NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 W 4.7211 8.1333 121.3351 55.7279 29.6938 176.4320 20 K 4.1466 8.7276 113.0561 60.3001 31.6141 177.0597 21 D 4.3328 8.8242 119.6822 57.4599 41.7546 177.9576 22 K 4.4209 7.9670 119.8805 58.7379 32.1231 178.6556 23 E 3.9508 8.8144 120.1004 59.4282 29.4758 178.8279 24 F 4.2432 8.3837 120.3845 61.5088 39.3977 177.0653 25 Q 3.9301 8.3447 117.7107 58.9036 28.4021 179.1194 26 V 3.6108 8.5358 119.5609 66.0553 31.5635 178.1213 27 L 3.9729 8.1084 118.8284 57.5903 41.4108 179.2926 28 F 3.3272 8.3785 121.0529 60.9904 39.2385 177.3024 29 V 3.3439 7.8980 117.8816 65.9714 31.3377 177.8652 30 L 3.8743 7.9983 118.8850 58.0762 41.3598 179.7419 31 T 3.6177 7.6772 115.6063 66.5895 68.2927 176.8577 32 I 3.3975 7.1098 121.6095 64.2558 37.0578 178.5415 33 L 4.0457 7.9236 119.9352 58.0047 41.4901 179.8077 34 T 3.9863 7.7803 115.8447 66.6309 68.3967 176.8900 35 L 4.2371 8.0826 121.0662 57.5919 41.5878 179.6300 36 I 3.7498 8.2502 120.5766 64.2042 37.0451 178.1490 37 S 4.2213 8.3192 114.2195 61.5824 62.2321 176.6363 38 G 3.6780 8.1047 109.1820 47.4592 0.0000 175.8619 39 T 4.0546 8.1550 118.1078 66.6977 68.3424 176.9167 40 I 3.7158 8.2831 122.0869 63.9317 36.9369 178.4590 41 F 3.5391 7.8419 121.6355 61.4119 38.8399 177.1112 42 Y 4.0327 7.9497 116.2055 60.4083 37.4204 178.0323 43 S 5.1080 7.9972 115.7644 59.6889 63.4700 175.5629 44 T 4.1870 6.9550 111.8052 63.0368 69.6891 176.3209 45 V 3.7054 7.3466 119.8569 63.6872 31.8119 176.2209 46 E 4.3955 7.7032 114.8315 54.9920 30.3580 175.5506 47 G 3.9433 7.7012 106.6540 46.8725 0.0000 173.2043 48 L 4.6662 7.2093 117.0609 52.2105 44.8976 177.3792 49 R 4.3394 8.0668 119.6958 55.5669 31.9752 176.1700 50 P 4.2640 0.0000 0.0000 66.0905 31.3781 178.9343 51 I 3.7391 7.6888 116.7213 63.9802 37.8957 177.4689 52 D 4.4208 7.9269 119.2567 56.9115 40.8482 178.3984 53 A 4.0366 8.4548 121.9648 54.8007 18.3158 179.5273 54 L 4.1355 8.2438 120.4911 57.9486 42.2526 178.3564 55 Y 3.9828 8.1114 119.5001 60.9068 38.8568 178.0477 56 F 4.2116 8.6638 121.5377 61.2998 39.4144 177.2476 57 S 4.2365 8.2772 114.9078 61.5001 62.7733 176.8132 58 V 3.4028 7.8321 120.8593 66.2237 31.2974 178.6544 59 V 3.5083 7.4451 111.7586 64.1102 31.1027 178.9058 60 T 3.6859 7.2878 115.4580 66.4170 68.1846 176.9489 61 L 3.9381 7.5568 119.1315 56.9211 41.7743 177.9240 62 T 3.8957 7.4441 106.7499 61.0615 69.1836 175.5690 63 T 3.3951 7.6228 111.1866 62.2075 68.1218 172.9802 64 V 3.5605 7.2878 122.6713 65.1163 31.6459 177.5336 65 G 4.1024 8.5760 103.3797 45.7842 0.0000 171.7464 66 D 5.0220 8.4799 119.2741 52.4145 42.8404 176.3317 67 G 4.1120 8.8387 114.1381 45.9869 0.0000 173.5923 68 N 4.9498 8.4658 114.6865 52.5746 42.1879 174.4189 69 F 4.9183 7.9008 118.0990 56.4285 41.3167 174.9435 70 S 4.1195 6.7291 121.2493 55.8801 66.7326 172.2144 71 P 4.1287 0.0000 0.0000 63.5660 31.6425 176.0977 72 Q 4.2077 9.4220 122.1542 58.0666 29.7511 177.3328 73 T 4.4594 7.8118 107.5472 61.0111 71.6415 175.6040 74 D 4.5280 8.6078 121.6132 57.2446 40.5662 178.7746 75 F 4.8533 8.4400 121.3426 61.1696 39.4967 177.2801 76 G 3.9872 8.5425 105.5553 47.3248 0.0000 176.1426 77 K 4.1761 8.0835 120.7239 59.4868 32.3160 179.5103 78 I 3.9299 7.8883 112.8190 63.6103 37.5106 178.1604 79 F 3.8873 7.9809 122.4129 61.3892 39.0397 177.1422 80 T 4.1913 8.0574 116.7682 66.1157 68.3921 176.4316 81 I 3.7776 7.7533 121.3039 64.6922 37.2418 178.5780 82 L 4.1121 7.7759 119.1344 57.8057 41.1665 178.9455 83 Y 3.9553 