NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 P 4.3584 0.0000 0.0000 62.6426 31.6800 173.3193 23 F 4.5302 8.2934 126.8641 55.5771 40.7398 173.5409 24 R 4.1773 8.6570 126.0694 54.2067 33.5134 173.5852 25 F 4.4052 8.0794 117.4742 56.8710 39.0298 176.6468 26 S 4.9831 8.2800 119.8199 57.8478 65.4530 174.9097 27 P 4.3804 0.0000 0.0000 65.2053 31.3455 176.3376 28 E 4.6848 7.7106 115.5009 52.8123 31.7179 173.7579 29 P 4.3890 0.0000 0.0000 62.6602 31.9690 176.6724 30 T 4.1209 10.2495 116.8774 63.3418 70.4877 175.1550 31 L 4.1641 8.3176 121.8350 58.1427 41.9588 177.3836 32 E 3.8370 8.3088 118.7771 60.0302 29.3176 178.3747 33 D 4.3634 7.8954 118.7403 57.5214 40.5356 179.1473 34 I 3.7864 7.6243 120.0093 63.8638 36.9112 178.2155 35 R 3.9312 8.0133 119.3540 58.9047 29.8328 178.4560 36 R 4.0380 7.7815 118.3750 59.5106 30.4656 178.2884 37 L 4.1837 8.1848 118.9512 57.1667 41.8938 177.6756 38 H 4.6851 7.7660 117.4930 56.0201 29.9846 175.0043 39 A 4.4766 7.9281 120.4431 53.1535 21.5567 178.2305 40 E 4.2571 7.8796 116.1229 58.8649 29.4923 178.5024 41 F 3.8633 7.8837 119.3219 61.2948 39.3094 177.0438 42 A 3.8892 7.9660 117.7539 54.4851 18.5721 178.9232 43 A 4.6640 7.8305 120.0328 55.1559 18.1879 178.4765 44 E 4.5368 7.4822 114.6604 56.5306 29.3657 176.0401 45 R 4.6615 7.6900 117.3705 54.2148 34.6375 173.8996 46 D 4.3961 8.8911 117.4501 54.7675 40.8005 175.8274 47 W 4.0167 8.6010 135.0000 60.5917 31.3159 177.1345 48 E 4.0644 8.4261 118.5885 59.0953 29.0775 178.7101 49 Q 3.9806 7.5947 119.9040 58.4974 29.4953 176.0658 50 F 4.2754 8.5938 115.8799 57.7613 38.9568 176.2884 51 H 4.4727 7.6348 118.5482 55.6679 30.9608 174.9024 52 Q 4.0649 8.0572 121.7217 54.9445 29.7804 174.1481 53 P 4.1652 0.0000 0.0000 66.1711 31.4365 178.7031 54 R 3.8931 8.3451 116.1468 59.0199 29.8615 178.8874 55 N 4.2112 8.2975 117.0494 56.0775 38.6669 177.4190 56 L 3.6321 7.5457 119.8957 57.4845 41.6790 178.9485 57 L 3.8839 7.9656 120.4213 58.2258 42.1342 179.0626 58 L 3.7226 7.6928 118.7338 57.5248 41.5114 179.5630 59 A 3.6332 7.5092 121.0366 54.6251 17.8475 179.4899 60 L 3.9646 7.6078 118.7844 58.4243 42.3048 179.0975 61 V 3.6997 8.4721 118.9223 66.1435 31.0909 178.2749 62 G 3.5225 8.0136 105.2429 47.6619 0.0000 175.3274 63 E 4.0193 8.0623 122.0169 59.1372 29.7511 179.1870 64 V 3.6945 9.4694 118.3217 65.5121 31.3427 178.3966 65 G 3.5330 8.5204 106.2059 47.8452 0.0000 175.7525 66 E 4.0336 9.6787 121.4343 58.5393 29.1266 179.3821 67 L 3.9895 7.9882 119.9483 58.0905 42.5137 178.1340 68 A 4.0582 7.9285 120.6672 55.8644 18.2121 179.6100 69 E 3.8493 7.9955 116.2997 58.9675 29.1944 178.5214 70 L 4.6641 7.6386 118.1934 55.1161 42.0813 177.5112 71 F 4.7072 8.1633 112.0791 57.4559 43.7219 176.0226 72 Q 3.6454 8.0796 120.5121 58.6460 28.0021 177.8360 73 W 4.9314 7.3788 114.5045 55.7339 29.6376 176.2384 74 K 4.3567 7.4344 118.6634 55.9885 32.4082 177.0340 75 S 4.4016 9.7746 120.4760 58.1995 63.2684 175.3013 76 D 4.4989 8.9080 125.4207 57.2976 40.1614 177.0340 77 T 4.2436 7.1517 115.0801 63.4869 69.5547 173.9986 78 E 3.7470 7.6377 122.3283 53.4553 32.2136 174.8979 79 P 4.1406 0.0000 0.0000 61.8452 30.3895 176.1354 80 G 4.0180 8.9390 113.0226 45.2710 0.0000 171.7958 81 P 2.0000 0.0000 0.0000 64.3317 31.3090 178.1770 82 Q 3.7064 7.4405 115.2256 58.2177 29.1940 176.8003 83 A 4.5103 7.8024 122.4000 51.3090 18.2448 174.9046 84 W 5.2335 7.3325 120.3366 54.4901 33.6977 173.3000 85 P 4.6344 0.0000 0.0000 62.4227 31.6417 175.3295 86 P 4.4093 0.0000 0.0000 64.3234 31.2342 177.8822 87 K 4.2968 8.0533 115.8976 57.6279 32.0106 177.7608 88 E 4.3838 7.9526 118.6874 58.6102 30.5264 178.1271 89 R 3.6483 7.8209 117.2686 59.0532 29.7356 178.6490 90 A 4.0438 8.1935 120.4361 55.6671 18.1895 179.5477 91 A 4.8587 7.6901 119.3431 54.0230 18.8848 179.5652 92 L 4.0398 8.8197 120.0070 58.4887 42.1576 179.0018 93 Q 4.0563 8.8802 119.8573 58.6324 28.8978 178.0632 94 E 3.9482 7.7894 118.7323 59.4313 29.6400 178.9584 95 E 4.0839 9.2185 119.5134 59.0227 29.3845 179.6039 96 L 3.9223 7.8276 118.9440 58.0156 41.7387 