NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6723 8.1633 120.2781 55.2686 34.6187 174.1629 2 K 4.7581 8.8810 120.3528 53.9475 36.3299 174.0154 3 Q 4.5399 9.2464 128.3826 55.8909 30.9111 174.3514 4 V 4.9018 9.1687 126.8663 61.4679 34.0841 174.1989 5 T 5.2164 9.0335 124.2846 61.7178 71.7707 172.9791 6 A 5.0070 9.1003 126.9426 50.0809 23.0730 174.7836 7 I 4.9051 8.5954 122.2141 59.5623 39.8986 174.9905 8 I 5.1074 8.4815 119.7420 57.6022 41.9746 174.6740 9 K 4.4316 8.2873 121.1299 55.3649 33.0113 176.4090 10 P 4.2409 0.0000 0.0000 65.9793 31.0865 178.9483 11 F 4.4153 8.2266 110.7209 59.0818 38.2551 176.4880 12 K 3.9073 7.1719 118.0681 56.3901 31.9737 177.9733 13 L 3.8204 7.4758 121.8973 58.6864 41.9195 178.4344 14 D 4.3118 8.0299 116.9372 57.3158 41.2221 177.7089 15 E 3.9328 8.0721 119.4509 59.1482 29.6984 178.8120 16 V 3.5551 7.8392 118.4523 65.7541 31.4784 177.9307 17 R 3.8333 8.0776 118.5620 59.4886 29.8738 178.1828 18 E 3.8983 8.1375 119.0696 59.3410 28.3973 178.6953 19 S 4.0686 8.2172 113.2061 61.2041 62.2988 176.0800 20 L 4.3166 8.0161 121.6285 57.3572 41.4755 178.9893 21 A 3.9687 8.2416 121.0942 55.2117 18.0240 179.3284 22 E 3.9926 8.2089 116.5144 59.1219 29.5956 178.7964 23 V 4.1781 7.0149 115.3392 62.2688 31.7231 176.3241 24 G 3.7885 8.3010 105.3843 45.9898 0.0000 173.4543 25 V 4.2034 7.8550 120.1135 61.3192 31.8115 175.4985 26 T 4.5387 8.4038 116.0634 61.3089 70.7093 175.0469 27 G 3.8950 7.8374 112.7574 44.5504 0.0000 172.6801 28 L 4.5178 7.5166 120.2588 54.9146 43.5287 177.2332 29 T 4.5950 8.6037 119.5684 61.7469 71.1320 173.2169 30 V 4.8585 8.4748 126.1700 61.3670 33.8065 174.6800 31 T 4.7510 8.9564 124.1828 61.6983 72.2153 172.8686 32 E 4.6429 8.7605 124.8604 56.0887 30.5559 176.2378 33 V 4.6527 8.8398 116.3963 59.7577 36.8995 174.3651 34 K 4.8031 8.7091 120.7849 54.8253 34.6543 176.4515 35 G 3.7895 8.7007 111.4098 46.1281 0.0000 172.3320 *57 P 4.2845 0.0000 0.0000 62.2581 32.4398 175.3421 58 K 4.7895 8.7628 119.6758 54.7076 37.2501 174.8064 59 V 4.7586 8.7311 120.7676 61.1230 34.3957 173.9216 60 K 4.9056 9.0660 129.4934 55.0924 34.0439 174.8515 61 I 5.0550 8.7396 128.1403 59.5762 40.2139 174.4251 62 E 5.2709 9.2121 125.6091 54.9003 33.3650 175.4188 63 V 4.7233 8.5250 114.6006 60.0402 36.8617 173.9644 64 V 4.6782 8.4272 123.9836 61.7045 32.7359 174.8114 65 V 4.5670 8.1428 120.5201 59.1271 35.7699 174.7582 66 D 4.8165 8.4239 120.0519 53.7556 41.5951 176.5726 67 D 4.3133 8.8678 126.4130 58.1437 40.9275 179.2215 68 K 4.2933 8.6417 118.3340 55.5879 32.0195 180.8243 69 V 4.5002 7.8651 116.6854 63.4215 32.4187 177.1620 70 V 3.5819 7.3764 116.9873 66.9815 31.3935 177.6192 71 E 3.9822 8.1107 117.6186 59.3966 29.2664 179.1786 72 Q 3.9644 8.0623 117.3680 59.0283 28.9750 178.6260 73 A 3.9575 8.0853 121.6902 55.0461 18.3316 179.9131 74 V 3.4965 7.9355 116.7694 66.1210 31.5450 177.8783 75 D 4.3156 8.2015 118.4262 57.4702 40.5884 178.6493 76 A 3.9728 8.1868 121.2530 55.2715 18.2859 179.7781 77 I 3.6147 7.6491 117.8924 64.5056 37.3299 178.6435 78 I 3.6403 7.8057 120.5971 64.5131 36.7620 178.6544 79 K 3.9518 8.1277 117.8313 59.3330 31.8939 178.8110 80 A 4.3279 7.7115 119.9161 54.1825 18.6952 178.6954 81 A 4.3437 7.9102 118.0348 52.4170 19.5547 177.4647 82 R 3.9693 7.4111 117.7374 57.2540 30.1276 176.0530 83 T 4.2588 9.0169 115.7217 61.4000 69.9061 176.1629 84 G 3.8857 9.3329 110.0500 45.0995 0.0000 173.3749 85 K 4.4001 7.5495 119.0983 54.7135 33.5884 176.3668 86 I 3.7882 7.9612 120.9304 62.9150 37.3571 176.8335 87 G 3.9574 8.9002 112.0420 45.8672 0.0000 173.8942 88 D 4.3241 8.1243 121.7525 57.2770 41.0618 174.8954 89 G 4.3541 7.6750 101.1569 44.4344 0.0000 171.9299 90 K 4.6221 8.2520 116.5794 54.6417 37.0904 175.4585 91 I 4.7005 7.6684 120.5736 59.6068 40.4635 175.1802 92 F 5.1743 8.9825 124.9982 55.6301 42.6901 174.3373 93 V 4.9387 8.5081 120.6052 61.3830 34.2497 174.6509 94 Q 4.7366 8.9236 125.2579 53.7798 33.2035 174.5195 95 E 4.5279 8.9106 121.8121 56.6403 30.3361 176.3600 96 V 4.3307 8.3639 123.6959 61.4624 33.1655 175.3710 97 E 4.2202 9.0052 127.3560 58.4186 30.0317 176.6576 98 Q 4.5708 7.6835 116.4830 54.0678 32.6829 173.8101 99 V 4.5016 8.1787 121.9528 61.2398 34.8539 173.9419 100 I 5.0674 8.4085 127.6472 59.5048 40.6529 174.5985 101 R 4.3487 9.2824 127.9556 55.1377 30.9187 176.8962 102 I 3.6520 8.6781 