NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7565 8.1633 120.2804 55.3409 34.2575 173.9017 2 K 4.6734 8.9483 119.9103 53.8429 37.1655 173.6554 3 K 4.6493 10.0107 127.1739 55.7260 34.4108 175.1766 4 I 4.7124 8.8614 129.2680 59.9975 38.6720 173.8365 5 E 5.1785 8.9713 128.9960 54.4781 31.6640 174.6090 6 A 5.0614 9.4230 127.7749 50.3174 23.3791 174.7470 7 I 4.7363 8.4400 122.4095 59.7654 39.6047 175.2564 8 V 4.7850 8.8109 120.4229 58.8824 36.2595 175.9135 9 R 4.0767 8.6635 121.4996 56.5781 30.4375 177.5948 10 A 4.0662 8.9380 124.3999 55.6826 18.0503 179.6467 11 E 4.0412 8.1484 115.3712 59.4742 29.7468 179.1574 12 K 4.1830 8.0859 118.0832 58.3236 32.1531 178.8102 13 F 4.1424 7.8339 120.3487 61.1921 39.1718 175.2913 14 P 3.9625 0.0000 0.0000 65.5906 30.9784 178.4520 15 E 3.8225 7.9359 116.6237 59.3345 29.4252 179.0207 16 V 3.6842 7.1927 119.6698 65.1507 31.5103 177.6801 17 K 3.5777 7.5082 118.8041 59.4671 31.9327 178.3744 18 A 3.8864 7.7706 120.4733 55.2449 18.4973 179.3898 19 A 4.1593 8.2023 119.4999 55.3074 17.9269 179.8141 20 L 4.1820 7.7156 117.1869 57.6945 41.8130 179.4240 21 E 3.3969 7.9933 118.5519 59.0393 29.1968 178.8024 22 E 3.9103 8.4612 119.1472 59.1036 29.7402 177.5657 23 R 4.2318 7.5371 113.8560 55.5487 30.2911 176.1434 24 G 3.4942 7.8973 106.1651 47.1590 0.0000 175.2928 25 F 4.6434 8.4771 118.9630 55.4298 38.6230 175.0824 26 Y 4.4400 7.7686 122.5950 56.9161 39.7346 175.7869 27 G 4.0763 9.1506 106.8925 45.7252 0.0000 173.1671 28 M 4.7286 7.8344 115.8197 54.5628 33.1739 175.3420 29 T 4.6967 8.7788 117.4776 61.8858 71.3051 173.4869 30 V 4.8191 8.4044 125.1935 61.3972 34.2405 174.6804 31 T 4.7135 8.6322 122.9933 61.8237 72.7524 172.6201 32 D 4.8707 8.6237 124.8634 53.9422 42.1704 176.0208 33 V 4.6254 8.5883 115.0699 60.0158 37.0131 173.8402 34 K 5.0649 8.4819 119.6972 55.2832 35.7821 176.2907 35 G 3.9978 9.0981 109.3571 45.3309 0.0000 169.9212 36 R 4.2935 8.5450 121.7394 55.8635 29.8693 175.3488 37 G 4.0271 8.1739 111.0680 42.8249 0.0000 168.5830 38 Q 4.3035 8.4885 126.1511 56.0923 29.3225 177.7561 *52 E 4.3504 8.0466 123.3130 56.0493 30.6633 179.8469 53 V 4.0449 8.5203 127.6517 62.0418 30.4175 172.2394 54 T 4.0356 7.9314 119.4025 61.1814 68.5663 172.7328 55 L 4.4048 8.6493 129.6539 55.1127 42.1838 176.4085 56 L 4.9002 8.6368 124.6835 51.8192 44.6422 174.4431 57 P 4.8097 0.0000 0.0000 63.2983 31.9990 175.4559 58 K 4.7360 9.5419 122.2757 54.7732 37.6051 174.9482 59 V 4.5639 8.5998 121.0221 61.1179 33.7460 174.1091 60 K 4.8110 8.8118 130.4247 55.3489 33.7614 174.8573 61 L 5.2214 9.3712 130.1202 53.3703 45.1722 174.8936 62 E 5.1727 8.9648 124.3996 54.8367 33.9548 174.3657 63 I 4.7167 8.6332 124.7572 59.5510 41.6496 173.5941 64 V 4.6638 8.5272 129.8686 62.0951 32.4286 175.3749 65 V 4.7850 8.9082 120.9063 58.8623 36.2564 175.3679 66 K 4.1983 8.8674 122.3473 57.2086 33.0360 177.2697 67 D 4.3901 9.0721 121.7865 57.9251 40.7838 178.5240 68 D 4.5893 8.1441 114.3298 54.3785 39.8700 176.7033 69 A 4.6942 8.1311 121.7384 51.9121 19.8657 178.3958 70 V 3.4173 7.4985 117.7659 66.1279 31.7033 177.9065 71 E 3.9525 8.0844 117.6983 59.2414 29.2170 178.6225 72 E 3.8830 8.0868 118.9093 59.3936 29.7468 178.8786 73 V 3.3083 7.3101 111.6287 64.4600 31.5277 178.5986 74 I 3.7119 7.6586 119.3731 64.5232 37.1062 178.7294 75 G 3.3927 8.0939 106.2789 47.7270 0.0000 175.7612 76 L 4.0186 8.1201 121.5967 57.5312 41.5543 179.6687 77 I 3.6607 8.0428 120.0790 64.5358 37.0742 178.7027 78 V 3.6237 8.4660 113.9228 64.8262 31.1774 178.4942 79 N 4.4415 7.9096 114.6510 55.5699 38.6124 176.9772 80 S 4.4585 