179.3566 97 S 4.0376 8.2224 115.2604 61.9497 62.7480 176.7555 98 D 3.9695 8.6059 121.7138 57.0281 40.6132 178.9634 99 V 3.7832 8.0420 119.1032 65.7242 31.3829 177.7861 100 L 4.0169 7.8887 120.1497 57.6497 41.8997 178.8545 101 I 3.4667 7.5959 119.9992 64.6048 36.5904 178.0956 102 Y 4.3747 7.9781 117.5788 60.5021 37.6179 178.1675 103 L 4.0094 7.9080 121.8956 57.9971 42.2155 179.0667 104 V 3.5566 8.4616 118.6790 65.8793 31.4662 177.8817 105 A 4.0122 8.3686 121.0139 55.4613 18.2022 178.7574 106 L 3.8870 7.9907 118.3687 57.3871 42.0147 178.8821 107 A 3.9421 8.2664 120.0778 55.3260 18.5888 179.0617 108 A 3.9368 8.1138 119.0536 55.8039 18.2196 179.7323 109 R 4.0667 7.7510 115.5298 59.5892 30.1778 177.5864 110 C 4.3727 8.0071 113.5778 59.1661 28.4361 173.0682 111 H 4.2264 8.4394 116.9057 56.5866 26.6206 174.5757 112 V 3.9439 7.9505 119.0986 62.3404 32.5795 176.5364 113 D 4.6338 8.6690 129.1913 54.4442 40.0239 176.7228 114 L 3.7340 7.3231 126.6126 57.1673 43.1823 175.6481 115 P 4.2218 0.0000 0.0000 66.1029 31.0921 178.2996 116 Q 4.1200 8.7561 116.6320 58.6182 28.6214 178.4571 117 A 3.9925 7.8968 121.4050 55.3041 18.2719 179.4282 118 V 3.5309 8.0968 115.4439 67.1323 31.5889 177.3418 119 I 3.3348 7.3814 114.5718 66.0143 36.9321 176.8822 120 S 4.1548 7.9917 114.4660 61.3853 62.9508 176.4551 121 K 3.7557 8.0062 119.3489 58.2489 32.3906 177.3227 *123 D 4.6496 8.0979 118.0765 55.1045 43.0756 177.9206 124 T 3.8657 12.0000 115.3560 66.7388 68.2164 176.5899 125 N 4.4156 8.9765 117.9494 56.2115 38.5796 177.1124 126 R 4.0621 7.9175 118.9537 59.0737 30.6295 177.6360 127 Q 3.9852 9.1644 119.3234 57.6183 28.4337 179.4363 128 R 3.8763 5.8400 119.5042 57.1915 31.8369 175.6894 129 Y 4.3761 7.5862 120.5225 54.0240 38.5336 172.7375 130 P 4.4621 0.0000 0.0000 61.8614 32.4088 177.1487 131 V 3.9319 8.2359 115.0711 61.5458 32.2468 175.1070 132 H 4.9536 8.6094 121.0704 54.6989 31.8944 173.1600 133 L 4.9163 7.9977 133.4887 54.5748 40.0739 177.0476 134 S 4.3507 8.6780 123.4732 59.4051 63.0963 173.5600 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 22 P 0.00 4.36 0.00 2.20 2.17 0.00 3.74 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 1.97 0.00 23 F 8.29 4.53 0.00 3.04 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 24 R 8.66 4.18 0.00 1.69 1.70 0.00 2.98 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 25 F 8.08 4.41 0.00 2.88 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 26 S 8.28 4.98 0.00 3.85 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 27 P 0.00 4.38 0.00 2.21 2.15 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 28 E 7.71 4.68 0.00 2.05 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 2.18 2.32 0.00 29 P 0.00 4.39 0.00 2.18 2.08 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 30 T 10.25 4.12 4.32 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 1.24 0.00 0.00 31 L 8.32 4.16 0.00 1.71 1.64 0.92 0.74 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 32 E 8.31 3.84 0.00 2.11 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 2.39 2.49 0.00 33 D 7.90 4.36 0.00 2.90 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 34 I 7.62 3.79 1.95 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 1.35 1.07 0.82 0.00 0.00 35 R 8.01 3.93 0.00 1.71 2.27 0.00 3.27 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 36 R 7.78 4.04 0.00 1.93 2.19 0.00 3.25 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 37 L 8.18 4.18 0.00 1.71 1.74 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.77 4.69 0.00 2.84 3.15 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.93 4.48 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 40 E 7.88 4.26 0.00 2.08 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 2.36 2.49 0.00 41 F 7.88 3.86 0.00 3.33 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 42 A 7.97 3.89 1.18 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 0.00 0.00 43 A 7.83 4.66 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 0.00 0.00 0.00 0.00 0.00 44 E 7.48 4.54 0.00 1.99 