8.2908 119.9369 60.5287 38.5611 178.2525 84 I 3.5149 8.0039 120.9192 64.4880 37.0429 178.4908 85 F 4.0356 7.6864 116.5795 60.5984 38.7952 177.5098 86 I 4.0710 7.9725 118.6654 63.4018 37.2471 177.7763 87 G 3.6290 8.0883 106.0725 46.1414 0.0000 175.9622 88 I 3.9951 7.8236 122.4914 64.3267 37.1947 178.5146 89 G 3.6893 8.0658 105.9991 47.7091 0.0000 175.3305 90 L 3.9530 7.7880 122.4548 57.8692 42.2095 178.9275 91 V 3.5256 7.8344 118.2622 66.1702 31.3647 177.9358 92 F 4.1130 8.5130 117.2583 59.8547 38.7757 178.1411 93 G 3.6648 8.0934 105.7796 47.5686 0.0000 175.7108 94 F 4.2793 8.6405 123.3816 61.2326 39.3952 177.3276 95 I 3.4718 8.0271 119.6915 64.4214 36.7928 177.9137 96 H 4.1237 8.4746 119.1535 59.3675 29.6867 177.5883 97 K 3.9370 8.1146 120.2863 59.1555 31.7614 179.1660 98 L 3.7329 8.1789 120.9484 57.9066 41.9715 178.9582 99 A 4.1194 7.9780 122.1812 54.7306 18.1681 179.6631 100 V 3.6502 7.6357 115.0730 64.6563 31.8167 176.8696 101 N 4.7706 8.0979 113.5339 52.7949 39.5793 174.4932 102 V 3.9923 7.0721 117.9154 64.1028 33.6752 177.4260 103 Q 3.9108 8.2957 118.7022 58.6864 28.4548 178.4078 104 L 3.9338 7.8589 121.2874 57.8743 42.1452 177.3202 105 P 4.1816 0.0000 0.0000 65.4882 31.2707 178.6080 106 S 4.0408 7.8780 111.5693 61.4064 62.1030 176.2783 107 I 3.7176 7.9502 121.8394 64.3091 37.2117 178.1254 108 L 4.1366 8.1539 120.2895 57.8028 41.1916 179.7594 109 S 4.1818 8.2420 114.2788 61.2832 62.7987 175.5483 110 N 4.6730 8.0886 117.4287 54.0967 38.5634 175.9553 111 L 4.5643 7.3187 118.9219 53.4486 43.0057 176.6130 112 V 3.7597 6.9130 119.1389 61.7041 31.9992 173.7677 113 P 4.5454 0.0000 0.0000 62.5355 32.2811 176.3859 114 R 4.1921 8.2927 118.7550 56.5403 30.9182 175.1985 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 *19 W 8.13 4.72 0.00 2.44 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 0.00 0.00 0.00 20 K 8.73 4.15 0.00 1.88 1.92 0.00 1.63 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.57 7.81 21 D 8.82 4.33 0.00 2.81 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 22 K 7.97 4.42 0.00 1.85 1.88 0.00 2.06 0.00 0.00 1.99 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.32 7.81 23 E 8.81 3.95 0.00 2.03 2.26 0.00 0.00 0.00 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 2.40 0.00 24 F 8.38 4.24 0.00 3.21 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 25 Q 8.34 3.93 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.85 0.00 26 V 8.54 3.61 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 1.13 0.00 0.00 1.03 0.00 0.00 27 L 8.11 3.97 0.00 2.06 1.92 1.05 0.89 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 28 F 8.38 3.33 0.00 2.64 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 29 V 7.90 3.34 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 1.00 0.00 0.00 1.06 0.00 0.00 30 L 8.00 3.87 0.00 1.77 1.63 0.91 0.93 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 31 T 7.68 3.62 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 0.77 0.00 0.00 32 I 7.11 3.40 1.44 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.18 0.72 0.00 0.00 33 L 7.92 4.05 0.00 1.74 1.68 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.78 3.99 4.34 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 1.17 0.00 0.00 35 L 8.08 4.24 0.00 1.75 1.72 0.78 0.93 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 36 I 8.25 3.75 2.01 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 1.39 0.74 0.91 0.00 0.00 37 S 8.32 4.22 0.00 4.03 4.22 