8.0108 114.3172 59.4208 63.4818 175.6785 81 A 4.2707 8.0767 124.4626 53.2230 19.1159 177.4980 82 F 4.3862 7.7617 117.7001 58.3954 39.9716 174.7921 83 T 4.0698 7.9643 115.9157 61.7425 70.4549 175.1608 84 G 3.5445 7.7118 108.1063 44.6849 0.0000 173.4308 85 S 4.6653 7.2895 116.1914 55.8847 64.6709 172.1422 86 P 4.3165 0.0000 0.0000 64.2663 31.5308 176.8347 87 G 4.0462 8.8004 109.3011 45.4737 0.0000 174.3652 88 D 4.2716 7.2772 120.6444 55.4995 41.0942 176.5777 89 G 4.2196 8.7053 102.9606 45.0642 0.0000 171.8371 90 K 4.5954 8.0471 115.6024 54.7534 36.9772 175.4162 91 I 4.7460 7.8128 121.2124 59.5148 40.3647 175.1904 92 F 5.1279 9.2512 124.0673 55.7950 42.6950 174.2198 93 I 4.8242 8.6482 123.6058 59.9813 38.6482 174.8771 94 I 4.6467 8.3732 128.9559 58.3663 39.8106 173.7389 95 P 4.6549 0.0000 0.0000 62.8198 32.0634 175.6422 96 V 4.3298 7.9712 123.6383 61.3661 32.5426 175.4564 97 E 4.1933 8.9792 127.4220 58.8952 30.0157 175.9346 98 D 4.5211 7.3356 114.1965 53.4722 44.2438 174.3273 99 V 4.3817 7.9911 121.7990 60.8720 34.3150 174.7948 100 V 4.3398 8.1097 124.8058 60.6888 33.1949 174.8680 101 R 4.1118 8.5352 129.1109 55.9939 30.5744 177.5036 102 I 3.7049 8.4731 126.5472 64.5662 37.2652 177.3989 103 R 3.9996 7.8293 119.3572 59.5530 30.1845 177.5942 104 T 3.9916 7.7735 107.6093 62.4219 69.3423 175.9957 105 G 3.9881 8.0883 109.2523 45.1047 0.0000 173.6573 106 E 4.1062 7.5581 117.1202 56.3274 30.2380 176.6379 107 R 5.2590 7.5969 119.6156 54.7186 33.7722 175.5119 108 G 3.9515 8.5955 107.0018 46.1058 0.0000 173.6063 109 D 4.4629 8.6358 116.5786 57.6214 41.2340 178.7478 110 D 4.3633 8.1476 118.8098 57.2397 40.5694 178.2793 111 S 4.0999 7.8571 112.6050 61.0475 62.3762 175.4802 112 L 4.4137 7.6231 121.9803 56.0512 41.7524 177.1963 113 E 4.1929 8.1111 120.3695 56.1301 29.6250 182.1488 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 4.76 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 2 K 8.95 4.67 0.00 1.60 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.60 7.81 3 K 10.01 4.65 0.00 1.81 1.69 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 4 I 8.86 4.71 1.83 0.00 0.00 0.80 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 0.76 0.86 0.00 0.00 5 E 8.97 5.18 0.00 2.15 1.99 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 2.43 2.33 0.00 6 A 9.42 5.06 1.16 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 0.00 0.00 7 I 8.44 4.74 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.92 0.00 0.00 8 V 8.81 4.78 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 0.77 0.00 0.00 1.13 0.00 0.00 9 R 8.66 4.08 0.00 1.88 2.09 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 A 8.94 4.07 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 11 E 8.15 4.04 0.00 1.94 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 2.32 2.48 0.00 12 K 8.09 4.18 0.00 1.96 1.87 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.72 7.81 13 F 7.83 4.14 0.00 3.20 3.26 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 0.00 0.00 0.00 14 P 0.00 3.96 0.00 2.16 2.07 0.00 3.79 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 15 E 7.94 3.82 0.00 2.14 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 2.37 2.34 0.00 16 V 7.19 3.68 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 1.31 0.00 0.00 1.03 0.00 0.00 17 K 7.51 3.58 0.00 0.84 1.57 0.00 1.71 0.00 0.00 1.45 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 18 A 7.77 3.89 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 19 A 8.20 4.16 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 20 L 7.72 4.18 0.00 1.81 1.91 