 7.5402 119.3683 64.7902 31.1117 177.4642 26 D 4.3593 8.1009 116.9526 55.4658 41.1648 176.8211 27 K 4.3310 7.8596 118.1747 57.2689 33.1597 177.1928 28 V 4.3178 7.2966 110.7295 60.6300 32.5674 177.2417 29 K 3.8315 8.2839 121.2208 59.5679 32.3636 177.2663 30 P 4.4827 0.0000 0.0000 65.5052 31.3880 178.1739 31 Q 4.1741 7.9045 115.8282 57.7910 28.4309 177.6044 32 L 3.9857 7.7849 120.2875 56.6212 41.5194 178.5290 33 E 4.8200 7.8226 119.5428 58.9955 29.3698 178.8142 34 E 4.3616 7.5863 113.6691 56.9267 30.0325 177.4301 35 K 4.4509 7.3150 118.1316 56.4731 32.3736 175.7314 36 T 4.5348 8.1987 105.7771 65.1373 70.2993 173.1754 37 N 3.9104 6.5667 119.3016 51.1220 38.5109 173.2426 38 E 4.4619 7.9314 118.0404 56.1784 32.6415 173.2742 39 T 4.5140 7.9198 114.9380 62.0998 70.4235 174.1771 40 Y 4.2045 8.2408 124.6096 56.7147 39.8931 173.8551 *43 G 4.4850 7.9986 107.8891 45.3582 0.0000 171.6103 44 K 3.7451 8.2062 116.3795 56.6967 32.8258 176.5427 45 L 5.4504 8.2237 125.7960 52.4181 40.6438 175.7273 46 E 4.7709 8.5564 120.8241 55.1473 28.1169 175.1990 47 A 4.2613 8.4727 124.2055 52.7194 19.0754 176.7216 48 V 4.4436 9.0911 118.9862 64.1988 34.6347 175.1522 49 Q 5.3364 7.9066 116.0490 55.6669 32.5162 172.7504 50 Y 5.1942 8.8451 115.2092 56.3817 41.8927 173.3811 51 K 4.5746 9.1595 123.7002 55.0398 33.6463 175.5433 52 T 5.1368 8.2287 114.8469 60.0432 72.1291 172.8968 53 Q 4.8175 8.2150 120.3910 55.0812 32.7376 173.0960 54 V 4.3942 7.6948 117.4637 61.8049 34.4950 176.0257 55 V 4.0427 8.3177 121.9703 62.1661 37.8060 173.6804 56 A 4.8921 10.3004 125.5389 50.6569 21.6269 180.1763 57 G 4.3484 7.4763 113.8092 47.3988 0.0000 176.6439 58 T 4.1227 7.1992 125.1279 63.3806 72.3151 172.8042 59 N 4.7150 8.1595 125.1030 53.3671 40.2172 173.7915 60 Y 5.2075 8.7239 115.3465 57.5341 43.0901 174.2368 61 Y 5.8042 9.3382 118.6808 55.7040 42.8291 174.8196 62 I 5.0055 8.4909 124.1394 60.1827 41.7983 174.0696 63 K 4.5098 9.3791 130.5779 56.0847 32.6944 175.3571 64 V 4.8112 8.3874 127.7525 60.7759 34.2749 175.0318 65 R 3.7052 8.7846 126.8328 55.4739 30.9408 176.9220 66 A 4.0525 7.9654 128.5950 53.5957 17.6258 179.2110 67 G 3.5801 8.1602 111.2523 46.8506 0.0000 177.3483 68 D 4.3967 8.4551 123.3382 53.0831 40.0624 176.9498 *92 N 4.6955 8.4381 114.6417 53.5968 40.8058 175.4926 93 K 4.4176 7.5984 115.8928 57.2607 33.5822 175.2373 94 Y 5.0167 7.8393 117.0704 56.9176 42.6578 175.0334 95 M 4.7799 8.9346 119.5469 55.2002 35.5294 173.8625 96 H 5.0837 9.2847 124.4354 55.9740 30.5005 174.4367 97 L 5.2023 8.9545 121.8026 53.3573 45.9996 175.4024 98 K 5.2273 8.4864 125.0554 53.7424 34.6083 174.8079 99 V 5.5453 8.2933 126.7509 60.4970 35.1477 173.6440 100 F 5.0686 8.6773 125.3445 56.2007 42.6467 173.2829 101 K 4.9185 8.1040 127.2917 54.7363 33.6017 177.3107 102 S 4.9670 8.7705 126.4758 58.9385 63.1726 173.7462 102A L 3.4664 7.9709 121.1235 53.6849 41.0508 172.9346 103 P 4.5359 0.0000 0.0000 62.8801 31.3502 177.5010 104 G 4.1418 8.5450 114.4937 44.8118 0.0000 174.0326 105 Q 3.0012 8.6566 119.5731 56.5791 28.0863 172.6858 105A N 3.7794 8.7483 116.9354 55.3638 38.2418 173.5036 106 E 4.2262 8.5578 120.4119 57.8126 30.2603 175.7666 107 D 4.6710 8.0332 118.4981 52.7591 42.3335 175.3246 108 L 4.2221 8.8581 121.1710 54.5460 41.1119 173.4047 109 V 4.3575 7.6501 115.9002 61.1498 34.6077 173.0747 110 L 4.8808 8.3511 124.7820 53.9379 40.5953 176.4622 111 T 3.7588 9.2671 113.6473 62.5032 69.5357 174.9840 112 G 3.5126 6.6193 108.1207 47.6566 0.0000 171.2317 113 Y 5.3910 7.1768 122.5321 57.4969 39.4851 173.1003 114 Q 4.6886 8.4860 122.9537 54.3585 29.1064 175.6747 115 V 4.1167 8.5856 124.1107 61.7504 33.1666 175.5210 115A D 4.4403 8.8965 118.6406 54.8907 40.3245 172.9206 116 K 4.1980 7.7179 118.4950 55.2119 33.0245 176.7115 117 N 5.0100 8.3988 123.5931 51.3504 39.2925 175.7955 118 K 3.3886 8.3517 118.5959 59.5547 32.1397 177.2195 119 D 4.2895 8.1031 116.4156 57.2129 40.9430 176.1095 120 D 4.4563 7.4500 117.5036 53.6156 39.5045 174.7523 121 E 4.1279 8.2552 126.1606 55.4505 30.4945 177.0065 122 L 3.8490 8.1766 125.5567 56.2091 42.4923 179.0335 123 T 3.1226 7.8441 108.3511 61.8815 70.1567 170.8110 124 G 3.5917 9.2504 106.6930 48.5145 0.0000 172.7206 125 F 5.2646 9.4969 123.7543 58.3738 39.4739 174.2556 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 6 M 8.29 4.53 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 7 I 6.95 4.29 