127.8733 64.6938 37.5738 177.0954 103 R 4.0497 8.2157 118.8601 59.2918 29.6696 177.0270 104 T 4.2560 7.9469 104.3731 61.0001 70.1141 175.5071 105 G 3.9144 8.2166 109.4896 45.4006 0.0000 173.5590 106 E 4.1982 8.2403 119.7168 56.5932 30.0514 176.1869 107 T 5.5504 7.1975 115.8956 61.4103 73.7533 176.8965 108 G 3.7196 8.5489 112.7803 45.9086 0.0000 173.9455 109 P 4.2119 0.0000 0.0000 65.6909 31.1000 177.9210 110 D 4.4060 8.2269 115.2071 56.6591 40.7329 177.1134 111 A 4.5180 8.0067 119.8206 51.7705 19.8703 176.8802 112 V 3.7854 7.3461 119.6989 62.9591 31.5129 175.5826 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 1 M 8.16 4.67 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 2 K 8.88 4.76 0.00 1.61 1.67 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.60 7.81 3 Q 9.25 4.54 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 4 V 9.17 4.90 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 0.91 0.00 0.00 0.94 0.00 0.00 5 T 9.03 5.22 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 1.39 0.00 0.00 6 A 9.10 5.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.60 4.91 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.92 0.00 0.00 8 I 8.48 5.11 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.64 0.82 0.00 0.00 9 K 8.29 4.43 0.00 1.54 1.78 0.00 1.72 0.00 0.00 2.06 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.43 7.81 10 P 0.00 4.24 0.00 2.22 2.15 0.00 3.62 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 11 F 8.23 4.42 0.00 3.22 3.21 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 12 K 7.17 3.91 0.00 1.56 1.62 0.00 1.76 0.00 0.00 1.35 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.30 1.14 7.81 13 L 7.48 3.82 0.00 1.85 1.67 0.91 1.22 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 D 8.03 4.31 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 15 E 8.07 3.93 0.00 2.06 1.88 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 2.36 2.36 0.00 16 V 7.84 3.56 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 0.90 0.00 0.00 0.87 0.00 0.00 17 R 8.08 3.83 0.00 1.87 2.18 0.00 3.31 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 18 E 8.14 3.90 0.00 2.14 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 2.30 2.35 0.00 19 S 8.22 4.07 0.00 4.00 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 20 L 8.02 4.32 0.00 1.89 1.84 0.90 0.89 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 21 A 8.24 3.97 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 22 E 8.21 3.99 0.00 2.15 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 0.00 2.35 2.54 0.00 23 V 7.01 4.18 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 0.82 0.00 0.00 0.92 0.00 0.00 24 G 8.30 3.79 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 25 V 7.86 4.20 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 0.83 0.00 0.00 0.93 0.00 0.00 26 T 8.40 4.54 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 27 G 7.84 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 0.00 0.00 0.00 28 L 7.52 4.52 0.00 1.54 1.60 0.91 0.90 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 29 T 8.60 4.60 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 30 V 8.47 4.86 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 0.81 0.00 0.00 0.92 0.00 0.00 31 T 8.96 4.75 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 32 E 8.76 4.64 0.00 1.86 1.89 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 2.30 2.34 0.00 33 V 8.84 4.65 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 0.74 0.00 0.00 0.95 0.00 0.00 34 K 8.71 4.80 0.00 1.71 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 35 G 8.70 3.79 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 *57 P 0.00 4.28 0.00 2.22 2.13 0.00 3.47 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 1.91 2.13 0.00 58 K 8.76 4.79 0.00 1.65 1.83 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.51 7.81 59 V 8.73 4.76 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 1.00 0.00 0.00 0.92 0.00 0.00 60 K 9.07 4.91 0.00 1.87 1.66 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.45 7.81 61 I 8.74 5.06 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.90 0.00 0.00 62 E 9.21 5.27 0.00 1.86 1.81 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 2.24 2.27 0.00 63 V 8.52 4.72 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 