NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4913 8.1933 116.7828 57.8862 64.6271 172.7066 22 S 4.4984 7.8205 116.1257 55.8882 66.1479 171.5042 23 P 5.0879 0.0000 0.0000 61.5336 31.4529 176.5754 24 S 4.2517 8.7256 119.2807 58.8448 61.1192 172.4059 25 E 3.5436 8.9273 128.4100 56.7255 25.6902 176.2252 26 G 4.1428 8.0799 111.1648 46.7095 0.0000 172.6295 27 L 4.8216 8.3228 119.3399 54.4892 43.5316 175.4447 28 C 5.3637 8.8828 116.6415 54.1948 42.7515 172.5723 29 P 2.0000 0.0000 0.0000 61.0508 32.4403 173.5986 30 P 4.3201 0.0000 0.0000 64.6306 31.5556 176.2294 31 G 4.3672 8.7631 113.2150 43.3227 0.0000 172.0060 32 H 5.5562 7.5552 115.5223 55.0590 33.2131 171.8979 33 H 5.3958 8.8548 112.7474 54.8748 31.8675 173.3414 34 I 3.9487 8.1122 120.8098 61.4657 39.1173 174.7398 35 S 4.7363 8.2771 119.4338 56.4590 65.5526 175.2171 36 E 3.8362 9.0093 122.8584 59.5845 29.2835 178.4370 37 D 4.3064 7.9888 116.0927 54.4016 40.0639 175.6028 38 G 3.6920 7.8657 106.8062 46.7901 0.0000 173.3215 39 R 4.3917 8.0258 116.0303 57.1651 33.2182 176.0712 40 D 5.5766 7.2770 114.2750 52.1305 43.8943 176.1628 41 C 4.9261 8.3257 118.3875 55.1583 39.6299 173.2956 42 I 4.0761 8.0341 124.8372 61.0453 37.9925 175.6395 43 S 5.0149 8.5257 120.4168 57.7498 65.1454 174.0488 44 C 5.1380 8.4195 118.9797 54.9939 38.9594 174.1435 45 K 4.0318 8.8714 123.6207 56.5923 32.2886 175.8791 46 Y 3.9442 8.6501 118.7828 59.1431 38.4222 176.1718 47 G 4.7934 8.5603 112.9768 46.9893 0.0000 174.8905 48 Q 4.5710 7.6693 115.8238 55.0364 32.9817 176.2796 49 D 4.8535 7.0444 112.7351 55.9314 43.3722 173.9132 50 Y 5.0795 7.3344 115.7007 58.3533 40.3500 171.4942 51 S 4.7814 7.9760 112.8797 58.0600 65.1915 174.8206 52 T 4.3491 8.6071 115.7930 61.2568 69.0169 173.9007 53 H 4.8177 7.5821 116.5266 55.0743 32.6445 173.3954 54 W 4.0759 9.0266 122.0646 56.8444 29.4164 175.4081 55 N 5.4107 8.1873 123.0992 52.5100 39.3066 175.1734 56 D 4.8569 8.1919 115.9600 52.9457 39.6413 175.3055 57 L 4.2474 8.0890 120.1957 55.7061 42.2781 177.8960 58 L 4.2205 8.4648 121.5558 55.6944 41.9605 176.6671 59 F 4.5707 7.4778 115.9752 56.0277 42.9656 173.9461 60 C 4.7010 8.4856 120.4249 55.3664 37.5668 173.2475 61 L 3.7710 8.0810 123.4243 55.0856 42.0928 176.9223 62 R 4.1730 8.3997 124.2110 56.2193 30.7199 176.2222 63 C 5.1206 8.4695 120.6046 56.3838 41.4116 174.0484 64 T 4.3212 9.1218 120.0260 63.5339 68.8662 174.3739 65 R 4.6631 8.0191 120.8822 54.7224 33.8411 176.3379 66 C 4.8173 8.7285 119.7733 56.5942 42.2799 172.4706 67 D 5.1228 8.6462 120.9431 50.8798 41.8708 175.2538 68 S 4.1457 8.3538 114.0151 59.8167 63.4632 175.1682 69 G 3.9421 9.3176 110.8287 45.1695 0.0000 172.3156 70 E 4.9692 7.9820 119.5562 54.1198 32.5150 174.8181 71 V 4.4376 8.8351 118.8882 59.0062 34.5577 174.6552 72 E 4.0119 8.9128 126.6450 56.9747 29.9854 176.5174 73 L 4.5416 8.5406 128.5909 55.1900 43.6017 176.0688 74 S 4.5781 7.9005 109.0355 57.1299 65.2894 173.1670 75 P 4.7018 0.0000 0.0000 62.6714 32.3083 176.0709 76 C 4.6807 8.8523 121.9045 55.7042 43.6248 172.9908 77 T 4.2302 8.6921 116.7736 61.2143 69.4121 175.2749 78 T 4.1518 7.6499 115.9493 63.1707 68.0786 174.7827 79 T 4.9670 6.8392 111.0222 60.0826 68.4224 174.2590 80 R 4.3307 7.2555 124.7030 56.7945 33.4739 173.1173 81 N 4.7487 7.9715 125.6452 53.6216 39.9745 174.0637 82 T 4.5851 8.3856 111.7129 60.8636 70.2514 173.8977 83 V 4.4381 8.6813 123.7281 61.4943 33.7475 173.7466 84 C 5.3470 8.8404 124.4727 55.3844 41.4566 172.9409 85 Q 4.6562 8.4108 121.6647 54.2361 32.5863 173.5513 86 C 4.6347 8.7774 121.5717 57.4050 39.5758 173.6744 87 E 4.1054 9.1152 123.1503 56.0914 30.9604 175.0737 88 E 4.2775 8.4495 120.0975 56.5611 30.0533 176.7557 89 G 4.1210 8.9004 111.4437 45.3787 0.0000 173.4723 90 T 5.0889 7.3544 108.5583 59.8095 72.1613 173.1510 91 F 4.8982 9.0284 117.4488 55.5287 41.9128 173.7182 92 R 4.9463 7.5856 118.6618 57.3894 32.6352 174.2591 93 E 5.0754 8.2451 117.1214 56.1030 32.0302 178.1797 94 E 4.1083 8.9940 119.7538 58.5921 29.7838 177.3327 95 D 4.8215 8.6025 117.9826 54.2191 42.0242 176.7800 96 S 4.6460 7.6247 113.3894 56.5598 62.8106 172.1558 97 P 4.6644 0.0000 0.0000 63.4232 31.9031 176.7084 98 E 4.4188 7.9528 120.2905 57.6060 30.7757 175.6512 99 M 4.6850 7.4015 115.4895 53.7625 35.9779 175.3634 100 C 4.5436 8.4358 119.5701 56.1381 40.1903 173.4266 101 R 