NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9999 8.0932 114.8067 57.6598 64.7227 174.0090 2 L 3.8541 8.4795 120.3308 57.4242 41.1799 179.1931 3 F 4.0505 8.8869 122.0598 61.2961 39.7806 176.7634 4 E 3.9729 8.1917 117.7200 59.2523 29.2978 178.7387 5 L 4.0307 8.0023 120.5118 58.3555 42.1615 179.4278 6 G 3.5112 8.0939 105.4745 47.4176 0.0000 175.5781 7 K 3.7374 7.8270 121.9938 59.5364 32.1611 178.7596 8 M 3.9921 8.0637 118.9322 58.4294 31.7526 178.8956 9 I 3.5767 7.6276 119.8654 64.1196 37.0482 178.1306 10 L 4.1333 7.4953 121.2069 57.6848 41.9650 178.7228 11 Q 3.7617 8.0878 116.7720 58.9952 28.6375 178.5072 12 E 4.2958 8.4036 118.8891 59.1360 29.7269 178.6528 13 T 4.3045 8.2392 109.2317 62.8396 69.4385 176.5468 *15 G 3.9836 7.6764 107.3401 44.6236 0.0000 172.2343 16 K 4.3734 7.7117 119.8456 54.0843 34.1821 175.2545 17 N 4.3687 8.5019 120.3360 53.4925 39.6225 174.0181 18 P 4.5388 0.0000 0.0000 65.7680 31.5449 178.3428 19 A 3.9892 7.9308 120.0887 54.8001 18.2440 179.2960 20 K 3.9458 7.9176 116.1281 60.0396 32.5164 178.7615 21 S 4.3369 8.0994 115.4273 59.8268 62.9204 174.5433 22 Y 4.8939 8.2344 116.7449 57.2593 39.8933 177.6939 23 G 3.7942 8.6095 110.1940 47.9378 0.0000 174.6157 24 V 4.6376 7.4405 119.4963 62.4451 32.5068 173.6534 25 Y 4.5289 8.0636 119.7250 57.2502 39.9833 175.7596 26 G 3.7640 7.6941 115.9511 46.5481 0.0000 172.8013 27 C 4.7341 9.7318 117.5112 57.0485 41.2139 174.0155 28 N 4.8611 8.7315 115.4089 53.0665 40.5827 174.0269 29 C 4.5997 8.3502 116.4215 57.3500 41.9156 173.4171 30 G 3.9354 8.5049 112.0676 45.5051 0.0000 175.2944 31 V 3.6926 8.5487 118.2661 62.3665 32.0401 176.7599 32 G 3.8691 8.8732 108.9514 44.5220 0.0000 172.4933 33 G 4.1654 8.1190 108.9936 45.2255 0.0000 172.8543 34 R 4.6541 8.1419 121.4193 55.2492 32.7661 175.3212 35 G 4.1233 8.8085 106.9221 45.3778 0.0000 172.9603 36 K 4.3831 9.1489 123.0049 55.3954 32.5037 175.1556 37 P 4.5762 0.0000 0.0000 62.9718 31.7747 176.6612 38 K 3.9345 8.8886 121.2715 59.0930 32.6148 176.0171 39 D 4.4949 7.4138 115.4382 51.6856 41.8839 175.5382 40 A 3.9955 8.6004 119.7698 55.8306 17.7940 179.7001 41 T 3.7892 8.0644 113.7970 67.0983 68.5549 176.0815 42 D 4.4786 9.3993 120.0965 57.3113 41.1820 178.2395 43 R 3.8725 8.1277 119.4372 59.3215 30.0669 177.5459 44 C 4.1390 8.3094 116.5465 60.6476 40.8237 175.7652 45 C 4.1947 7.8452 117.1229 59.7606 35.1586 175.4037 46 Y 4.0383 8.2390 121.4358 60.9402 38.3123 178.6255 47 V 3.8161 8.2046 119.1030 66.0245 31.5628 177.4550 48 H 4.0378 8.2929 118.1378 59.2868 29.6560 177.4606 49 K 3.6365 7.8901 120.1262 59.4952 31.5378 178.7763 50 C 4.2435 7.7534 116.1012 59.8716 40.1498 174.7840 51 C 4.3446 8.1069 119.5418 60.1187 38.3927 174.9224 52 Y 4.2203 8.1931 118.1799 61.2273 37.4144 178.9789 53 K 3.9844 7.9074 119.2454 58.7682 31.9125 178.7338 *57 K 4.9397 7.6823 115.0408 56.0718 34.3074 175.7961 58 L 4.2541 7.5370 120.5633 54.8114 42.1976 176.4278 59 T 4.5689 8.3507 111.7638 61.1196 71.5234 174.0939 60 G 4.0887 9.8575 111.2688 45.6143 0.0000 171.9968 61 C 4.5794 7.5795 112.7425 54.0055 43.5481 172.5737 *67 D 4.7948 8.3336 118.2995 53.5522 41.4055 174.1035 68 P 4.0066 0.0000 0.0000 65.4815 31.6914 179.0245 69 K 4.2113 8.3140 117.3276 58.1494 32.3581 178.7995 70 K 4.3160 8.0849 116.2863 57.1111 33.8259 176.2883 71 D 4.6334 8.2414 119.5505 53.4153 41.3722 176.6708 72 R 4.3047 8.3923 123.4542 56.1634 30.8862 174.9572 73 Y 4.9891 7.3831 117.5157 55.5854 41.5974 173.9257 74 S 5.1636 8.7412 114.1715 57.0324 65.8280 172.5624 75 Y 5.5476 8.2853 119.1102 56.1457 41.3137 173.4096 76 S 4.7054 9.3930 113.5666 56.3128 67.1325 173.0239 77 W 5.3794 8.9074 130.9569 56.0274 31.7165 175.2432 78 K 4.3239 9.1208 128.1074 55.2724 33.6556 176.7043 79 D 4.3809 9.2390 125.8829 55.6013 38.3131 173.6449 80 K 2.0000 6.9518 109.7066 56.9915 30.1382 175.8836 81 T 4.4635 6.7698 113.5623 61.5022 71.6004 173.4262 82 I 4.8079 8.4112 126.5212 61.0742 38.3654 175.3714 83 V 4.4348 9.1985 127.2285 61.1352 33.9787 173.9792 84 C 4.7887 8.9982 126.0344 57.2464 40.5410 174.1066 85 G 3.7668 9.1635 111.8922 48.6922 0.0000 174.5486 86 E 4.4325 8.0174 127.1093 54.3521 30.7552 179.0509 87 N 3.6299 8.6778 118.8493 53.1811 40.3608 173.5051 88 N 4.0974 7.5952 125.1457 53.0214 38.6104 175.4310 89 S 4.2079 8.8520 121.7675 60.9053 63.0947 176.9304 90 C 4.0946 8.2193 120.3299 59.4270 