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 38 G 8.10 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.16 4.05 4.44 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 1.29 0.00 0.00 40 I 8.28 3.72 1.98 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 1.40 1.03 0.87 0.00 0.00 41 F 7.84 3.54 0.00 2.44 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 0.00 0.00 0.00 0.00 42 Y 7.95 4.03 0.00 3.21 2.94 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 43 S 8.00 5.11 0.00 4.01 4.01 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 44 T 6.96 4.19 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 1.16 0.00 0.00 45 V 7.35 3.71 0.67 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 0.61 0.00 0.00 0.25 0.00 0.00 46 E 7.70 4.40 0.00 2.31 2.13 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 2.26 2.73 0.00 47 G 7.70 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 48 L 7.21 4.67 0.00 1.59 1.36 -0.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.07 4.34 0.00 1.80 1.81 0.00 3.12 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 50 P 0.00 4.26 0.00 2.15 2.12 0.00 3.58 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 2.10 2.14 0.00 51 I 7.69 3.74 1.88 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 1.64 1.24 0.89 0.00 0.00 52 D 7.93 4.42 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.24 4.14 0.00 1.89 1.95 0.95 0.95 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 55 Y 8.11 3.98 0.00 3.21 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 56 F 8.66 4.21 0.00 3.19 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 57 S 8.28 4.24 0.00 4.24 4.18 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 58 V 7.83 3.40 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 0.88 0.00 0.00 0.93 0.00 0.00 59 V 7.45 3.51 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 0.10 0.00 0.00 0.83 0.00 0.00 60 T 7.29 3.69 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 1.07 0.00 0.00 61 L 7.56 3.94 0.00 1.44 1.49 0.44 0.40 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 62 T 7.44 3.90 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 1.02 0.00 0.00 63 T 7.62 3.40 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 1.29 0.00 0.00 64 V 7.29 3.56 2.11 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 0.76 0.00 0.00 0.91 0.00 0.00 65 G 8.58 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 0.00 0.00 0.00 66 D 8.48 5.02 0.00 3.02 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 67 G 8.84 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 68 N 8.47 4.95 0.00 2.73 2.86 0.00 0.00 6.69 8.60 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 69 F 7.90 4.92 0.00 2.96 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 70 S 6.73 4.12 0.00 3.58 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 0.00 71 P 0.00 4.13 0.00 2.10 2.16 0.00 3.60 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 72 Q 9.42 4.21 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 73 T 7.81 4.46 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 1.26 0.00 0.00 74 D 8.61 4.53 0.00 2.88 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 75 F 8.44 4.85 0.00 3.04 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 76 G 8.54 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 0.00 0.00 0.00 77 K 8.08 4.18 0.00 2.09 1.96 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.72 7.81 78 I 7.89 3.93 1.97 