NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2038 8.1633 120.2851 54.7019 33.1864 174.2023 2 K 4.0317 8.4903 126.3130 56.1540 32.4632 175.7538 3 G 3.9407 8.7162 113.7339 44.8715 0.0000 171.9807 4 D 4.5572 8.4811 119.6483 54.4213 41.9515 177.0108 5 T 3.8632 8.8977 122.9407 66.8794 68.5944 176.6511 6 K 3.8536 8.1704 120.8758 59.0946 32.1986 178.8601 7 V 3.9047 8.5729 118.9406 66.1777 31.4316 177.8963 8 I 3.7322 7.7225 119.3150 64.6502 36.9087 178.1067 9 N 4.2486 8.2360 117.0629 56.4266 38.3422 176.9907 10 Y 4.1130 7.9467 118.0037 61.2135 38.0407 178.7011 11 L 3.9251 8.6442 120.0615 58.0120 41.6370 179.4888 12 N 4.3791 8.5078 116.7246 55.9606 38.4272 177.4799 13 K 3.8684 8.2960 121.5571 59.3884 32.3396 178.9304 14 L 3.8190 8.1992 119.6298 57.6401 41.3893 179.0138 15 L 4.0238 7.8495 120.7318 58.2004 41.9483 179.2511 16 G 3.6170 8.1662 105.6730 47.8940 0.0000 175.3243 17 N 4.3529 7.9912 118.9944 56.1101 38.5960 177.3578 18 E 4.0757 8.3060 119.8380 59.4093 29.4593 179.2464 19 L 3.9886 8.2094 119.2602 57.8535 41.6258 179.8048 20 V 3.5836 7.7483 117.4676 66.0758 31.5271 177.8764 21 A 3.8664 8.1878 120.5208 55.0766 18.1459 179.4350 22 I 3.7556 8.4290 118.6077 64.8713 37.1809 178.4364 23 N 4.3742 7.9093 117.0679 56.4168 38.3981 177.4063 24 Q 3.8352 8.2990 121.1901 59.3423 29.0775 177.9230 25 Y 4.3468 8.4897 118.2889 60.9401 37.9164 178.0224 26 F 3.8153 8.5890 121.7286 61.0742 39.5019 176.7742 27 L 3.9688 8.3138 120.1480 58.6019 41.8441 178.4698 28 H 3.8451 8.2446 115.7809 58.7973 28.6513 177.2180 29 A 4.1692 8.3203 122.7682 55.7433 18.1135 179.9316 30 R 3.9148 7.8289 115.4927 58.6874 30.1424 179.2908 31 M 3.6004 7.7944 119.2355 58.2046 31.8823 178.3748 32 F 4.5849 7.7410 118.2758 60.6872 39.1308 177.6675 33 K 3.9361 8.1456 119.0176 59.5645 31.7882 178.2547 34 N 4.2958 8.0584 116.2058 56.8276 38.9834 176.6209 35 F 4.7690 8.2235 118.0708 59.0329 39.3164 176.4784 36 G 3.9823 8.3305 107.0264 45.8825 0.0000 174.0155 37 L 4.6625 8.0538 122.1339 52.5754 38.2339 176.8816 38 K 3.8173 7.9418 123.0617 59.9306 32.5959 177.5305 39 R 3.9254 8.2693 118.8797 59.3023 29.9492 178.4795 40 L 4.1072 7.8851 118.7785 57.3359 41.4411 178.8532 41 N 4.5636 8.1809 116.7877 56.7838 38.9966 176.4750 42 D 4.3099 8.0724 120.2205 57.3844 41.1004 178.9918 43 V 3.3582 7.6117 118.4092 66.0733 31.4170 177.9552 44 E 3.8293 8.3617 118.4381 59.2463 29.2866 178.5806 45 Y 3.8190 8.1947 119.8542 61.1504 38.6386 178.0567 46 H 4.2001 8.3084 115.9681 57.8456 28.6966 177.1723 47 E 3.7551 7.5046 120.3042 58.1240 29.5363 178.3174 48 S 4.0809 7.8220 113.6069 61.5632 62.4228 176.2460 49 I 3.5563 7.3133 122.2688 64.3747 36.8102 177.8272 50 D 4.1965 7.4855 118.4236 57.5210 40.9839 178.3087 51 E 4.0845 8.1497 118.8543 59.2837 29.3083 179.2698 52 M 4.0568 7.9970 119.1052 58.3429 32.0338 178.6822 53 K 3.8846 8.0850 118.5903 59.8147 32.2007 179.1070 54 H 4.0959 8.0278 115.9831 58.7560 28.6110 177.4821 55 A 4.2380 8.3418 122.8952 55.4551 18.2023 178.9887 56 D 4.3124 8.3870 116.6138 57.7838 41.2422 178.8389 57 R 3.8897 7.8654 118.3545 59.3848 29.9943 178.6968 58 Y 4.2984 7.9161 116.4968 61.2282 37.9093 178.6216 59 I 3.7982 8.2808 121.1079 64.5923 37.1945 178.4315 60 E 4.0756 8.4492 119.4587 59.1636 29.2085 179.4391 61 R 4.0443 8.1589 118.9223 59.5159 30.2136 178.5182 62 I 3.7759 8.5002 119.9599 64.5314 37.1464 178.4212 63 L 4.0562 8.0712 119.7352 57.7102 41.2172 179.3636 64 F 4.4157 8.1667 119.6678 61.2842 39.7021 176.4953 65 L 4.5466 8.1982 117.7983 53.9711 41.1513 177.2621 66 E 3.8691 7.9686 117.5942 57.3384 27.0528 174.5983 67 G 3.9147 8.2332 108.8621 44.1734 0.0000 173.8132 68 L 