#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn9 s ALA 4 N 0.00 2.64 -0.09 -1.28 0.00 -0.12 -4.52 121.76 118.39 3dn9 s ALA 4 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.44 3dn9 s ALA 4 Cb 0.00 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 3dn9 s ALA 4 CO 0.00 -1.01 -0.24 0.54 0.00 0.00 0.00 175.76 175.05 3dn9 s VAL 5 N -2.45 2.04 0.06 0.00 0.11 -0.01 -2.02 120.40 118.14 3dn9 s VAL 5 Ca 0.64 -1.02 0.09 0.00 -2.93 0.00 0.00 61.98 58.76 3dn9 s VAL 5 Cb -0.18 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 32.89 3dn9 s VAL 5 CO 0.40 0.56 -0.24 -0.83 -3.33 0.00 0.00 175.10 171.66 3dn9 s GLY 6 N 0.20 1.31 -0.11 6.54 0.00 -0.39 -1.26 107.32 113.60 3dn9 s GLY 6 Ca -0.14 -1.22 -0.13 0.00 0.00 0.00 0.00 44.72 43.23 3dn9 s GLY 6 CO 0.07 -1.14 0.35 -3.16 0.00 0.00 0.00 173.10 169.21 3dn9 s MET 7 N -1.40 0.46 -0.10 2.90 0.23 -0.61 -0.78 119.30 120.00 3dn9 s MET 7 Ca 0.10 0.37 0.02 0.00 -1.03 0.00 0.00 55.69 55.16 3dn9 s MET 7 Cb -0.10 0.22 0.01 0.00 -1.53 0.00 0.00 34.83 33.43 3dn9 s MET 7 CO 0.03 -0.07 -0.17 0.42 -2.03 0.00 0.00 175.02 173.19 3dn9 s ILE 8 N -0.08 1.61 -0.16 3.16 1.01 -0.85 -1.84 121.20 124.05 3dn9 s ILE 8 Ca -0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3dn9 s ILE 8 Cb -0.03 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3dn9 s ILE 8 CO 0.01 0.46 0.01 -0.70 0.00 0.00 0.00 174.94 174.72 3dn9 s GLU 9 N 0.75 3.73 0.14 2.79 2.12 0.83 -2.04 118.70 127.03 3dn9 s GLU 9 Ca -0.11 -0.44 0.10 0.00 0.36 0.00 0.00 54.97 54.89 3dn9 s GLU 9 Cb -0.16 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3dn9 s GLU 9 CO 0.02 0.30 -0.24 0.99 -0.54 0.00 0.00 175.26 175.80 3dn9 s THR 10 N 0.23 2.46 -0.59 -1.70 2.01 0.43 -0.08 115.64 118.41 3dn9 s THR 10 Ca 0.00 -1.75 -0.22 0.00 0.31 0.00 0.00 61.69 60.04 3dn9 s THR 10 Cb -0.13 -2.12 0.06 0.00 0.01 0.00 0.00 72.50 70.32 3dn9 s THR 10 CO 0.02 0.04 0.86 -0.22 -0.69 0.00 0.00 174.62 174.63 3dn9 s LEU 11 N -2.23 4.53 0.00 4.42 0.20 -0.42 -1.87 118.68 123.31 3dn9 s LEU 11 Ca 0.17 -0.82 0.00 0.00 0.69 0.00 0.00 54.13 54.16 3dn9 s LEU 11 Cb -0.10 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.12 3dn9 s LEU 11 CO 0.08 -1.22 0.00 0.61 -0.29 0.00 0.00 176.35 175.53 3dn9 n GLY 12 N 5.22 3.20 0.10 7.98 0.00 -0.93 -3.84 105.19 116.93 3dn9 n GLY 12 Ca -0.03 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 3dn9 n GLY 12 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dn9 h PHE 13 N 0.00 0.17 -0.85 1.61 3.57 -1.91 -3.31 116.94 116.22 3dn9 h PHE 13 Ca 0.00 -0.13 0.19 0.00 3.53 0.00 0.00 57.97 61.56 3dn9 h PHE 13 Cb 0.00 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3dn9 h PHE 13 CO 0.00 1.33 0.57 -1.35 -2.23 0.00 0.00 178.31 176.63 3dn9 h PRO 14 N -0.75 0.36 -0.24 6.41 0.11 -1.99 -0.58 132.00 135.31 3dn9 h PRO 14 Ca -0.20 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 3dn9 h PRO 14 Cb 1.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3dn9 h PRO 14 CO -0.03 0.24 -0.22 0.00 -0.21 0.00 0.00 178.00 177.78 3dn9 h ALA 15 N 1.62 1.17 0.00 -0.75 0.00 -1.91 -2.81 119.26 116.59 3dn9 h ALA 15 Ca 0.43 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3dn9 h ALA 15 Cb 1.