NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1173 8.2649 123.5841 51.6901 20.6682 176.4582 2 K 3.4381 7.8750 121.5748 55.5178 29.2964 174.0551 3 Q 3.9518 8.4081 125.3220 59.2873 29.8728 178.0990 4 S 4.1141 8.2016 114.3440 62.2322 62.8091 176.3155 5 M 4.0000 7.9812 122.2865 57.5079 30.2559 178.2578 6 K 3.8018 8.7034 119.9530 59.7465 32.1547 178.3305 7 A 4.3583 8.1758 120.3623 54.2719 18.3215 179.2839 8 R 3.8065 7.5985 117.0809 59.6539 30.4252 177.9219 9 E 4.0136 8.0197 118.3683 59.3057 29.6887 178.5074 10 V 3.6672 7.0896 116.5674 66.2754 31.4752 177.7924 11 K 3.8623 7.7755 117.3958 59.9290 32.1161 179.4889 12 R 3.9670 7.7066 117.5438 59.1531 29.7383 179.1808 13 V 3.5519 7.8832 118.1647 65.6750 31.5642 177.4853 14 A 4.0862 8.0051 119.7988 55.4882 17.9853 178.9598 15 L 3.9018 7.6484 115.3782 58.3748 42.0987 179.2868 16 A 4.9428 7.7696 120.9426 54.9056 18.1647 179.2356 17 D 4.3599 7.9123 116.7622 57.1559 41.1086 178.9396 18 K 4.1040 8.6029 117.8313 56.5803 32.6067 176.6594 19 Y 4.3323 8.4208 113.8533 58.0294 38.2024 177.6423 20 F 4.5953 5.9020 129.1908 61.6034 40.0152 177.5155 21 A 4.0236 7.9675 122.8249 54.9324 18.0548 178.5000 22 K 5.4403 8.2857 111.0589 55.4800 33.0624 177.0410 23 R 4.4759 7.8267 118.1944 57.4765 33.1812 177.3151 24 A 3.8149 9.0018 121.4076 54.8885 18.5173 178.9996 25 E 3.9182 8.6341 114.3962 60.0443 29.0378 179.4736 26 L 3.8125 8.1657 121.4935 58.3716 42.1594 178.2047 27 K 3.7149 8.1847 117.6964 60.8854 31.9210 178.1510 28 A 4.1067 7.9641 124.9348 51.6463 19.1088 178.0074 29 I 4.3547 7.7218 117.6555 60.6705 36.0463 179.5962 30 I 3.5447 8.7428 135.0000 64.4892 36.8829 176.7555 31 S 5.1644 7.9700 115.5621 58.0107 62.8618 172.9018 32 D 4.8144 8.0067 119.2292 51.7938 44.1202 175.6709 33 V 3.8831 8.1839 121.5568 63.5029 31.6431 174.7758 34 N 4.9990 8.8695 125.1915 53.5832 42.0190 175.4250 35 A 4.3155 9.0042 131.2980 53.9916 21.1219 179.0767 *40 R 4.1786 7.5618 114.1788 55.5874 30.9215 175.8963 41 W 4.9932 8.2592 127.0154 54.8192 33.5971 173.5109 42 N 4.3542 8.8330 125.5173 56.7416 38.6052 175.9936 43 A 4.1459 7.7873 121.7535 55.2880 18.6749 179.8850 44 V 3.7527 8.1622 116.9840 64.8501 31.3036 177.9337 45 L 4.1290 8.5118 120.2186 57.0860 41.9979 178.0808 46 K 4.3413 7.7880 116.5729 57.3998 32.7434 178.0803 47 L 4.1765 7.8412 121.8320 57.7793 41.8600 178.3289 48 Q 4.1217 8.3129 115.5414 58.6584 28.4073 177.1200 49 T 4.1730 7.7064 115.5609 63.9989 67.5088 173.0393 50 L 4.6969 7.8455 135.0000 55.4136 43.8376 173.5508 51 P 3.6783 0.0000 0.0000 64.9921 32.0140 176.4138 52 R 3.8470 7.7482 120.1361 56.3615 29.3779 176.5434 53 D 4.4793 8.4638 121.5061 56.3982 41.8371 177.5349 54 S 4.2831 7.5699 113.4540 59.6334 62.6982 173.8936 55 S 4.9147 8.1726 117.2488 58.4477 63.1830 172.7042 56 P 4.4719 0.0000 0.0000 66.0536 31.5315 178.6605 57 S 4.2865 7.8675 114.8782 58.8120 62.0928 174.5903 58 R 4.5136 7.8547 116.7670 55.7868 31.8278 176.0614 59 Q 4.5588 7.7373 115.8608 54.5173 29.9000 175.9419 60 R 4.3791 9.4642 112.2857 55.8238 29.9533 174.6053 61 N 3.8838 8.3251 115.1242 51.4984 37.3445 172.1017 62 R 4.2327 7.2712 122.3187 54.8747 30.3756 175.9645 63 C 4.3523 8.3504 120.5940 59.3564 31.9965 174.0108 64 R 3.9515 8.4156 127.7943 59.8465 29.6671 177.6324 65 Q 4.0901 8.1376 115.2077 58.5465 28.5406 176.8488 66 T 4.1649 8.1064 107.1009 59.7702 69.9818 175.1330 67 G 4.8805 8.3445 126.7082 45.1259 0.0000 171.3567 68 R 3.8988 7.6866 120.9340 55.5551 29.8599 175.3075 69 P 4.3291 0.0000 0.0000 65.5190 33.1752 177.2567 70 H 4.1462 8.8262 115.3617 56.8100 26.7641 176.4010 71 G 4.1928 9.2230 126.0953 46.2103 0.0000 173.0019 72 F 5.5138 8.5687 127.4572 56.2208 43.4258 174.2225 73 L 4.0838 6.8394 122.6297 52.9552 44.2403 177.2263 74 R 3.6988 8.3410 123.9355 59.1612 29.6695 177.7941 75 K 3.4542 7.1473 115.8694 60.2793 32.4975 177.1277 76 F 4.5004 7.0341 116.9392 58.0908 39.2864 177.4041 77 G 3.8975 8.4786 108.9715 45.8388 0.0000 173.0136 78 L 4.7451 7.1528 118.8783 52.2398 44.6693 176.0641 79 S 5.2871 8.5784 113.7189 57.2346 63.7489 175.2069 80 R 3.9690 8.6877 118.9150 60.3003 28.5637 178.5715 81 I 3.7246 7.7673 119.7939 63.6661 37.3145 177.8052 82 K 3.8206 7.7813 118.3807 60.0631 31.9992 178.8368 83 V 3.4854 7.7839 117.7614 66.4771 31.2826 177.7937 84 R 3.8310 7.6518 117.3275 59.4550 29.7823 178.0706 85 E 3.8661 8.0498 117.2808 59.3364 29.9110 178.5029 86 A 4.0498 8.6573 120.6288 55.2387 18.4479 179.2039 87 A 3.8113 8.5360 119.7554 55.9162 17.9812 179.8443 88 M 4.0450 7.6376 115.9270 58.3199 32.1693 178.3082 89 R 4.2641 7.8803 115.3596 55.9329 30.3535 176.7851 90 G 3.8600 