4.5161 8.0028 119.1396 52.0049 41.8579 175.0879 69 P 4.3767 0.0000 0.0000 62.5652 31.7542 176.0439 70 N 4.7212 9.4259 122.2763 52.4081 38.7495 173.8214 71 L 4.6359 8.3331 124.1216 54.5512 42.4438 177.4571 72 Q 4.1516 8.6041 122.2456 58.0679 29.4094 175.9423 73 D 4.6752 8.0380 116.8574 52.9380 41.9307 175.2744 74 L 4.5962 8.2809 125.2250 52.8039 44.1878 176.6122 75 G 3.8130 8.4374 115.3786 44.6148 0.0000 171.8688 76 K 4.0847 8.3239 120.7883 55.8226 32.3879 176.7089 77 L 4.1103 8.3626 126.8375 54.4007 42.3021 176.0452 78 N 4.8308 8.8693 121.1105 52.1027 40.3085 174.0590 79 I 3.9211 8.5804 126.6589 63.7572 37.8903 177.9416 80 G 4.1736 8.1138 102.8339 45.7862 0.0000 172.5165 81 E 4.5859 8.6857 117.2565 56.2967 31.9336 176.8202 82 D 5.0856 7.6756 117.1458 50.9342 43.3843 176.8024 83 V 3.9603 8.4466 119.2674 66.6800 31.3021 177.5520 84 E 3.8368 8.2028 117.8913 59.4944 29.5281 178.2127 85 E 3.9770 8.3999 119.3108 59.5428 29.6261 178.7241 86 M 4.0804 8.2625 117.0910 58.2506 31.3821 178.5894 87 L 4.1495 8.4817 120.5797 57.6239 41.7556 179.4784 88 R 3.8973 8.4563 119.1167 59.3648 30.0909 178.5592 89 S 4.0954 8.1342 113.1382 61.3637 62.3905 175.8289 90 D 4.2202 8.1602 121.6650 57.1266 40.5025 178.4798 91 L 3.9842 8.2250 120.6431 58.2745 42.1780 178.8229 92 A 3.9892 8.2101 120.7860 55.1988 18.2609 179.4046 93 L 3.9372 7.8812 118.5662 58.1379 42.0586 178.8399 94 E 4.0538 8.2895 119.4751 59.1548 29.7344 178.6966 95 L 4.0252 8.2109 119.2584 58.0359 41.8250 179.3094 96 D 4.5299 8.3622 118.9588 57.1744 40.7207 179.1016 97 G 3.6384 8.3391 106.2864 47.6236 0.0000 175.7153 98 A 4.0778 8.4332 123.5231 54.6178 18.4464 179.5876 99 K 3.8570 7.9542 117.7348 59.9642 32.2527 178.8475 100 N 4.4326 8.0765 116.2015 56.1508 38.3064 177.4764 101 L 3.9782 8.0376 120.4540 57.8761 41.6533 179.6303 102 R 3.8982 8.2122 118.2064 59.2488 29.9141 178.7777 103 E 3.8521 8.0956 118.4624 59.2491 29.6075 178.7187 104 A 2.8136 7.9377 121.0207 54.7768 18.3624 179.6351 105 I 3.7113 8.0518 118.8247 64.4694 36.9443 178.9054 106 G 3.5914 7.6027 105.3020 47.8554 0.0000 174.9047 107 Y 4.1045 7.6756 121.4220 60.2855 38.8995 177.3303 108 A 3.8059 8.2035 122.1016 55.3004 18.4001 178.9920 109 D 4.0784 7.9098 116.4762 57.4892 41.0940 178.5727 110 S 4.1650 7.5093 112.8755 60.1510 63.2644 175.6893 111 V 4.0068 6.8487 113.8268 60.7450 31.6215 175.6692 112 H 2.7797 7.1494 114.2196 56.5810 27.1081 176.4646 113 D 4.5581 7.3858 121.0541 53.6175 37.4582 176.2651 114 Y 4.3111 7.4493 121.4706 60.7084 38.4542 178.3035 115 V 3.7222 7.8950 119.9527 64.7707 31.6972 178.3654 116 S 4.1659 8.3811 115.8534 61.4140 62.6434 176.6831 117 R 3.8775 8.0386 121.2181 59.3979 29.9409 177.9830 118 D 4.3048 8.4377 118.1188 57.6038 41.3117 177.6873 119 M 3.9582 8.1794 118.6874 59.2319 32.1267 178.1714 120 M 4.1533 8.2375 118.6742 58.3890 32.0971 178.8556 121 I 3.7267 8.2768 120.5763 64.2510 37.2383 178.2961 122 E 3.9679 8.1277 119.3492 59.4875 29.2384 179.4695 123 I 3.5508 7.6193 119.6965 64.0934 37.1118 178.1872 124 L 3.9191 8.1154 121.3566 58.1403 41.9168 178.7749 125 R 3.8916 8.0308 118.5644 59.8418 30.0716 178.1400 126 D 4.3488 8.0735 118.3674 57.3925 40.7309 178.7175 127 E 3.9562 8.3283 119.2834 59.4268 29.3991 179.1421 128 E 4.1618 8.8084 119.2426 59.1926 29.4616 179.5454 129 G 3.7361 8.1048 105.8270 48.3009 0.0000 175.3619 130 H 4.4318 8.0759 118.7416 58.5465 28.7014 177.7988 131 I 3.8094 8.3048 122.0054 64.5629 36.9961 177.6577 132 D 4.3932 8.4587 118.9551 57.2590 41.0204 178.2560 133 W 4.1265 8.3709 128.4795 60.4922 30.8128 177.7132 134 L 3.7595 8.5407 119.1916 57.9235 41.1527 179.3874 135 E 3.9249 8.5191 