41.8194 175.1303 *92 L 4.2293 7.8061 118.2667 54.6592 43.4635 178.9364 93 K 3.8267 8.3036 119.2521 59.6685 32.0148 178.8023 94 E 3.9104 8.0779 118.8036 59.0173 29.3116 179.1305 95 L 3.8100 8.1200 120.9168 58.2630 42.1277 178.0861 96 C 3.2607 7.8855 118.6952 59.5820 43.2020 175.4933 97 E 3.8051 8.3482 120.3211 59.2596 29.0388 178.5118 98 C 4.2640 8.4080 117.0139 60.3919 41.5745 176.0575 99 D 4.2965 8.2125 120.1478 57.0946 40.4457 178.5951 100 K 3.7434 8.3169 120.3588 59.6052 32.1603 178.6298 101 A 4.0022 8.0306 121.1027 55.0120 18.1847 179.9553 102 V 3.4341 7.7041 117.3404 64.8632 31.3987 178.5584 103 A 3.7929 8.0136 121.5464 54.7543 18.1780 179.6932 104 I 3.8061 7.7689 118.3304 64.6494 36.9611 177.7891 105 C 4.3682 7.9984 118.1241 59.7779 39.5356 175.3606 106 L 3.9266 8.1062 120.9054 57.6640 41.1023 179.4557 107 R 3.9022 8.0503 118.7257 59.4532 29.8295 178.3906 108 E 4.1768 8.3073 117.1464 58.1841 29.6712 177.3678 109 N 5.1526 7.4905 115.1271 52.7707 39.6932 176.2946 110 L 4.1838 7.9612 121.6237 57.6300 41.8175 179.2465 111 D 4.4665 8.2058 117.2996 55.5002 39.4594 176.9480 112 T 4.5400 7.6775 107.9276 61.0124 69.2488 173.4702 113 Y 4.0225 8.0804 124.3934 58.3339 39.3477 174.6049 114 N 4.8756 8.4838 125.3529 51.3197 40.3593 174.8884 115 K 4.1925 8.6938 126.5004 59.3235 32.5425 179.2019 116 K 3.7067 7.8080 118.9172 59.5653 32.1688 176.7788 117 Y 4.3845 7.5065 114.3509 58.1043 38.1207 177.2884 118 R 3.6884 7.6240 121.3601 59.2014 30.3280 177.0279 119 Y 4.3651 7.1698 115.5868 56.4668 36.8729 175.2799 120 N 4.5868 8.7742 122.5518 52.3343 37.7588 175.0159 121 Y 4.2795 7.8828 119.1976 59.6738 38.7543 176.4322 122 L 4.5853 7.9611 119.8271 54.7603 42.0500 178.6741 123 K 3.7529 7.8209 122.0687 59.1392 32.1127 177.3928 *125 P 4.2359 0.0000 0.0000 62.2591 33.0661 176.9438 126 A 4.4388 7.9116 118.7651 52.1614 18.7175 176.8133 127 C 4.4801 7.9742 114.9530 56.5805 39.3048 173.6180 128 K 4.1951 8.4206 123.8741 56.3521 32.8210 176.2986 129 K 4.3646 8.8060 126.1064 57.0395 32.6935 176.1151 130 A 4.7549 8.4090 124.6446 50.5643 20.3492 177.1190 131 D 4.5146 8.9385 120.3150 53.5701 41.6055 175.1653 132 P 4.4016 0.0000 0.0000 63.0161 31.8816 177.1035 133 C 4.4852 8.5488 115.7498 57.4784 41.1682 173.7654 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 S 8.09 5.00 0.00 4.25 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 0.00 2 L 8.48 3.85 0.00 1.80 1.88 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.89 4.05 0.00 3.15 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 4 E 8.19 3.97 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 1.58 2.43 0.00 5 L 8.00 4.03 0.00 2.06 1.89 0.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.09 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 7 K 7.83 3.74 0.00 1.46 1.89 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.29 7.81 8 M 8.06 3.99 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.90 0.00 9 I 7.63 3.58 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.83 0.00 0.00 10 L 7.50 4.13 0.00 1.55 1.76 0.93 0.46 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 11 Q 8.09 3.76 0.00 1.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 1.73 2.35 0.00 12 E 8.40 4.30 0.00 1.92 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 0.00 2.55 2.41 0.00 13 T 8.24 4.30 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 1.24 0.00 0.00 *15 G 7.68 3.98 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 0.00 0.00 0.00 16 K 7.71 4.37 0.00 1.78 1.50 0.00 1.34 0.00 0.00 1.34 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.25 7.81 17 N 8.50 4.37 0.00 2.76 2.69 0.00 0.00 6.85 7.71 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 18 P 0.00 4.54 0.00 2.36 2.34 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 19 A 7.93 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.95 0.00 1.82 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.68 7.81 21 S 8.10 4.34 0.00 3.44 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.89 0.00 3.16 2.92 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 0.00 23 G 8.61 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 24 V 7.44 4.64 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 0.66 0.00 0.00 0.94 0.00 0.00 25 Y 8.06 4.53 0.00 3.16 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 26 G 7.69 