NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3489 8.3001 120.3265 55.1142 33.3668 174.6026 2 A 3.5651 8.1883 125.0678 51.5086 18.6857 175.1015 3 T 4.5797 8.1927 117.9690 60.9558 70.1771 172.2202 4 T 4.5539 8.0735 113.4540 61.0780 69.2199 174.0692 5 K 4.0952 8.1149 122.2449 57.8232 31.5832 176.9492 6 R 4.6603 8.6034 122.0722 55.6958 32.5992 175.4398 7 V 4.7351 7.7567 120.3914 61.3484 33.5679 174.3651 8 L 5.3386 9.1282 127.7209 53.2328 45.1800 174.5719 9 Y 5.0707 9.4658 123.8767 56.4114 41.0136 174.5943 10 V 4.2001 8.0565 126.0374 61.2510 34.3320 174.4261 11 G 4.1288 9.0065 115.5178 44.4582 0.0000 171.9245 12 G 4.1302 8.7780 105.0684 46.1715 0.0000 173.5111 13 L 4.2807 7.7870 119.5160 53.1254 42.7079 177.3782 14 A 4.2974 8.3779 126.3791 51.4840 19.0983 178.0504 15 E 3.9107 8.5067 117.5328 58.9646 29.6721 178.0768 16 E 3.8680 7.6158 117.1635 57.1303 29.8069 176.4653 17 V 4.0221 7.3077 120.0250 61.5900 32.7182 174.5765 18 D 4.8495 8.0909 125.0609 50.9984 42.7057 175.0812 19 D 4.3439 8.6990 117.5496 56.9928 39.0130 178.5483 20 K 4.0163 8.0526 119.3254 59.1838 32.1638 179.3384 21 V 3.6364 8.3460 118.6756 66.0204 31.4962 178.1180 22 L 4.2172 8.0867 118.8010 57.9314 41.4401 178.8968 23 H 4.1904 8.4415 118.0020 59.4595 29.6384 177.2678 24 A 4.0331 7.8912 120.8095 55.0432 18.2300 179.1541 25 A 4.0828 8.1205 118.7048 54.4182 18.9562 178.8591 26 F 4.9951 8.5430 114.5930 58.1839 40.2306 177.8103 27 I 4.1172 8.0628 118.7199 63.2681 37.5081 175.7083 28 P 4.2349 0.0000 0.0000 64.6409 31.1388 177.3969 29 F 4.7567 8.5496 114.9237 56.1811 39.5132 175.7082 30 G 4.5587 6.8942 106.5784 44.2121 0.0000 171.8838 31 D 4.5959 8.1537 119.5621 54.3615 41.4169 175.5086 32 I 4.6790 8.1518 123.1075 59.9477 38.6310 175.6777 33 T 4.3024 8.5439 116.8704 63.4673 70.0348 174.4333 34 D 4.5917 7.4560 118.8560 53.2948 44.7707 174.2970 35 I 4.8983 8.2121 123.7903 59.6242 40.8047 174.2630 36 Q 4.5886 9.3002 128.7907 54.2797 31.8439 174.2197 37 I 4.5699 8.2157 126.1190 58.4818 39.8025 173.2169 38 P 4.3285 0.0000 0.0000 62.7987 32.2297 175.6122 39 L 4.9093 8.2835 123.0070 52.7012 44.7282 175.6757 40 D 4.4815 9.0225 122.4522 54.3430 41.8910 176.3378 41 Y 4.0682 9.0582 127.3859 61.0731 39.0925 177.4724 42 E 4.0960 8.6497 117.8300 59.5773 29.5847 178.4452 43 T 4.0732 8.0804 105.8334 61.4177 69.6106 174.5764 44 E 3.8216 8.2456 121.5678 56.6256 28.8684 173.5046 45 K 4.5898 7.4971 115.2915 54.1158 34.9662 175.4054 46 H 4.8380 8.2085 115.0065 55.6274 29.0449 175.0612 47 R 4.4303 8.3175 117.3604 56.2373 30.1882 177.6668 48 G 4.1143 9.8071 106.8584 44.9532 0.0000 172.8812 49 F 5.2129 7.0427 112.4023 55.8121 41.4118 172.7011 50 A 4.2304 8.1956 119.6422 51.0970 23.3818 175.0102 51 F 5.2566 9.1594 117.8693 55.8302 42.1935 174.8847 52 V 4.5030 8.5448 124.1320 60.9399 33.8189 173.6545 53 E 5.0948 8.9414 129.6092 54.6670 31.3191 175.0309 54 F 4.8854 8.9978 126.1163 56.4199 40.3238 175.9307 55 E 4.1791 9.3039 122.8731 58.9122 29.9053 177.1870 56 L 4.8195 7.9400 118.2296 52.5373 44.5244 177.3751 57 A 4.1710 8.5539 124.0460 55.1469 18.3420 180.0512 58 E 3.9561 8.1077 115.8452 59.5387 29.2673 179.0030 59 D 4.2514 7.9823 119.3397 56.9414 41.0306 178.2942 60 A 3.1326 7.4674 121.0623 54.6727 18.4250 179.5747 61 A 3.8510 7.8960 119.2546 55.0505 18.4060 179.7325 62 A 3.8032 7.6646 118.6759 55.1967 18.4137 179.6552 63 A 2.5800 7.3116 119.1860 54.7429 18.3378 179.8698 64 I 3.6158 7.4327 118.1389 64.6844 37.0080 178.1449 65 D 4.3039 7.6467 117.0254 57.0825 41.0580 177.3055 66 N 4.6356 7.7910 115.3893 54.7525 39.4790 176.4502 67 M 4.3335 8.4629 119.5402 54.9128 32.7592 175.8223 68 N 4.5593 7.5542 118.3385 54.8853 39.3879 174.1450 69 E 3.8770 8.8823 123.8539 57.2315 27.7352 174.6278 70 S 4.5456 7.9354 114.9891 57.3331 64.6263 172.0907 71 E 4.9425 8.3888 120.8292 54.2781 31.1391 174.7125 72 L 4.5244 8.8084 127.2579 54.1324 44.6601 175.9724 73 F 3.5364 9.9062 130.3885 59.2699 