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 1.16 0.00 0.00 79 F 7.98 3.89 0.00 2.49 2.67 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 0.00 0.00 0.00 80 T 8.06 4.19 4.61 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 1.49 0.00 0.00 81 I 7.75 3.78 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 1.11 0.00 0.00 82 L 7.78 4.11 0.00 1.66 1.64 0.92 0.65 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 83 Y 8.29 3.96 0.00 2.03 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 84 I 8.00 3.51 1.87 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 1.40 0.54 0.51 0.00 0.00 85 F 7.69 4.04 0.00 3.05 3.06 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 86 I 7.97 4.07 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 1.72 0.72 0.89 0.00 0.00 87 G 8.09 3.63 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 0.00 0.00 0.00 88 I 7.82 4.00 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.77 1.03 0.00 0.00 89 G 8.07 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 90 L 7.79 3.95 0.00 1.74 1.77 0.90 0.79 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 91 V 7.83 3.53 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 0.64 0.00 0.00 0.79 0.00 0.00 92 F 8.51 4.11 0.00 3.29 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 93 G 8.09 3.66 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 0.00 0.00 0.00 94 F 8.64 4.28 0.00 3.01 3.24 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 95 I 8.03 3.47 1.83 0.00 0.00 0.42 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 0.59 0.90 0.00 0.00 96 H 8.47 4.12 0.00 3.37 3.57 0.00 5.78 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 97 K 8.11 3.94 0.00 2.08 2.03 0.00 1.69 0.00 0.00 1.99 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.57 7.81 98 L 8.18 3.73 0.00 1.19 1.53 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.98 4.12 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 0.00 100 V 7.64 3.65 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 0.82 0.00 0.00 0.83 0.00 0.00 101 N 8.10 4.77 0.00 2.68 2.71 0.00 0.00 6.71 8.23 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 0.00 102 V 7.07 3.99 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 0.79 0.00 0.00 -0.12 0.00 0.00 103 Q 8.30 3.91 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 104 L 7.86 3.93 0.00 1.84 1.75 0.89 0.83 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 0.00 105 P 0.00 4.18 0.00 2.11 2.02 0.00 3.61 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 2.10 2.07 0.00 106 S 7.88 4.04 0.00 3.94 3.95 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 0.00 107 I 7.95 3.72 1.98 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 1.50 0.79 0.89 0.00 0.00 108 L 8.15 4.14 0.00 1.83 1.69 0.89 0.67 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 0.00 109 S 8.24 4.18 0.00 4.03 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 0.00 110 N 8.09 4.67 0.00 2.90 2.89 0.00 0.00 6.93 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 0.00 111 L 7.32 4.56 0.00 1.75 1.68 0.91 0.77 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 0.00 112 V 6.91 3.76 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 0.76 0.00 0.00 1.00 0.00 0.00 113 P 0.00 4.55 0.00 2.21 2.02 0.00 3.75 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 1.98 1.97 0.00 114 R 8.29 4.19 0.00 1.76 1.80 0.00 3.23 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 1.51 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.