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 0.48 0.90 0.00 0.00 8 P 0.00 4.33 0.00 2.15 2.12 0.00 3.73 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 1.95 1.93 0.00 9 G 8.34 3.82 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 0.00 0.00 0.00 10 G 8.50 3.86 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 0.00 0.00 0.00 11 L 8.01 3.57 0.00 1.37 1.46 0.83 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.51 4.59 0.00 3.66 3.71 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 13 E 8.53 4.00 0.00 1.88 1.84 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 2.24 2.34 0.00 14 A 8.22 4.31 1.21 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 0.00 0.00 0.00 15 K 7.82 4.22 0.00 0.79 1.77 0.00 1.24 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.43 1.31 7.81 16 P 0.00 4.84 0.00 2.15 2.13 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 17 A 8.50 4.17 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 18 T 7.64 4.49 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 1.15 0.00 0.00 19 P 0.00 4.30 0.00 2.25 2.32 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 20 E 8.41 3.91 0.00 2.00 1.86 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 2.27 2.33 0.00 21 I 7.28 3.43 1.70 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.36 0.83 0.00 0.00 22 Q 8.04 4.02 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 E 7.68 3.89 0.00 2.18 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 2.25 2.29 0.00 24 I 7.64 3.51 1.88 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 0.66 0.29 0.71 0.00 0.00 25 V 7.54 3.59 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 0.93 0.00 0.00 0.90 0.00 0.00 26 D 8.10 4.36 0.00 2.73 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 27 K 7.86 4.33 0.00 1.92 1.81 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.46 7.81 28 V 7.30 4.32 2.02 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 0.80 0.00 0.00 0.95 0.00 0.00 29 K 8.28 3.83 0.00 1.97 2.21 0.00 1.47 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.49 7.81 30 P 0.00 4.48 0.00 2.28 2.33 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 31 Q 7.90 4.17 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 32 L 7.78 3.99 0.00 1.60 1.01 0.64 -0.30 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 33 E 7.82 4.82 0.00 2.23 2.02 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 2.33 2.38 0.00 34 E 7.59 4.36 0.00 2.00 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 0.00 2.30 2.30 0.00 35 K 7.31 4.45 0.00 1.86 1.76 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.57 7.81 36 T 8.20 4.53 4.44 0.00 0.00 0.00 0.00 0.00 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 37 N 6.57 3.91 0.00 2.94 3.20 0.00 0.00 6.94 7.57 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 38 E 7.93 4.46 0.00 1.81 1.90 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 1.84 1.47 0.00 39 T 7.92 4.51 4.15 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 1.18 0.00 0.00 40 Y 8.24 4.20 0.00 2.99 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 *43 G 8.00 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.21 3.75 0.00 1.75 1.78 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.58 7.81 45 L 8.22 5.45 0.00 1.49 1.60 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.56 4.77 0.00 1.91 1.94 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 2.41 2.16 0.00 47 A 8.47 4.26 1.26 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 0.00 0.00 0.00 48 V 9.09 4.44 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.15 0.00 0.00 49 Q 7.91 5.34 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 50 Y 8.85 5.19 0.00 3.40 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 51 K 9.16 4.57 0.00 1.66 1.34 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.35 7.81 52 T 8.23 5.14 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 1.35 0.00 0.00 53 Q 8.21 4.82 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 54 V 7.69 4.39 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 0.69 0.00 0.00 0.95 0.00 0.00 55 V 8.32 4.04 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 0.73 0.00 0.00 0.86 0.00 0.00 56 A 10.30 4.89 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 57 G 7.48 4.35 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 0.00 58 T 7.20 4.12 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 