0.63 0.00 0.00 0.93 0.00 0.00 64 V 8.43 4.68 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 0.81 0.00 0.00 0.94 0.00 0.00 65 V 8.14 4.57 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 0.68 0.00 0.00 0.93 0.00 0.00 66 D 8.42 4.82 0.00 2.67 2.52 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 0.00 67 D 8.87 4.31 0.00 2.82 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 K 8.64 4.29 0.00 1.76 1.71 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.24 7.81 69 V 7.87 4.50 2.18 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 0.97 0.00 0.00 0.93 0.00 0.00 70 V 7.38 3.58 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 0.98 0.00 0.00 0.98 0.00 0.00 71 E 8.11 3.98 0.00 2.01 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 2.40 2.34 0.00 72 Q 8.06 3.96 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 73 A 8.09 3.96 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.94 3.50 2.19 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 0.99 0.00 0.00 0.95 0.00 0.00 75 D 8.20 4.32 0.00 2.91 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 76 A 8.19 3.97 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 77 I 7.65 3.61 1.96 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 1.48 0.59 0.85 0.00 0.00 78 I 7.81 3.64 1.97 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 1.48 1.19 0.89 0.00 0.00 79 K 8.13 3.95 0.00 1.69 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 80 A 7.71 4.33 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 81 A 7.91 4.34 1.23 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 82 R 7.41 3.97 0.00 1.93 1.87 0.00 3.24 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 83 T 9.02 4.26 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 1.42 0.00 0.00 84 G 9.33 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 0.00 0.00 0.00 85 K 7.55 4.40 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 86 I 7.96 3.79 1.88 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 1.36 0.74 0.92 0.00 0.00 87 G 8.90 3.96 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 0.00 0.00 0.00 88 D 8.12 4.32 0.00 2.70 2.71 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 89 G 7.68 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 90 K 8.25 4.62 0.00 1.32 0.98 0.00 1.46 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 91 I 7.67 4.70 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.86 0.00 0.00 92 F 8.98 5.17 0.00 3.02 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 93 V 8.51 4.94 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 0.84 0.00 0.00 0.95 0.00 0.00 94 Q 8.92 4.74 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 95 E 8.91 4.53 0.00 1.85 1.89 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 2.32 2.26 0.00 96 V 8.36 4.33 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 0.94 0.00 0.00 97 E 9.01 4.22 0.00 2.00 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 2.29 2.29 0.00 98 Q 7.68 4.57 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 99 V 8.18 4.50 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 0.96 0.00 0.00 0.93 0.00 0.00 100 I 8.41 5.07 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 1.23 0.79 0.91 0.00 0.00 101 R 9.28 4.35 0.00 1.85 1.79 0.00 3.30 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 102 I 8.68 3.65 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 1.30 0.65 0.91 0.00 0.00 103 R 8.22 4.05 0.00 1.76 1.99 0.00 3.37 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 104 T 7.95 4.26 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 1.25 0.00 0.00 105 G 8.22 3.91 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 0.00 0.00 0.00 106 E 8.24 4.20 0.00 2.03 1.88 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 2.33 2.28 0.00 107 T 7.20 5.55 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 0.00 108 G 8.55 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 0.00 0.00 0.00 109 P 0.00 4.21 0.00 2.11 2.14 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 110 D 8.23 4.41 0.00 2.89 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 0.00 111 A 8.01 4.52 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 0.00 112 V 7.35 3.79 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 0.79 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.