4.0604 7.9214 124.1426 55.2423 30.8098 176.7679 102 K 4.0533 8.5902 123.0599 56.9991 32.6060 175.9834 *116 D 4.3241 8.5254 122.5897 53.8638 42.1661 174.5552 117 C 4.3000 8.3932 124.7201 59.5241 32.5173 172.6931 118 T 4.6850 8.2497 114.4633 59.3917 71.7286 173.0077 119 P 4.0551 0.0000 0.0000 63.6831 30.8679 178.0559 120 W 5.4154 7.7745 115.8149 56.5288 31.7385 174.4890 121 S 4.3313 8.1727 111.7351 57.3410 65.1683 174.1730 122 D 3.9925 7.5006 121.9384 52.6116 42.0217 176.2561 123 I 3.9226 7.7841 114.5951 61.1744 37.3764 175.8709 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 21 S 8.19 4.49 0.00 3.87 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 22 S 7.82 4.50 0.00 3.88 3.74 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 23 P 0.00 5.09 0.00 2.09 2.16 0.00 3.75 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 24 S 8.73 4.25 0.00 3.97 4.07 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 25 E 8.93 3.54 0.00 2.24 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 0.00 2.27 2.27 0.00 26 G 8.08 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 27 L 8.32 4.82 0.00 2.13 2.12 1.11 0.99 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 28 C 8.88 5.36 0.00 2.75 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 29 P 0.00 2.00 0.00 1.74 1.55 0.00 3.36 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 30 P 0.00 4.32 0.00 1.85 2.10 0.00 3.26 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 31 G 8.76 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 0.00 0.00 0.00 0.00 32 H 7.56 5.56 0.00 2.93 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.85 5.40 0.00 3.33 3.31 0.00 5.54 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 34 I 8.11 3.95 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.94 0.00 0.00 35 S 8.28 4.74 0.00 3.94 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 36 E 9.01 3.84 0.00 1.83 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 2.27 2.36 0.00 37 D 7.99 4.31 0.00 2.81 2.78 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 38 G 7.87 3.69 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 0.00 0.00 0.00 39 R 8.03 4.39 0.00 2.17 1.90 0.00 3.16 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 40 D 7.28 5.58 0.00 2.34 2.58 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 41 C 8.33 4.93 0.00 2.69 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 42 I 8.03 4.08 1.46 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 1.20 0.49 0.85 0.00 0.00 43 S 8.53 5.01 0.00 3.79 3.87 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 44 C 8.42 5.14 0.00 2.79 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 45 K 8.87 4.03 0.00 1.83 1.82 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.52 7.81 46 Y 8.65 3.94 0.00 3.07 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 47 G 8.56 4.79 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 0.00 0.00 0.00 48 Q 7.67 4.57 0.00 1.76 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.42 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 49 D 7.04 4.85 0.00 2.69 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 50 Y 7.33 5.08 0.00 3.12 3.25 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 51 S 7.98 4.78 0.00 3.87 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 52 T 8.61 4.35 4.09 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 0.92 0.00 0.00 53 H 7.58 4.82 0.00 3.20 3.30 0.00 5.70 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 54 W 9.03 4.08 0.00 3.35 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 55 N 8.19 5.41 0.00 2.88 2.98 0.00 0.00 6.09 8.38 0.00 0.00 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 D 8.19 4.86 0.00 2.79 2.77 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 57 L 8.09 4.25 0.00 1.95 1.67 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.46 4.22 0.00 1.47 1.09 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.48 4.57 0.00 2.81 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 60 C 8.49 4.70 0.00 2.81 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 61 L 8.08 3.77 0.00 0.76 1.37 1.11 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.40 4.17 0.00 1.70 1.78 0.00 3.00 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.46 0.00 63 C 8.47 5.12 0.00 2.94 3.08 