0.78 0.00 0.00 59 N 8.16 4.72 0.00 2.68 2.80 0.00 0.00 7.07 7.49 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 60 Y 8.72 5.21 0.00 3.01 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 61 Y 9.34 5.80 0.00 3.14 2.99 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 62 I 8.49 5.01 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.14 1.08 0.00 0.00 63 K 9.38 4.51 0.00 1.99 1.81 0.00 1.49 0.00 0.00 1.08 0.00 0.00 2.62 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.46 1.26 7.81 64 V 8.39 4.81 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 1.09 0.00 0.00 1.13 0.00 0.00 65 R 8.78 3.71 0.00 1.68 1.38 0.00 3.17 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 66 A 7.97 4.05 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 67 G 8.16 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 68 D 8.46 4.40 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 *92 N 8.44 4.70 0.00 2.74 2.95 0.00 0.00 7.42 6.74 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 93 K 7.60 4.42 0.00 2.28 1.74 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.52 7.81 94 Y 7.84 5.02 0.00 3.06 2.84 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 95 M 8.93 4.78 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 96 H 9.28 5.08 0.00 3.30 3.07 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.95 5.20 0.00 1.84 1.57 0.92 0.57 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 98 K 8.49 5.23 0.00 0.79 1.08 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.67 0.21 7.81 99 V 8.29 5.55 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 1.23 0.00 0.00 0.87 0.00 0.00 100 F 8.68 5.07 0.00 3.18 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 0.00 101 K 8.10 4.92 0.00 2.29 1.67 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.79 7.81 102 S 8.77 4.97 0.00 4.01 3.93 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 102A L 7.97 3.47 0.00 1.82 1.69 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.54 0.00 2.19 2.10 0.00 3.81 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 2.00 1.98 0.00 104 G 8.54 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 0.00 0.00 0.00 105 Q 8.66 3.00 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 5.82 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 105A N 8.75 3.78 0.00 2.78 2.73 0.00 0.00 6.76 7.66 0.00 0.00 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 E 8.56 4.23 0.00 1.96 1.90 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 2.32 2.31 0.00 107 D 8.03 4.67 0.00 2.71 2.59 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 0.00 108 L 8.86 4.22 0.00 1.71 1.63 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.65 4.36 2.12 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 0.78 0.00 0.00 0.93 0.00 0.00 110 L 8.35 4.88 0.00 1.78 1.61 1.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.27 3.76 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 1.35 0.00 0.00 112 G 6.62 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.18 5.39 0.00 3.17 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 0.00 114 Q 8.49 4.69 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.70 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 115 V 8.59 4.12 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 1.04 0.00 0.00 1.31 0.00 0.00 115A D 8.90 4.44 0.00 2.86 2.80 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 0.00 116 K 7.72 4.20 0.00 2.08 1.51 0.00 1.58 0.00 0.00 1.93 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.63 7.81 117 N 8.40 5.01 0.00 2.96 3.01 0.00 0.00 5.94 6.46 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 0.00 118 K 8.35 3.39 0.00 1.25 1.67 0.00 1.71 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.01 1.00 7.81 119 D 8.10 4.29 0.00 2.61 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 0.00 120 D 7.45 4.46 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.26 4.13 0.00 1.93 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 2.24 2.29 0.00 122 L 8.18 3.85 0.00 1.75 1.74 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.84 3.12 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 1.12 0.00 0.00 124 G 9.25 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 0.00 0.00 0.00 125 F 9.50 5.26 0.00 3.15 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 * Residues marked with a * may have inaccurate shift predictions.