118.6390 59.7231 29.3325 179.5453 136 T 3.7838 7.8809 115.5685 66.6747 68.5167 176.3709 137 E 3.7614 7.6440 120.2297 59.4768 29.2155 179.5631 138 L 3.7709 7.7154 118.7617 57.7589 41.5265 179.3927 139 D 4.2892 8.1297 118.9379 57.1202 40.6720 178.5927 140 L 3.9699 8.1233 119.9325 57.9178 41.7287 179.5284 141 I 3.4609 7.4872 119.5427 64.4954 36.7460 178.5604 142 Q 3.9438 7.4115 117.4095 58.8806 28.6311 178.6231 143 K 4.1404 8.1644 119.0763 58.9600 32.3000 178.5183 144 M 4.3577 8.4336 114.9342 54.0844 32.4516 177.2300 145 G 4.1085 7.5506 105.6075 45.9625 0.0000 174.3328 146 L 3.9593 8.4673 121.6910 58.0846 42.1461 179.3731 147 Q 4.0040 8.0798 117.3577 59.3386 28.8809 178.6947 148 N 4.3762 8.1449 116.7850 56.2582 38.3714 176.6986 149 Y 3.9823 7.9850 120.2294 60.5973 39.1689 177.8281 150 L 4.0700 8.3765 120.2169 58.0608 41.6923 179.1838 151 Q 3.9506 8.1327 119.0266 59.2647 28.6779 177.9596 152 A 4.1705 7.5396 118.9068 53.3757 18.7125 178.2020 153 Q 4.3205 7.9035 116.2360 55.3765 29.1888 177.5820 154 I 3.8822 7.2390 121.1875 63.4561 37.3683 176.6637 155 R 4.5977 7.5237 117.2356 54.0956 31.8194 176.0224 156 E 4.1411 8.3640 118.6997 55.9238 30.5380 175.8646 157 E 4.0707 8.5186 122.0066 55.3776 30.4170 176.5924 *158 G 3.7284 8.6060 114.1915 45.8868 0.0000 172.1513 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 4.20 0.00 1.44 1.77 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.49 4.03 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.72 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 4 D 8.48 4.56 0.00 2.77 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 5 T 8.90 3.86 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.72 1.91 0.00 1.41 0.00 0.00 0.93 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.86 1.06 7.81 7 V 8.57 3.90 2.37 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 1.14 0.00 0.00 1.22 0.00 0.00 8 I 7.72 3.73 2.05 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 1.55 0.69 0.92 0.00 0.00 9 N 8.24 4.25 0.00 2.59 2.67 0.00 0.00 7.07 7.03 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 10 Y 7.95 4.11 0.00 3.22 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 11 L 8.64 3.93 0.00 2.01 1.77 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.38 0.00 2.88 2.81 0.00 0.00 6.66 8.03 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 13 K 8.30 3.87 0.00 1.71 1.95 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.20 3.82 0.00 0.90 1.20 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.85 4.02 0.00 1.68 1.83 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.17 3.62 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 0.00 0.00 0.00 17 N 7.99 4.35 0.00 2.99 2.92 0.00 0.00 7.07 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.31 4.08 0.00 2.26 2.29 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 2.78 2.90 0.00 19 L 8.21 3.99 0.00 1.93 1.74 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.75 3.58 2.22 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 1.11 0.00 0.00 0.97 0.00 0.00 21 A 8.19 3.87 1.48 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 22 I 8.43 3.76 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.76 0.91 0.00 0.00 23 N 7.91 4.37 0.00 2.85 2.86 0.00 0.00 6.75 8.03 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 24 Q 8.30 3.84 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 25 Y 8.49 4.35 0.00 3.23 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 26 F 8.59 3.82 0.00 3.40 3.11 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 27 L 8.31 3.97 0.00 1.96 1.60 0.