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 0.00 0.00 0.00 27 C 9.73 4.73 0.00 3.13 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 28 N 8.73 4.86 0.00 3.03 2.83 0.00 0.00 6.96 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 C 8.35 4.60 0.00 3.41 3.38 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 30 G 8.50 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 31 V 8.55 3.69 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 0.74 0.00 0.00 1.03 0.00 0.00 32 G 8.87 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 0.00 0.00 0.00 33 G 8.12 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 0.00 0.00 0.00 0.00 34 R 8.14 4.65 0.00 1.53 1.70 0.00 2.41 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.00 35 G 8.81 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 36 K 9.15 4.38 0.00 1.75 1.74 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.34 7.81 37 P 0.00 4.58 0.00 2.14 2.05 0.00 3.68 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 1.81 1.60 0.00 38 K 8.89 3.93 0.00 1.47 1.08 0.00 1.08 0.00 0.00 1.24 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.06 0.48 7.81 39 D 7.41 4.49 0.00 2.97 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 40 A 8.60 4.00 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 41 T 8.06 3.79 4.62 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 0.79 0.00 0.00 42 D 9.40 4.48 0.00 3.06 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 43 R 8.13 3.87 0.00 1.99 2.05 0.00 3.09 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 44 C 8.31 4.14 0.00 3.13 3.05 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 0.00 0.00 0.00 45 C 7.85 4.19 0.00 3.19 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 46 Y 8.24 4.04 0.00 3.06 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 47 V 8.20 3.82 2.27 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 1.07 0.00 0.00 1.07 0.00 0.00 48 H 8.29 4.04 0.00 3.26 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.89 3.64 0.00 1.66 1.69 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.46 7.81 50 C 7.75 4.24 0.00 3.10 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 51 C 8.11 4.34 0.00 3.12 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 52 Y 8.19 4.22 0.00 3.09 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 53 K 7.91 3.98 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 *57 K 7.68 4.94 0.00 1.89 1.97 0.00 1.18 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.43 7.81 58 L 7.54 4.25 0.00 1.71 1.57 0.71 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.35 4.57 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 1.20 0.00 0.00 60 G 9.86 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 0.00 0.00 0.00 0.00 61 C 7.58 4.58 0.00 3.25 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 *67 D 8.33 4.79 0.00 2.74 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 68 P 0.00 4.01 0.00 1.77 0.49 0.00 3.53 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 69 K 8.31 4.21 0.00 2.00 1.91 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.47 7.81 70 K 8.08 4.32 0.00 1.85 1.84 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 71 D 8.24 4.63 0.00 2.83 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 72 R 8.39 4.30 0.00 1.78 1.80 0.00 3.09 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 73 Y 7.38 4.99 0.00 3.09 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 74 S 8.74 5.16 0.00 3.96 4.06 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 0.00 0.00 0.00 75 Y 8.29 5.55 0.00 3.27 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 76 S 9.39 4.71 0.00 3.93 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 0.00 77 W 8.91 5.38 0.00 3.30 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 78 K 9.12 4.32 0.00 1.73 1.62 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.39 7.81 79 D 9.24 4.38 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.95 2.00 0.00 1.55 1.51 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.21 7.81 81 T 6.77 4.46 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 1.17 0.00 0.00 82 I 8.41 4.81 1.95 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 1.54 0.90 0.85 0.00 0.00 83 V 9.20 4.43 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 1.03 0.00 0.00 1.01 0.00 0.00 84 C 9.00 4.79 0.00 3.04 