7.5051 106.9015 46.6725 0.0000 175.2190 91 E 4.0690 8.2742 121.0173 57.6757 29.9611 177.0844 92 I 4.2377 7.3425 119.8109 58.5388 38.0805 173.6615 93 P 4.2555 0.0000 0.0000 63.7179 31.8538 176.6486 94 G 4.4022 8.7901 108.1482 46.1027 0.0000 172.4291 95 L 4.6551 7.2801 120.9873 52.5993 43.5130 175.7130 96 K 4.4746 8.3756 123.4119 55.0342 35.2608 174.9430 97 K 3.7084 8.7111 118.5838 56.8985 31.8656 176.5370 98 A 4.5428 8.5139 127.3230 51.6722 19.5847 176.3653 99 S 4.6211 8.1669 114.4296 57.4614 65.5866 174.8189 100 W 4.2627 7.9460 118.0582 57.4525 27.1990 174.1670 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 A 8.26 4.12 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 2 K 7.88 3.44 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.43 7.81 3 Q 8.41 3.95 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 4 S 8.20 4.11 0.00 4.08 4.14 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 0.00 0.00 0.00 0.00 5 M 7.98 4.00 0.00 2.04 2.42 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 6 K 8.70 3.80 0.00 1.89 1.99 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.48 7.81 7 A 8.18 4.36 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 8 R 7.60 3.81 0.00 1.99 2.12 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 9 E 8.02 4.01 0.00 2.13 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 2.27 2.33 0.00 10 V 7.09 3.67 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 0.98 0.00 0.00 0.93 0.00 0.00 11 K 7.78 3.86 0.00 1.89 1.85 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.64 7.81 12 R 7.71 3.97 0.00 2.02 1.98 0.00 3.11 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 13 V 7.88 3.55 2.28 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 1.05 0.00 0.00 1.01 0.00 0.00 14 A 8.01 4.09 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 15 L 7.65 3.90 0.00 1.60 1.67 0.85 0.79 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 16 A 7.77 4.94 1.49 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 17 D 7.91 4.36 0.00 2.77 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 18 K 8.60 4.10 0.00 1.77 1.92 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.71 7.81 19 Y 8.42 4.33 0.00 3.16 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 0.00 0.00 0.00 0.00 20 F 5.90 4.60 0.00 3.42 3.03 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 21 A 7.97 4.02 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 22 K 8.29 5.44 0.00 1.69 1.77 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.46 7.81 23 R 7.83 4.48 0.00 2.06 2.14 0.00 3.27 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 24 A 9.00 3.81 1.03 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 25 E 8.63 3.92 0.00 2.16 2.25 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 2.49 2.35 0.00 26 L 8.17 3.81 0.00 1.95 1.73 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.18 3.71 0.00 2.00 1.92 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.66 1.52 7.81 28 A 7.96 4.11 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 29 I 7.72 4.35 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 0.84 0.00 0.00 30 I 8.74 3.54 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.45 0.00 0.00 31 S 7.97 5.16 0.00 4.04 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 32 D 8.01 4.81 0.00 2.60 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 33 V 8.18 3.88 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 0.95 0.00 0.00 34 N 8.87 5.00 0.00 2.59 2.42 0.00 0.00 7.06 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 35 A 9.00 4.32 1.02 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 *40 R 7.56 4.18 0.00 1.93 2.11 0.00 3.27 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 41 W 8.26 4.99 0.00 3.38 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 42 N 8.83 4.35 0.00 2.68 2.75 0.00 0.00 7.19 7.96 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 43 A 7.79 4.15 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 44 V 8.16 3.75 2.32 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 1.02 0.00 0.00 0.99 0.00 0.00 45 L 8.51 4.13 0.00 1.71 2.01 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.79 4.34 0.00 1.97 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.71 7.81 47 L 7.84 4.18 0.00 1.86 1.93 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.31 4.12 0.00 2.37 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 49 T 7.71 4.17 4.33 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 1.22 0.00 0.00 50 L 7.85 4.70 0.00 1.57 1.59 0.91 1.10 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 51 P 0.00 