NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.1412 8.3149 120.1186 55.3762 33.6596 175.6313 21 R 3.7085 7.8522 116.9527 56.1776 30.8478 175.9919 22 F 4.7525 9.3678 119.4358 55.9686 42.0564 174.0926 23 E 4.7298 8.6276 125.0144 53.7799 32.0416 176.5488 24 V 3.7595 8.4597 123.0784 63.2709 32.0401 175.3525 25 K 4.5180 8.4829 125.7574 56.5645 34.3724 175.9938 26 K 4.4367 7.8257 117.0715 55.1203 34.9328 173.8113 27 W 4.6857 8.9132 135.0000 55.6085 32.8990 174.6372 28 N 4.4931 7.2331 123.1586 51.3240 37.7144 173.7854 29 A 4.3783 7.9675 125.3458 51.2365 19.8422 177.1681 30 V 4.3440 8.2132 119.6213 61.0102 34.2867 174.6670 31 A 4.7470 8.4510 128.5094 50.2849 22.1543 174.8598 32 L 4.5536 8.2435 119.9046 52.3448 42.5111 176.8106 33 W 4.0010 8.8446 134.2109 57.5223 31.0233 174.9892 34 A 3.7831 7.2748 127.0867 49.8554 21.5399 175.4157 35 W 4.0923 7.8931 122.1926 56.5018 28.9112 175.9003 36 D 4.5020 8.6108 123.1827 54.1752 41.3897 175.1996 37 I 4.2543 8.1044 123.1108 59.9423 37.9447 175.5618 38 V 4.4067 8.3483 125.6450 61.2768 32.7770 175.6753 39 V 4.3716 8.3155 126.4153 61.4178 31.5596 174.4210 40 D 4.9079 7.9628 118.6929 53.3867 43.8848 174.0617 41 N 4.8987 8.0783 118.5174 51.1452 40.7656 175.0218 42 C 4.0054 8.3859 120.6846 59.3971 30.6666 174.2960 43 A 4.1087 8.4221 130.6054 54.1252 18.3493 178.1410 44 I 3.8761 7.7886 115.9786 62.9346 37.8261 176.5614 45 C 4.4577 7.8518 110.6539 56.9795 30.9293 173.1781 46 R 3.8387 8.3585 118.9686 57.6144 27.5189 175.1934 47 N 4.9844 7.3826 113.1764 51.1291 43.1447 174.3021 48 H 4.4550 8.5327 117.1415 56.4911 28.9901 177.6225 49 I 3.5086 7.5805 127.8544 61.0376 36.7402 175.6909 *51 D 4.5167 7.7885 120.4822 54.3944 41.7848 175.4118 52 L 4.3795 8.2875 119.8640 54.9868 42.9142 176.0829 53 C 4.3120 8.0952 115.6635 56.9442 31.3174 174.5616 54 I 3.7658 8.0564 119.7204 65.0329 36.8278 177.2569 55 E 4.0657 8.3741 120.2249 57.7538 28.9469 178.0453 56 C 3.9343 8.2165 122.6629 63.3767 28.7083 175.9429 57 Q 4.0462 7.8526 120.1315 59.4269 28.7645 177.4995 58 A 4.3358 7.8913 120.3508 52.6744 19.3455 176.6023 59 N 3.8862 7.3926 111.4804 52.7287 39.0033 175.6265 60 Q 4.1360 8.5806 122.3041 55.8879 29.1792 175.8747 61 A 4.3597 8.2931 123.1951 52.6509 19.8747 178.1761 62 S 4.5927 7.5887 112.2088 58.6536 67.0517 178.4156 63 A 4.2675 8.8411 120.9712 56.4110 18.3816 179.1625 64 T 4.4383 7.6193 106.4695 60.8699 69.8663 180.8025 65 S 4.5541 7.4295 115.5088 58.8413 62.7836 174.4246 66 E 4.1973 7.8925 117.9623 56.4102 30.4672 175.9574 67 E 3.9129 8.3994 117.6312 56.9404 29.7829 176.9193 68 C 4.4468 8.3341 120.4047 57.9054 31.5537 173.4029 69 T 4.3599 7.9392 122.4548 62.0580 70.1609 174.3848 70 V 4.4429 7.8143 115.0782 60.1137 33.7981 175.6003 71 A 5.0395 8.6618 123.7308 50.0508 22.3148 175.2658 72 W 5.1619 9.0744 119.1764 54.9419 33.3262 175.1069 73 G 3.8796 8.6492 110.7710 43.4849 0.0000 173.5831 74 V 3.8719 8.0977 117.6213 64.0466 31.3998 176.0978 75 C 4.3889 8.0905 112.2949 58.5314 30.2581 174.2386 76 N 4.6204 8.2756 116.9569 53.9091 36.4694 174.0925 77 H 4.4732 7.7642 115.4909 55.4278 29.7391 174.2224 78 A 4.9022 7.2131 122.0748 50.8284 21.1369 175.6398 79 F 4.5119 8.2073 120.6148 56.2832 42.6720 175.5229 80 H 4.0307 8.5681 115.2485 56.4256 29.0641 174.4195 81 F 4.5189 8.9608 118.6014 61.0576 40.8721 178.6708 82 H 4.6249 8.1990 117.2428 58.9493 28.7742 176.6519 83 C 4.4925 8.2302 114.2060 60.9767 28.3415 174.3572 84 I 4.1420 7.6294 120.5686 62.4405 38.2084 177.4662 85 S 4.4130 8.0329 115.5600 61.9544 62.5896 176.7600 86 R 4.3720 7.7885 115.4988 56.4775 30.0103 176.4646 87 W 4.9728 8.7931 129.1796 56.2612 31.3310 175.4867 88 L 4.7630 7.9361 115.3148 55.3354 46.6993 178.3620 89 K 4.4961 8.1048 115.3789 57.9397 33.4836 176.1130 90 T 4.5425 7.5014 116.0344 63.0253 70.1083 176.7851 91 R 3.7752 8.6235 135.0000 57.8979 29.5530 176.1158 92 Q 4.6467 8.3147 126.4079 55.9216 29.3557 176.2834 93 V 4.6126 7.4537 108.8037 59.4134 36.2286 175.3990 94 C 3.8621 8.6232 122.8809 58.4457 31.4029 171.9041 95 P 4.7084 0.0000 0.0000 60.8489 28.2510 174.6817 96 L 4.9718 7.2193 