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 85 G 9.16 3.77 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 0.00 0.00 0.00 86 E 8.02 4.43 0.00 2.08 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 2.40 0.00 87 N 8.68 3.63 0.00 2.83 2.79 0.00 0.00 6.68 6.92 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 88 N 7.60 4.10 0.00 2.70 2.72 0.00 0.00 7.05 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 89 S 8.85 4.21 0.00 3.88 3.84 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 90 C 8.22 4.09 0.00 3.10 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 *92 L 7.81 4.23 0.00 1.93 1.83 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.30 3.83 0.00 1.84 1.91 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 94 E 8.08 3.91 0.00 2.03 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 2.30 2.43 0.00 95 L 8.12 3.81 0.00 1.67 1.61 0.56 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.89 3.26 0.00 2.05 2.90 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 97 E 8.35 3.81 0.00 2.08 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 2.44 2.46 0.00 98 C 8.41 4.26 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 99 D 8.21 4.30 0.00 2.87 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 0.00 100 K 8.32 3.74 0.00 1.70 1.89 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.45 7.81 101 A 8.03 4.00 1.37 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 0.00 102 V 7.70 3.43 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 0.59 0.00 0.00 0.76 0.00 0.00 103 A 8.01 3.79 1.32 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 0.00 0.00 104 I 7.77 3.81 1.99 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 1.42 0.63 0.95 0.00 0.00 105 C 8.00 4.37 0.00 3.07 3.19 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 0.00 106 L 8.11 3.93 0.00 1.58 1.33 -0.02 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.05 3.90 0.00 1.96 2.08 0.00 3.13 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 108 E 8.31 4.18 0.00 2.20 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 2.34 2.43 0.00 109 N 7.49 5.15 0.00 2.79 2.81 0.00 0.00 6.83 6.60 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 0.00 110 L 7.96 4.18 0.00 1.84 1.73 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.21 4.47 0.00 2.80 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 0.00 112 T 7.68 4.54 4.29 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 1.24 0.00 0.00 113 Y 8.08 4.02 0.00 3.01 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 0.00 114 N 8.48 4.88 0.00 2.48 1.89 0.00 0.00 6.89 6.85 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 0.00 115 K 8.69 4.19 0.00 1.86 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.57 7.81 116 K 7.81 3.71 0.00 1.43 1.30 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.31 1.36 7.81 117 Y 7.51 4.38 0.00 1.44 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 0.00 0.00 0.00 118 R 7.62 3.69 0.00 1.67 1.77 0.00 2.97 0.00 0.00 2.81 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 119 Y 7.17 4.37 0.00 3.01 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 0.00 120 N 8.77 4.59 0.00 2.74 2.77 0.00 0.00 7.23 7.46 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 0.00 121 Y 7.88 4.28 0.00 3.12 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 0.00 122 L 7.96 4.59 0.00 1.86 1.68 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.82 3.75 0.00 1.83 1.88 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.60 1.72 7.81 *125 P 0.00 4.24 0.00 2.09 2.17 0.00 3.78 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 1.96 2.12 0.00 126 A 7.91 4.44 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 0.00 127 C 7.97 4.48 0.00 3.04 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 0.00 128 K 8.42 4.20 0.00 1.83 1.68 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.48 7.81 129 K 8.81 4.36 0.00 1.69 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.47 7.81 130 A 8.41 4.75 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 0.00 131 D 8.94 4.51 0.00 2.85 2.70 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 0.00 0.00 0.00 0.00 132 P 0.00 4.40 0.00 2.18 2.07 0.00 3.80 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 2.02 2.01 0.00 133 C 8.55 4.49 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.