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.24 3.85 0.00 3.53 3.19 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.32 4.17 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 30 R 7.83 3.91 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.82 0.00 31 M 7.79 3.60 0.00 1.37 1.73 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 32 F 7.74 4.58 0.00 3.32 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 33 K 8.15 3.94 0.00 2.01 1.95 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 N 8.06 4.30 0.00 2.73 2.77 0.00 0.00 7.32 7.75 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 35 F 8.22 4.77 0.00 3.33 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 36 G 8.33 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 37 L 8.05 4.66 0.00 2.12 1.62 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.82 0.00 2.04 1.83 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.27 3.93 0.00 2.10 1.99 0.00 3.49 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.89 4.11 0.00 1.69 1.02 1.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.56 0.00 3.10 3.01 0.00 0.00 7.24 8.49 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 42 D 8.07 4.31 0.00 2.88 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 43 V 7.61 3.36 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 -0.66 0.00 0.00 0.78 0.00 0.00 44 E 8.36 3.83 0.00 2.31 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 0.00 2.60 3.15 0.00 45 Y 8.19 3.82 0.00 2.92 3.01 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 0.00 0.00 0.00 46 H 8.31 4.20 0.00 3.23 3.23 0.00 5.66 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 47 E 7.50 3.76 0.00 1.53 1.12 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 1.47 1.85 0.00 48 S 7.82 4.08 0.00 3.90 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 49 I 7.31 3.56 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.52 0.84 0.00 0.00 50 D 7.49 4.20 0.00 2.87 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.15 4.08 0.00 2.24 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 0.00 2.68 2.82 0.00 52 M 8.00 4.06 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 53 K 8.09 3.88 0.00 1.89 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.03 4.10 0.00 3.55 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.34 4.24 1.44 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 0.00 0.00 56 D 8.39 4.31 0.00 2.88 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 57 R 7.87 3.89 0.00 1.82 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 58 Y 7.92 4.30 0.00 3.23 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 59 I 8.28 3.80 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.95 0.00 0.00 60 E 8.45 4.08 0.00 2.04 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 2.35 2.62 0.00 61 R 8.16 4.04 0.00 2.14 2.22 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.50 3.78 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.98 0.00 0.00 63 L 8.07 4.06 0.00 2.11 1.80 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.17 4.42 0.00 3.01 3.34 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 65 L 8.20 4.55 0.00 1.69 1.60 1.04 0.51 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 66 E 7.97 3.87 0.00 2.08 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 2.17 2.27 0.00 67 G 8.23 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 68 L 8.00 4.52 0.00 1.60 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.43 4.72 0.00 2.59 2.80 0.00 0.00 7.08 7.75 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 71 L 8.33 4.64 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.60 4.15 