37.5641 176.1208 74 G 4.0076 8.2516 105.8582 45.6031 0.0000 173.3568 75 R 4.7481 7.7039 119.2200 54.5762 32.7920 175.6270 76 T 4.7401 8.5601 120.1940 63.3949 69.4104 174.2043 77 I 4.6799 8.7556 119.9160 59.4803 41.0235 174.6085 78 R 4.9936 8.8039 122.7213 54.5789 32.3708 175.1978 79 V 5.5019 8.6401 123.7261 60.1579 34.2499 174.0650 *80 N 4.9499 8.6467 122.8937 51.5138 39.2816 173.5130 81 L 4.5751 8.5603 119.4609 55.0764 42.2770 178.3720 82 A 4.3096 9.1949 125.4776 54.2799 19.1082 177.8576 83 K 4.0089 7.4489 117.8596 57.5607 32.6728 175.2569 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 8.30 4.35 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 8.19 3.57 1.28 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 0.00 0.00 0.00 3 T 8.19 4.58 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 1.21 0.00 0.00 4 T 8.07 4.55 4.25 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 0.00 0.00 1.22 0.00 0.00 5 K 8.11 4.10 0.00 1.80 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.56 7.81 6 R 8.60 4.66 0.00 1.79 2.20 0.00 3.14 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 7 V 7.76 4.74 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 1.03 0.00 0.00 0.93 0.00 0.00 8 L 9.13 5.34 0.00 1.60 1.61 1.14 0.60 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 9 Y 9.47 5.07 0.00 3.26 2.91 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 10 V 8.06 4.20 1.81 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 0.96 0.00 0.00 0.65 0.00 0.00 11 G 9.01 4.13 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 0.00 0.00 0.00 12 G 8.78 4.13 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 0.00 0.00 0.00 13 L 7.79 4.28 0.00 1.54 1.51 0.69 0.57 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 14 A 8.38 4.30 1.28 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 0.00 0.00 0.00 15 E 8.51 3.91 0.00 1.96 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 2.18 2.22 0.00 16 E 7.62 3.87 0.00 1.16 1.13 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 1.90 2.07 0.00 17 V 7.31 4.02 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 0.91 0.00 0.00 18 D 8.09 4.85 0.00 2.85 2.71 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 19 D 8.70 4.34 0.00 2.85 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 20 K 8.05 4.02 0.00 1.97 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.44 7.81 21 V 8.35 3.64 2.31 0.00 0.00 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 22 L 8.09 4.22 0.00 1.89 1.72 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.44 4.19 0.00 3.37 3.43 0.00 5.59 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 24 A 7.89 4.03 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 25 A 8.12 4.08 1.41 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 0.00 0.00 0.00 26 F 8.54 5.00 0.00 3.28 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 27 I 8.06 4.12 2.12 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 1.57 1.45 0.95 0.00 0.00 28 P 0.00 4.23 0.00 1.28 1.78 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 1.82 2.05 0.00 29 F 8.55 4.76 0.00 3.36 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 30 G 6.89 4.56 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 0.00 0.00 0.00 31 D 8.15 4.60 0.00 2.80 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 32 I 8.15 4.68 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.49 0.67 0.00 0.00 33 T 8.54 4.30 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 1.25 0.00 0.00 34 D 7.46 4.59 0.00 2.70 2.44 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 35 I 8.21 4.90 1.77 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 1.04 0.60 0.81 0.00 0.00 36 Q 9.30 4.59 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 37 I 8.22 4.57 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.75 0.00 0.00 38 P 0.00 4.33 0.00 1.71 2.00 0.00 2.97 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 