135.0000 56.5865 43.2943 174.0342 97 D 4.6611 7.7640 116.4146 54.8948 40.5114 176.4209 98 N 3.8575 7.6642 114.3948 55.5443 35.3661 175.6888 99 R 4.4395 7.3229 120.6571 55.3638 32.1817 173.8139 100 E 4.1254 7.9098 121.9139 53.0997 31.2249 176.8125 101 W 5.0826 8.9375 133.2818 58.2026 32.0171 175.2083 102 E 4.3630 7.4605 124.4624 55.5236 33.4052 175.5609 103 F 4.2755 8.4338 123.4626 56.3419 40.4395 176.1457 104 Q 4.3668 7.9790 118.7841 55.1875 29.6753 175.2265 105 K 4.2150 8.4341 121.8548 56.6984 33.1991 175.0541 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 20 K 8.31 4.14 0.00 1.62 1.73 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.36 7.81 21 R 7.85 3.71 0.00 1.81 1.88 0.00 3.33 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 1.62 1.64 0.00 22 F 9.37 4.75 0.00 3.00 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 23 E 8.63 4.73 0.00 1.94 1.85 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 2.21 2.26 0.00 24 V 8.46 3.76 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 0.86 0.00 0.00 0.83 0.00 0.00 25 K 8.48 4.52 0.00 1.76 1.82 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 26 K 7.83 4.44 0.00 1.75 1.67 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.43 7.81 27 W 8.91 4.69 0.00 3.38 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 28 N 7.23 4.49 0.00 2.28 2.50 0.00 0.00 7.04 7.35 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 29 A 7.97 4.38 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 30 V 8.21 4.34 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 0.84 0.00 0.00 0.89 0.00 0.00 31 A 8.45 4.75 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 32 L 8.24 4.55 0.00 1.65 1.66 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.84 4.00 0.00 3.16 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 34 A 7.27 3.78 0.99 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 35 W 7.89 4.09 0.00 3.15 3.02 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 36 D 8.61 4.50 0.00 2.62 2.65 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 I 8.10 4.25 1.89 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 0.73 0.92 0.00 0.00 38 V 8.35 4.41 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 0.84 0.00 0.00 1.17 0.00 0.00 39 V 8.32 4.37 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 0.78 0.00 0.00 0.90 0.00 0.00 40 D 7.96 4.91 0.00 2.62 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 0.00 0.00 0.00 0.00 41 N 8.08 4.90 0.00 2.69 2.66 0.00 0.00 6.85 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 42 C 8.39 4.01 0.00 3.02 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 43 A 8.42 4.11 1.24 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 0.00 0.00 0.00 44 I 7.79 3.88 1.76 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.31 0.80 0.00 0.00 45 C 7.85 4.46 0.00 3.01 2.96 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 46 R 8.36 3.84 0.00 1.89 1.99 0.00 3.08 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 47 N 7.38 4.98 0.00 2.73 2.61 0.00 0.00 6.97 8.16 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 48 H 8.53 4.45 0.00 3.31 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.58 3.51 1.70 0.00 0.00 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 1.16 0.63 0.60 0.00 0.00 *51 D 7.79 4.52 0.00 2.83 2.72 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 52 L 8.29 4.38 0.00 1.64 1.60 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.10 4.31 0.00 2.93 2.75 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 0.00 0.00 0.00 54 I 8.06 3.77 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.49 0.90 0.00 0.00 55 E 8.37 4.07 0.00 2.01 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 2.42 2.37 0.00 56 C 8.22 3.93 0.00 2.97 3.07 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 0.00 0.00 0.00 57 Q 7.85 4.05 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 A 7.89 4.34 1.29 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 0.00 0.00 0.00 59 N 7.39 3.89 0.00 2.88 2.79 0.00 0.00 6.89 7.69 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 