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.04 4.68 0.00 2.68 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 74 L 8.28 4.60 0.00 1.52 1.50 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.44 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 0.00 0.00 0.00 76 K 8.32 4.08 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.36 4.11 0.00 1.64 1.55 0.90 0.97 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 78 N 8.87 4.83 0.00 2.62 2.68 0.00 0.00 7.19 7.23 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 79 I 8.58 3.92 1.88 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 1.34 0.94 0.93 0.00 0.00 80 G 8.11 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 81 E 8.69 4.59 0.00 1.98 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 2.25 2.29 0.00 82 D 7.68 5.09 0.00 2.84 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 83 V 8.45 3.96 2.20 0.00 0.00 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 1.22 0.00 0.00 84 E 8.20 3.84 0.00 2.01 1.91 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 2.32 2.26 0.00 85 E 8.40 3.98 0.00 2.29 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 0.00 2.33 2.34 0.00 86 M 8.26 4.08 0.00 2.22 1.77 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.90 0.00 87 L 8.48 4.15 0.00 2.02 1.77 1.29 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.46 3.90 0.00 2.11 1.93 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.13 4.10 0.00 4.07 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 90 D 8.16 4.22 0.00 3.12 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 91 L 8.22 3.98 0.00 1.82 1.89 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.21 3.99 1.33 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 0.00 0.00 0.00 93 L 7.88 3.94 0.00 1.86 1.81 0.90 0.54 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 94 E 8.29 4.05 0.00 2.47 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 0.00 2.50 2.53 0.00 95 L 8.21 4.03 0.00 2.09 1.73 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.36 4.53 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.08 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 99 K 7.95 3.86 0.00 2.05 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.08 4.43 0.00 2.88 2.91 0.00 0.00 7.11 6.06 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 0.00 101 L 8.04 3.98 0.00 2.02 1.74 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.21 3.90 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.10 3.85 0.00 2.18 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 0.00 2.35 2.38 0.00 104 A 7.94 2.81 1.08 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 0.00 0.00 105 I 8.05 3.71 2.02 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 1.46 0.85 0.91 0.00 0.00 106 G 7.60 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 0.00 107 Y 7.68 4.10 0.00 3.10 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 0.00 108 A 8.20 3.81 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 0.00 109 D 7.91 4.08 0.00 2.85 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 0.00 110 S 7.51 4.16 0.00 3.97 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 0.00 111 V 6.85 4.01 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 0.49 0.00 0.00 0.62 0.00 0.00 112 H 7.15 2.78 0.00 3.15 3.31 0.00 5.84 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 0.00 113 D 7.39 4.56 0.00 2.64 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 0.00 0.00 0.00 0.00 114 Y 7.45 4.31 0.00 3.10 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 0.00 115 V 7.90 3.72 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 0.91 