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 0.00 2.34 2.43 0.00 45 R 7.69 4.66 0.00 1.97 1.92 0.00 3.25 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 46 D 8.89 4.40 0.00 2.79 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 47 W 8.60 4.02 0.00 3.42 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 48 E 8.43 4.06 0.00 2.11 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 2.53 2.33 0.00 49 Q 7.59 3.98 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.39 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 50 F 8.59 4.28 0.00 3.04 2.88 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 51 H 7.63 4.47 0.00 2.76 2.86 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.06 4.06 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 53 P 0.00 4.17 0.00 2.16 2.08 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 54 R 8.35 3.89 0.00 2.00 1.95 0.00 3.09 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 55 N 8.30 4.21 0.00 2.79 2.58 0.00 0.00 6.84 6.51 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 56 L 7.55 3.63 0.00 1.78 1.71 0.94 0.82 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 57 L 7.97 3.88 0.00 1.71 1.66 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.69 3.72 0.00 1.64 1.60 0.85 0.89 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 59 A 7.51 3.63 0.33 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 60 L 7.61 3.96 0.00 1.99 1.87 1.00 0.74 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 61 V 8.47 3.70 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 0.92 0.00 0.00 0.96 0.00 0.00 62 G 8.01 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 0.00 0.00 0.00 63 E 8.06 4.02 0.00 2.50 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 0.00 2.45 2.55 0.00 64 V 9.47 3.69 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 0.92 0.00 0.00 0.97 0.00 0.00 65 G 8.52 3.53 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 0.00 0.00 0.00 66 E 9.68 4.03 0.00 2.03 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 2.54 2.59 0.00 67 L 7.99 3.99 0.00 1.82 1.86 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.93 4.06 1.35 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 69 E 8.00 3.85 0.00 2.09 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 0.00 2.22 2.26 0.00 70 L 7.64 4.66 0.00 2.05 1.93 1.06 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.16 4.71 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 3.65 0.00 1.39 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.95 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 73 W 7.38 4.93 0.00 3.23 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 74 K 7.43 4.36 0.00 1.76 1.70 0.00 1.30 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.14 7.81 75 S 9.77 4.40 0.00 3.96 3.92 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 76 D 8.91 4.50 0.00 2.71 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 77 T 7.15 4.24 4.28 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 1.24 0.00 0.00 78 E 7.64 3.75 0.00 2.11 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 2.45 2.43 0.00 79 P 0.00 4.14 0.00 2.20 2.19 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 80 G 8.94 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 0.00 0.00 0.00 81 P 0.00 2.00 0.00 1.60 1.28 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.64 0.00 82 Q 7.44 3.71 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.59 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 83 A 7.80 4.51 1.27 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 0.00 0.00 84 W 7.33 5.23 0.00 3.27 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 P 0.00 4.63 0.00 2.24 2.05 0.00 4.03 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 86 P 0.00 4.41 0.00 2.18 2.10 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 87 K 8.05 4.30 0.00 1.88 1.88 0.00 1.56 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.61 7.81 88 E 7.95 4.38 0.00 2.59 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 