3.68 0.00 1.34 1.14 0.00 4.08 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.36 0.00 52 R 7.75 3.85 0.00 2.03 1.75 0.00 3.24 0.00 0.00 3.35 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 53 D 8.46 4.48 0.00 2.63 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 54 S 7.57 4.28 0.00 3.34 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 55 S 8.17 4.91 0.00 3.96 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 56 P 0.00 4.47 0.00 2.23 2.34 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 57 S 7.87 4.29 0.00 3.88 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 58 R 7.85 4.51 0.00 1.94 1.90 0.00 3.32 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 59 Q 7.74 4.56 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.22 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 60 R 9.46 4.38 0.00 1.68 1.84 0.00 3.16 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 61 N 8.33 3.88 0.00 1.80 1.42 0.00 0.00 7.13 7.66 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 62 R 7.27 4.23 0.00 1.93 2.02 0.00 3.23 0.00 0.00 2.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 63 C 8.35 4.35 0.00 3.05 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 64 R 8.42 3.95 0.00 2.08 2.03 0.00 3.41 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 65 Q 8.14 4.09 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 66 T 8.11 4.16 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 1.23 0.00 0.00 67 G 8.34 4.88 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 0.00 0.00 0.00 68 R 7.69 3.90 0.00 1.95 2.03 0.00 3.18 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 69 P 0.00 4.33 0.00 2.07 2.13 0.00 3.78 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 1.96 1.97 0.00 70 H 8.83 4.15 0.00 3.22 2.99 0.00 5.74 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 71 G 9.22 4.19 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 0.00 0.00 0.00 72 F 8.57 5.51 0.00 3.06 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 73 L 6.84 4.08 0.00 1.27 1.08 0.94 0.74 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 74 R 8.34 3.70 0.00 1.70 2.07 0.00 3.29 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.72 0.00 75 K 7.15 3.45 0.00 1.20 0.74 0.00 1.52 0.00 0.00 1.50 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.64 1.05 7.81 76 F 7.03 4.50 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 77 G 8.48 3.90 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 0.00 0.00 0.00 78 L 7.15 4.75 0.00 1.96 1.63 1.05 0.83 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 79 S 8.58 5.29 0.00 4.12 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 80 R 8.69 3.97 0.00 2.09 2.33 0.00 2.99 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 81 I 7.77 3.72 1.90 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 1.66 0.60 0.93 0.00 0.00 82 K 7.78 3.82 0.00 1.93 1.91 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.66 7.81 83 V 7.78 3.49 2.28 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 0.97 0.00 0.00 1.14 0.00 0.00 84 R 7.65 3.83 0.00 1.74 2.10 0.00 3.17 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 1.63 1.65 0.00 85 E 8.05 3.87 0.00 2.00 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 2.32 2.33 0.00 86 A 8.66 4.05 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 87 A 8.54 3.81 1.26 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 0.00 0.00 88 M 7.64 4.05 0.00 1.98 2.27 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 2.62 2.92 0.00 89 R 7.88 4.26 0.00 1.89 1.95 0.00 3.23 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 90 G 7.51 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 0.00 0.00 0.00 91 E 8.27 4.07 0.00 1.92 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 2.28 2.44 0.00 92 I 7.34 4.24 1.63 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.36 0.53 0.00 0.00 93 P 0.00 4.26 0.00 2.22 2.16 0.00 3.80 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 2.08 1.96 0.00 94 G 8.79 4.40 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 0.00 95 L 7.28 4.66 0.00 1.30 1.42 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.38 4.47 0.00 1.86 1.72 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.48 7.81 97 K 8.71 3.71 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 98 A 8.51 4.54 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.62 0.00 3.91 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 0.00 100 W 7.95 4.26 0.00 3.36 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 * Residues marked with a * may have inaccurate shift predictions.