NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3444 0.0000 0.0000 62.0223 32.6631 175.0371 3 K 3.7064 8.4593 118.4585 56.7767 32.6296 174.9027 4 M 4.4464 9.1205 124.6299 54.4275 34.1713 175.2648 5 K 4.5819 8.2259 120.5219 54.3310 34.2070 176.6761 6 T 3.8424 8.5169 113.6576 62.5554 68.9439 173.7203 7 H 4.5196 8.1749 123.7598 54.6550 29.0449 175.6205 8 K 3.9705 8.7762 126.6149 59.6608 31.7852 178.5711 9 G 3.8559 8.2910 103.2444 47.8511 0.0000 174.8300 10 A 4.1327 8.4084 122.8660 54.5096 18.7070 179.2490 11 K 3.9054 7.9556 116.5490 59.8374 32.1895 178.4451 12 K 4.2247 7.9403 117.5860 58.1658 32.1295 177.1869 13 R 4.7354 9.1548 116.5360 54.8309 29.7995 175.1739 14 V 4.9020 6.9570 116.3289 62.7255 33.0856 170.5795 15 K 4.7146 7.8130 121.9630 54.7074 36.2768 174.3937 16 I 4.3701 8.5798 125.2061 60.3076 39.0837 175.1272 17 T 4.4934 8.4123 118.8057 60.2271 70.5449 176.1002 18 A 3.8846 8.4414 126.7323 55.7773 18.8987 179.3914 19 S 4.1267 7.9602 110.8187 62.7020 63.0338 174.2753 20 G 3.2399 7.0942 108.5731 45.0416 0.0000 173.6059 21 K 4.0521 7.6001 120.8819 55.1617 33.1811 175.9067 22 V 4.4391 7.7703 121.3199 61.3955 34.1449 174.4984 23 V 5.4633 8.5061 125.9784 60.5161 34.4292 174.1142 24 A 5.0932 8.3313 129.3911 51.2078 22.5989 173.4029 25 M 4.6746 8.4524 117.0561 54.8697 33.3567 175.2063 26 K 4.6103 8.3775 120.9053 55.4540 35.2252 175.8552 27 T 4.0564 8.4027 114.5428 61.8362 69.7123 173.9982 28 G 3.8804 8.5073 115.9220 45.4565 0.0000 174.5565 29 K 4.6796 7.3024 110.6279 56.4707 33.6563 174.7686 30 R 4.6080 7.9960 117.0362 57.4129 33.5461 176.4410 31 H 4.9830 8.1102 107.5536 54.6958 31.2903 174.1271 32 L 3.6848 8.5858 120.5127 55.6955 40.8947 178.2499 33 N 3.8324 7.6589 115.4765 52.0884 38.5884 173.2008 34 W 4.3096 7.7444 132.7164 56.2283 34.8766 173.0308 35 Q 5.0222 7.2613 130.3128 55.8201 29.7446 172.0592 36 K 4.6031 7.6799 124.5085 54.3038 35.9701 176.3124 37 S 3.9448 8.4956 116.6099 57.3645 64.0034 175.7085 38 G 3.6104 8.8798 112.3135 48.5813 0.0000 175.1897 39 K 3.7030 8.3614 120.9179 59.3532 32.1246 177.5286 40 E 4.1489 8.3562 117.5887 57.6768 29.1333 177.6474 41 I 3.6995 6.2876 127.6057 64.9302 37.8868 177.3644 42 R 3.9052 8.3218 121.0771 59.5721 30.5547 177.6026 43 Q 4.4072 8.3883 118.8463 55.3497 27.0711 177.6341 44 K 4.6322 7.4701 119.7219 54.7874 33.8020 175.7940 45 G 4.2905 7.4550 109.2443 44.1009 0.0000 171.4091 46 R 4.9970 8.5567 118.8280 55.6278 31.5024 175.3054 47 K 4.4497 7.9740 115.7988 56.4280 35.4215 174.3009 48 F 5.9918 8.7516 116.8698 55.3931 42.4009 174.9746 49 V 4.6235 8.5473 114.7202 59.4297 34.7106 174.8179 50 L 4.5162 8.5209 124.4579 54.4925 44.5093 174.9489 51 A 5.0293 8.9555 133.5755 53.7896 16.9213 179.1190 52 K 3.9827 8.0841 114.0624 58.8986 31.6734 176.7930 53 P 3.8897 0.0000 0.0000 66.2109 31.8524 178.5634 54 E 3.7715 7.8768 116.4981 58.1604 30.2976 179.1493 55 A 3.9756 7.7659 121.2344 55.5714 18.3032 179.6148 56 E 3.8874 10.2709 116.3567 59.5046 29.3093 179.8290 57 R 3.9545 7.7338 116.7072 59.0263 30.2551 178.4974 58 I 3.8455 7.9339 119.4524 64.2886 37.0065 178.3564 59 K 4.1269 7.8036 118.7083 59.1084 32.4794 178.8670 60 L 4.7468 7.5446 118.2255 54.1755 40.9003 177.4190 61 L 3.8547 8.2756 118.0980 57.8335 40.9181 178.7311 62 L 3.9843 8.2707 120.7853 56.5912 42.3539 176.6069 63 P 4.3525 0.0000 0.0000 62.8074 32.7391 175.8244 64 Y 3.2024 8.1412 111.1513 60.0772 34.3227 173.1916 *65 E 4.1515 8.4728 121.9459 55.9969 30.5285 173.0312 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 2 P 0.00 4.34 0.00 2.19 2.18 0.00 3.78 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 1.88 1.96 0.00 3 K 8.46 3.71 0.00 1.81 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.53 7.81 4 M 9.12 4.45 0.00 2.05 1.98 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 2.57 2.56 0.00 5 K 8.23 4.58 0.00 1.72 1.72 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 6 T 8.52 3.84 4.29 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 1.28 0.00 0.00 7 H 8.17 4.52 0.00 3.01 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.78 3.97 0.00 1.85 1.88 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.62 7.81 9 G 8.29 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 10 A 8.41 4.13 1.20 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 0.00 0.00 0.00 0.00 0.00 11 K 7.96 3.91 0.00 1.53 1.84 0.00 1.86 0.00 0.00 1.87 0.00 0.00 3.60 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.53 7.81 12 K 7.94 4.22 0.00 1.96 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.72 7.81 13 R 9.15 4.74 0.00 1.84 1.92 0.00 3.13 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 