0.00 0.00 0.98 0.00 0.00 116 S 8.38 4.17 0.00 4.18 4.05 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 0.00 117 R 8.04 3.88 0.00 1.91 2.21 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.44 4.30 0.00 2.98 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 0.00 119 M 8.18 3.96 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 120 M 8.24 4.15 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 121 I 8.28 3.73 2.01 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 1.53 0.98 0.91 0.00 0.00 122 E 8.13 3.97 0.00 2.17 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 2.32 2.34 0.00 123 I 7.62 3.55 1.91 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.72 0.00 0.00 124 L 8.12 3.92 0.00 1.85 1.85 0.95 0.95 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 0.00 125 R 8.03 3.89 0.00 2.01 2.15 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 8.07 4.35 0.00 2.98 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 0.00 127 E 8.33 3.96 0.00 2.13 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 0.00 2.61 2.55 0.00 128 E 8.81 4.16 0.00 2.10 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 2.36 2.36 0.00 129 G 8.10 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 0.00 0.00 0.00 130 H 8.08 4.43 0.00 3.54 3.56 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 0.00 131 I 8.30 3.81 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.97 0.00 0.00 132 D 8.46 4.39 0.00 2.90 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 0.00 133 W 8.37 4.13 0.00 3.54 3.48 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 0.00 134 L 8.54 3.76 0.00 2.11 1.76 1.38 1.45 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 0.00 135 E 8.52 3.92 0.00 2.11 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 2.33 2.52 0.00 136 T 7.88 3.78 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 137 E 7.64 3.76 0.00 1.57 1.65 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 1.47 1.47 0.00 138 L 7.72 3.77 0.00 1.73 1.61 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.13 4.29 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 0.00 140 L 8.12 3.97 0.00 1.87 1.85 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.49 3.46 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.05 0.71 0.00 0.00 142 Q 7.41 3.94 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 8.16 4.14 0.00 1.69 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 144 M 8.43 4.36 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 145 G 7.55 4.11 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 0.00 146 L 8.47 3.96 0.00 1.75 1.68 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.08 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.14 4.38 0.00 2.97 2.88 0.00 0.00 6.68 7.48 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 0.00 149 Y 7.99 3.98 0.00 3.02 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 0.00 150 L 8.38 4.07 0.00 2.04 1.70 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.13 3.95 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.54 4.17 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 0.00 153 Q 7.90 4.32 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 154 I 7.24 3.88 1.97 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 1.31 0.86 0.90 0.00 0.00 155 R 7.52 4.60 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.36 4.14 0.00 2.08 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 2.26 2.28 0.00 157 E 8.52 4.07 0.00 1.95 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 2.27 2.30 0.00 *158 G 8.61 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.