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 0.00 0.00 0.00 0.00 64 T 9.12 4.32 4.30 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 1.24 0.00 0.00 65 R 8.02 4.66 0.00 1.74 1.78 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 66 C 8.73 4.82 0.00 2.96 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 67 D 8.65 5.12 0.00 2.76 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 68 S 8.35 4.15 0.00 3.98 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 69 G 9.32 3.94 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 0.00 0.00 0.00 70 E 7.98 4.97 0.00 2.12 1.74 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 2.35 2.20 0.00 71 V 8.84 4.44 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 0.68 0.00 0.00 0.90 0.00 0.00 72 E 8.91 4.01 0.00 2.06 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 2.40 2.34 0.00 73 L 8.54 4.54 0.00 1.67 1.82 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.90 4.58 0.00 3.90 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 75 P 0.00 4.70 0.00 2.23 2.26 0.00 3.92 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 2.12 1.88 0.00 76 C 8.85 4.68 0.00 3.12 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 77 T 8.69 4.23 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 1.28 0.00 0.00 78 T 7.65 4.15 3.52 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 0.92 0.00 0.00 79 T 6.84 4.97 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 1.15 0.00 0.00 80 R 7.26 4.33 0.00 1.78 1.69 0.00 3.12 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.24 0.00 81 N 7.97 4.75 0.00 2.60 2.66 0.00 0.00 7.27 7.70 0.00 0.00 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 T 8.39 4.59 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 1.32 0.00 0.00 83 V 8.68 4.44 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 1.08 0.00 0.00 0.95 0.00 0.00 84 C 8.84 5.35 0.00 2.87 2.95 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 85 Q 8.41 4.66 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 86 C 8.78 4.63 0.00 2.85 2.97 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 87 E 9.12 4.11 0.00 1.99 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 2.28 2.32 0.00 88 E 8.45 4.28 0.00 1.96 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 2.28 2.32 0.00 89 G 8.90 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 90 T 7.35 5.09 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 1.19 0.00 0.00 91 F 9.03 4.90 0.00 3.09 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 92 R 7.59 4.95 0.00 1.86 1.95 0.00 3.38 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 93 E 8.25 5.08 0.00 2.24 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 2.23 2.19 0.00 94 E 8.99 4.11 0.00 2.15 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 0.00 2.32 2.37 0.00 95 D 8.60 4.82 0.00 3.07 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 96 S 7.62 4.65 0.00 3.83 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 97 P 0.00 4.66 0.00 2.21 2.20 0.00 3.74 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 98 E 7.95 4.42 0.00 1.90 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 2.19 2.35 0.00 99 M 7.40 4.68 0.00 1.92 1.83 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 2.46 2.46 0.00 100 C 8.44 4.54 0.00 2.77 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 0.00 101 R 7.92 4.06 0.00 0.96 1.60 0.00 2.99 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.20 0.00 102 K 8.59 4.05 0.00 1.67 1.80 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.44 7.81 *116 D 8.53 4.32 0.00 2.66 2.62 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 0.00 0.00 0.00 117 C 8.39 4.30 0.00 2.94 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 0.00 118 T 8.25 4.69 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 1.35 0.00 0.00 119 P 0.00 4.06 0.00 0.49 1.45 0.00 2.20 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.65 0.00 120 W 7.77 5.42 0.00 3.40 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 0.00 121 S 8.17 4.33 0.00 3.91 4.02 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 0.00 122 D 7.50 3.99 0.00 2.00 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 0.00 123 I 7.78 3.92 1.84 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 1.12 0.67 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.