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.99 3.40 0.00 2.11 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 2.30 0.00 22 E 8.46 3.91 0.00 1.85 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 0.00 2.30 2.28 0.00 23 R 7.54 4.23 0.00 2.11 2.02 0.00 3.51 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 24 G 7.90 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.48 4.64 0.00 3.03 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 26 Y 7.77 4.44 0.00 2.98 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 27 G 9.15 4.08 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 0.00 28 M 7.83 4.73 0.00 2.12 2.16 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 2.67 2.69 0.00 29 T 8.78 4.70 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 1.22 0.00 0.00 30 V 8.40 4.82 1.99 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 0.27 0.00 0.00 1.01 0.00 0.00 31 T 8.63 4.71 4.21 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 1.19 0.00 0.00 32 D 8.62 4.87 0.00 2.52 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 33 V 8.59 4.63 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 0.77 0.00 0.00 0.98 0.00 0.00 34 K 8.48 5.06 0.00 1.58 1.65 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.40 7.81 35 G 9.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 4.29 0.00 1.85 1.94 0.00 3.22 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 37 G 8.17 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 0.00 0.00 0.00 38 Q 8.49 4.30 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 *52 E 8.05 4.35 0.00 1.98 1.21 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 2.21 2.25 0.00 53 V 8.52 4.04 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 0.93 0.00 0.00 54 T 7.93 4.04 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 55 L 8.65 4.40 0.00 1.57 1.62 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.64 4.90 0.00 1.58 1.54 0.92 0.69 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 57 P 0.00 4.81 0.00 2.06 2.06 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 58 K 9.54 4.74 0.00 1.62 1.69 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.56 7.81 59 V 8.60 4.56 1.99 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 0.26 0.00 0.00 0.80 0.00 0.00 60 K 8.81 4.81 0.00 1.92 1.77 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.42 7.81 61 L 9.37 5.22 0.00 1.79 1.72 1.04 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.96 5.17 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 63 I 8.63 4.72 1.91 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 1.14 1.66 0.93 0.00 0.00 64 V 8.53 4.66 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 0.87 0.00 0.00 0.95 0.00 0.00 65 V 8.91 4.78 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 0.69 0.00 0.00 0.84 0.00 0.00 66 K 8.87 4.20 0.00 1.96 2.09 0.00 1.59 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.59 1.68 7.81 67 D 9.07 4.39 0.00 2.73 2.81 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 68 D 8.14 4.59 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.69 1.51 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 70 V 7.50 3.42 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 0.99 0.00 0.00 1.00 0.00 0.00 71 E 8.08 3.95 0.00 2.00 1.96 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 2.39 2.30 0.00 72 E 8.09 3.88 0.00 2.05 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 2.48 2.46 0.00 73 V 7.31 3.31 1.71 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 -0.53 0.00 0.00 0.78 0.00 0.00 74 I 7.66 3.71 