1.75 1.51 0.00 14 V 6.96 4.90 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 0.82 0.00 0.00 0.93 0.00 0.00 15 K 7.81 4.71 0.00 1.91 1.69 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.66 7.81 16 I 8.58 4.37 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 1.12 0.00 0.00 17 T 8.41 4.49 4.26 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 1.27 0.00 0.00 18 A 8.44 3.88 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 19 S 7.96 4.13 0.00 3.78 3.89 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 20 G 7.09 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 0.00 0.00 0.00 21 K 7.60 4.05 0.00 1.13 0.74 0.00 1.45 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.86 1.05 7.81 22 V 7.77 4.44 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 0.93 0.00 0.00 0.87 0.00 0.00 23 V 8.51 5.46 2.15 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 1.10 0.00 0.00 1.06 0.00 0.00 24 A 8.33 5.09 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 25 M 8.45 4.67 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 26 K 8.38 4.61 0.00 1.69 1.68 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.32 7.81 27 T 8.40 4.06 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 28 G 8.51 3.88 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 29 K 7.30 4.68 0.00 1.95 1.80 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.36 7.81 30 R 8.00 4.61 0.00 1.80 1.98 0.00 3.35 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 31 H 8.11 4.98 0.00 3.22 3.32 0.00 5.53 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.59 3.68 0.00 1.69 1.57 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.66 3.83 0.00 2.82 2.95 0.00 0.00 6.63 7.68 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 34 W 7.74 4.31 0.00 3.16 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 35 Q 7.26 5.02 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.47 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 36 K 7.68 4.60 0.00 1.72 1.65 0.00 2.04 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.51 7.81 37 S 8.50 3.94 0.00 3.98 3.98 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 38 G 8.88 3.61 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 0.00 0.00 0.00 0.00 39 K 8.36 3.70 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.49 7.81 40 E 8.36 4.15 0.00 2.19 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 41 I 6.29 3.70 1.86 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 1.18 0.60 0.91 0.00 0.00 42 R 8.32 3.91 0.00 1.83 2.06 0.00 3.25 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 43 Q 8.39 4.41 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 44 K 7.47 4.63 0.00 1.83 1.69 0.00 1.60 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.48 7.81 45 G 7.45 4.29 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 0.00 46 R 8.56 5.00 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 47 K 7.97 4.45 0.00 1.77 1.89 0.00 1.49 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.55 7.81 48 F 8.75 5.99 0.00 2.83 2.86 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 49 V 8.55 4.62 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 0.72 0.00 0.00 0.98 0.00 0.00 50 L 8.52 4.52 0.00 1.56 1.53 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.96 5.03 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 52 K 8.08 3.98 0.00 1.87 1.87 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.49 7.81 53 P 0.00 3.89 0.00 2.15 2.14 0.00 3.58 0.00 0.00 3.72 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 54 E 7.88 3.77 0.00 2.03 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 2.38 2.40 0.00 55 A 7.77 3.98 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 56 E 10.27 3.89 0.00 2.17 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 2.27 2.31 0.00 57 R 7.73 3.95 0.00 1.84 1.98 0.00 3.20 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 58 I 7.93 3.85 2.09 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 1.66 0.73 0.91 0.00 0.00 59 K 7.80 4.13 0.00 1.90 1.83 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.41 1.66 7.81 60 L 7.54 4.75 0.00 1.54 1.53 0.45 0.97 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 61 L 8.28 3.85 0.00 1.75 1.67 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.27 3.98 0.00 1.70 1.82 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.35 0.00 2.68 2.24 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.12 0.00 64 Y 8.14 3.20 0.00 2.99 3.23 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 0.00 *65 E 8.47 4.15 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.