60 Q 8.58 4.14 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 61 A 8.29 4.36 1.24 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 0.00 0.00 0.00 62 S 7.59 4.59 0.00 3.66 3.76 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 63 A 8.84 4.27 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 64 T 7.62 4.44 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 65 S 7.43 4.55 0.00 3.94 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 66 E 7.89 4.20 0.00 2.07 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 2.26 2.27 0.00 67 E 8.40 3.91 0.00 2.09 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 0.00 2.27 2.28 0.00 68 C 8.33 4.45 0.00 2.96 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 69 T 7.94 4.36 4.47 0.00 0.00 0.00 0.00 0.00 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 70 V 7.81 4.44 1.47 0.00 0.00 0.00 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 0.47 0.00 0.00 71 A 8.66 5.04 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 72 W 9.07 5.16 0.00 3.46 3.23 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 73 G 8.65 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 74 V 8.10 3.87 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 0.82 0.00 0.00 0.88 0.00 0.00 75 C 8.09 4.39 0.00 3.17 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 76 N 8.28 4.62 0.00 2.98 3.15 0.00 0.00 6.98 7.60 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 77 H 7.76 4.47 0.00 3.09 2.60 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.21 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.21 4.51 0.00 2.77 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 80 H 8.57 4.03 0.00 3.02 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.96 4.52 0.00 3.28 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 82 H 8.20 4.62 0.00 3.33 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 C 8.23 4.49 0.00 2.99 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 84 I 7.63 4.14 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.99 0.61 0.00 0.00 85 S 8.03 4.41 0.00 4.18 4.10 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 86 R 7.79 4.37 0.00 1.90 2.03 0.00 3.16 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 87 W 8.79 4.97 0.00 3.18 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 88 L 7.94 4.76 0.00 1.93 1.76 1.36 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.10 4.50 0.00 1.71 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.49 7.81 90 T 7.50 4.54 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 0.98 0.00 0.00 91 R 8.62 3.78 0.00 1.04 1.73 0.00 2.21 0.00 0.00 2.90 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.00 92 Q 8.31 4.65 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.41 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 93 V 7.45 4.61 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 0.80 0.00 0.00 1.02 0.00 0.00 94 C 8.62 3.86 0.00 2.85 3.02 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 95 P 0.00 4.71 0.00 1.70 1.74 0.00 3.06 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.00 96 L 7.22 4.97 0.00 1.65 1.78 0.49 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.76 4.66 0.00 2.88 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 98 N 7.66 3.86 0.00 2.85 3.29 0.00 0.00 6.80 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 99 R 7.32 4.44 0.00 1.95 1.87 0.00 3.32 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 100 E 7.91 4.13 0.00 2.15 2.03 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 2.33 2.29 0.00 101 W 8.94 5.08 0.00 3.26 3.07 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 0.00 0.00 0.00 102 E 7.46 4.36 0.00 1.74 1.67 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 2.50 2.29 0.00 103 F 8.43 4.28 0.00 2.77 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 0.00 104 Q 7.98 4.37 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.24 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 105 K 8.43 4.21 0.00 1.93 1.85 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.