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 1.40 0.93 0.87 0.00 0.00 75 G 8.09 3.39 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 0.00 76 L 8.12 4.02 0.00 1.80 1.69 0.99 0.84 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 77 I 8.04 3.66 1.82 0.00 0.00 0.80 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 0.69 0.90 0.00 0.00 78 V 8.47 3.62 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 0.99 0.00 0.00 0.92 0.00 0.00 79 N 7.91 4.44 0.00 2.76 2.81 0.00 0.00 7.05 7.22 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 80 S 8.01 4.46 0.00 3.98 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 81 A 8.08 4.27 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 82 F 7.76 4.39 0.00 3.14 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 83 T 7.96 4.07 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 1.14 0.00 0.00 84 G 7.71 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.29 4.67 0.00 3.76 3.71 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 86 P 0.00 4.32 0.00 2.01 1.97 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 87 G 8.80 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 0.00 0.00 0.00 88 D 7.28 4.27 0.00 2.78 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 89 G 8.71 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 0.00 0.00 0.00 90 K 8.05 4.60 0.00 1.30 0.93 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.37 7.81 91 I 7.81 4.75 1.75 0.00 0.00 0.80 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 0.50 0.87 0.00 0.00 92 F 9.25 5.13 0.00 2.92 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 93 I 8.65 4.82 1.91 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 1.37 0.85 0.92 0.00 0.00 94 I 8.37 4.65 1.90 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 1.28 0.73 0.91 0.00 0.00 95 P 0.00 4.65 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 96 V 7.97 4.33 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 0.83 0.00 0.00 0.93 0.00 0.00 97 E 8.98 4.19 0.00 2.00 1.99 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 2.30 2.29 0.00 98 D 7.34 4.52 0.00 2.56 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 99 V 7.99 4.38 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 0.97 0.00 0.00 0.95 0.00 0.00 100 V 8.11 4.34 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 0.87 0.00 0.00 0.94 0.00 0.00 101 R 8.54 4.11 0.00 1.92 1.80 0.00 3.16 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 102 I 8.47 3.70 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 1.31 0.66 0.92 0.00 0.00 103 R 7.83 4.00 0.00 1.77 1.93 0.00 3.23 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.77 3.99 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 8.09 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 0.00 106 E 7.56 4.11 0.00 2.13 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 2.31 2.35 0.00 107 R 7.60 5.26 0.00 1.79 2.23 0.00 3.42 0.00 0.00 3.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 108 G 8.60 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 0.00 0.00 0.00 109 D 8.64 4.46 0.00 2.73 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 0.00 110 D 8.15 4.36 0.00 2.92 2.87 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 0.00 111 S 7.86 4.10 0.00 4.04 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 0.00 112 L 7.62 4.41 0.00 1.83 1.75 0.96 0.95 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 0.00 113 E 8.11 4.19 0.00 1.98 1.73 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 2.26 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.