2.01 2.20 0.00 39 L 8.28 4.91 0.00 1.49 1.53 0.89 1.05 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 40 D 9.02 4.48 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 9.06 4.07 0.00 2.92 3.02 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 42 E 8.65 4.10 0.00 2.18 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 2.48 2.46 0.00 43 T 8.08 4.07 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 1.25 0.00 0.00 44 E 8.25 3.82 0.00 2.05 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 2.17 2.18 0.00 45 K 7.50 4.59 0.00 1.87 1.81 0.00 1.33 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.27 7.81 46 H 8.21 4.84 0.00 3.04 3.26 0.00 5.31 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.32 4.43 0.00 1.95 2.16 0.00 3.40 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 48 G 9.81 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 49 F 7.04 5.21 0.00 2.53 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.20 4.23 0.99 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 51 F 9.16 5.26 0.00 2.93 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 52 V 8.54 4.50 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 0.37 0.00 0.00 0.43 0.00 0.00 53 E 8.94 5.09 0.00 2.04 1.86 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 2.22 2.28 0.00 54 F 9.00 4.89 0.00 2.98 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 55 E 9.30 4.18 0.00 2.03 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 0.00 2.38 2.40 0.00 56 L 7.94 4.82 0.00 1.89 1.55 1.00 0.78 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 57 A 8.55 4.17 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 58 E 8.11 3.96 0.00 2.19 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 2.36 2.39 0.00 59 D 7.98 4.25 0.00 2.80 2.65 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 60 A 7.47 3.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.90 3.85 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 62 A 7.66 3.80 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 63 A 7.31 2.58 1.11 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 64 I 7.43 3.62 1.96 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 1.44 0.75 0.97 0.00 0.00 65 D 7.65 4.30 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 66 N 7.79 4.64 0.00 2.57 3.00 0.00 0.00 6.99 7.78 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 67 M 8.46 4.33 0.00 1.86 2.15 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.40 0.00 68 N 7.55 4.56 0.00 2.82 2.77 0.00 0.00 7.23 7.81 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 69 E 8.88 3.88 0.00 2.20 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 2.26 0.00 70 S 7.94 4.55 0.00 4.02 4.04 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 71 E 8.39 4.94 0.00 1.94 1.86 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 2.21 2.28 0.00 72 L 8.81 4.52 0.00 1.70 1.53 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.91 3.54 0.00 3.20 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 74 G 8.25 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 0.00 0.00 0.00 75 R 7.70 4.75 0.00 2.00 1.98 0.00 3.33 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 76 T 8.56 4.74 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 1.24 0.00 0.00 77 I 8.76 4.68 2.01 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 1.52 1.04 1.03 0.00 0.00 78 R 8.80 4.99 0.00 1.89 2.00 0.00 3.28 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 79 V 8.64 5.50 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 1.06 0.00 0.00 1.17 0.00 0.00 *80 N 8.65 4.95 0.00 2.79 2.85 0.00 0.00 6.28 6.67 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 81 L 8.56 4.58 0.00 1.66 1.81 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 A 9.19 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.45 4.01 0.00 1.80 1.70 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.