0.00 2.37 2.48 0.00 89 R 7.82 3.65 0.00 1.89 1.84 0.00 3.13 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.64 0.00 90 A 8.19 4.04 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 91 A 7.69 4.86 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 92 L 8.82 4.04 0.00 2.19 2.25 1.34 -0.29 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 93 Q 8.88 4.06 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 94 E 7.79 3.95 0.00 2.31 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 2.64 0.00 95 E 9.22 4.08 0.00 1.90 2.21 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 2.61 2.57 0.00 96 L 7.83 3.92 0.00 1.90 1.66 0.96 0.56 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 97 S 8.22 4.04 0.00 3.89 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 98 D 8.61 3.97 0.00 2.74 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 99 V 8.04 3.78 2.23 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 0.98 0.00 0.00 0.96 0.00 0.00 100 L 7.89 4.02 0.00 1.74 1.65 0.87 0.96 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 0.00 101 I 7.60 3.47 1.19 0.00 0.00 0.50 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 0.61 0.17 0.00 0.00 102 Y 7.98 4.37 0.00 3.04 3.15 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 0.00 0.00 0.00 0.00 103 L 7.91 4.01 0.00 1.88 1.78 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.46 3.56 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 0.95 0.00 0.00 0.89 0.00 0.00 105 A 8.37 4.01 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.99 3.89 0.00 1.93 1.82 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.27 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.11 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.75 4.07 0.00 1.82 2.20 0.00 3.32 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 110 C 8.01 4.37 0.00 3.13 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 0.00 111 H 8.44 4.23 0.00 3.20 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.95 3.94 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 0.73 0.00 0.00 1.00 0.00 0.00 113 D 8.67 4.63 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 3.73 0.00 1.81 1.61 0.92 0.95 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 0.00 115 P 0.00 4.22 0.00 2.19 2.12 0.00 4.01 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 116 Q 8.76 4.12 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 117 A 7.90 3.99 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 0.00 118 V 8.10 3.53 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 0.99 0.00 0.00 119 I 7.38 3.33 2.11 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 1.41 0.92 0.95 0.00 0.00 120 S 7.99 4.15 0.00 3.85 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 0.00 121 K 8.01 3.76 0.00 1.98 1.99 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.49 7.81 *123 D 8.10 4.65 0.00 2.95 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 0.00 124 T 12.00 3.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 125 N 8.98 4.42 0.00 2.60 2.92 0.00 0.00 7.06 7.54 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 0.00 126 R 7.92 4.06 0.00 1.81 2.15 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 127 Q 9.16 3.99 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.20 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 128 R 5.84 3.88 0.00 1.94 1.93 0.00 3.21 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 129 Y 7.59 4.38 0.00 3.02 2.89 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 0.00 130 P 0.00 4.46 0.00 2.12 2.00 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 131 V 8.24 3.93 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 0.67 0.00 0.00 0.96 0.00 0.00 132 H 8.61 4.95 0.00 3.16 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.00 4.92 0.00 1.67 0.95 0.93 0.90 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 0.00 134 S 8.68 4.35 0.00 3.94 3.80 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 * Residues marked with a * may have inaccurate shift predictions.