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3dn9 h ALA 15 CO -0.15 0.53 -0.53 -0.24 0.00 0.00 0.00 179.25 178.87 3dn9 h VAL 16 N 0.40 1.23 -0.06 0.00 3.04 -1.20 -1.49 116.25 118.18 3dn9 h VAL 16 Ca 0.06 -1.90 -0.24 0.00 -1.01 0.00 0.00 66.70 63.62 3dn9 h VAL 16 Cb 0.61 2.06 0.01 0.00 -2.01 0.00 0.00 31.29 31.96 3dn9 h VAL 16 CO 0.04 0.52 -0.91 0.58 -1.01 0.00 0.00 177.57 176.79 3dn9 h VAL 17 N 0.00 1.31 -0.15 1.51 2.07 -1.37 0.17 116.25 119.80 3dn9 h VAL 17 Ca -0.01 -2.19 -0.03 0.00 0.82 0.00 0.00 66.70 65.30 3dn9 h VAL 17 Cb 1.02 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3dn9 h VAL 17 CO 0.07 0.67 -0.01 -0.08 0.02 0.00 0.00 177.57 178.24 3dn9 h GLU 18 N 0.40 0.27 -0.17 1.57 4.57 -1.40 0.15 114.58 119.97 3dn9 h GLU 18 Ca -0.08 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.05 3dn9 h GLU 18 Cb 1.54 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 30.04 3dn9 h GLU 18 CO 0.17 0.52 -0.26 0.00 -1.18 0.00 0.00 179.01 178.26 3dn9 h ALA 19 N 0.74 -0.23 -0.31 2.92 0.00 -1.24 1.00 119.26 122.14 3dn9 h ALA 19 Ca 0.04 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dn9 h ALA 19 Cb 0.40 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3dn9 h ALA 19 CO 0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 179.25 178.45 3dn9 h ALA 20 N 0.64 0.19 0.22 0.00 0.00 -0.56 -0.33 119.26 119.41 3dn9 h ALA 20 Ca 0.11 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dn9 h ALA 20 Cb 0.48 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dn9 h ALA 20 CO -0.35 -0.48 -0.10 0.22 0.00 0.00 0.00 179.25 178.54 3dn9 h ASP 21 N -0.02 -0.24 -0.86 0.00 3.58 -0.33 -2.48 116.42 116.06 3dn9 h ASP 21 Ca 0.15 -0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.65 3dn9 h ASP 21 Cb 0.25 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 3dn9 h ASP 21 CO -0.33 -0.10 0.56 0.28 -2.88 0.00 0.00 179.24 176.76 3dn9 h SER 22 N -0.37 0.74 -0.07 2.28 0.02 -0.63 -2.11 113.55 113.41 3dn9 h SER 22 Ca -0.03 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3dn9 h SER 22 Cb 0.29 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3dn9 h SER 22 CO 0.05 0.43 0.00 0.24 -1.14 0.00 0.00 176.83 176.41 3dn9 h MET 23 N 0.82 0.13 0.00 3.45 2.86 -0.64 -2.23 114.93 119.32 3dn9 h MET 23 Ca 0.40 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3dn9 h MET 23 Cb 0.45 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3dn9 h MET 23 CO -0.17 0.40 0.00 -0.24 1.06 0.00 0.00 176.91 177.96 3dn9 h VAL 24 N -0.16 0.00 0.03 -2.22 3.04 -1.21 -2.93 116.25 112.81 3dn9 h VAL 24 Ca 0.02 -0.63 -0.26 0.00 -1.01 0.00 0.00 66.70 64.82 3dn9 h VAL 24 Cb 0.34 1.62 -0.03 0.00 -2.01 0.00 0.00 31.29 31.21 3dn9 h VAL 24 CO 0.00 0.00 -1.31 0.11 -1.01 0.00 0.00 177.57 175.36 3dn9 h LYS 25 N 0.00 0.07 0.00 4.17 1.57 -1.37 -3.38 116.57 117.63 3dn9 h LYS 25 Ca 0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3dn9 h LYS 25 Cb 0.79 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 3dn9 h LYS 25 CO 0.00 0.91 -0.05 0.00 -0.57 0.00 0.00 179.45 179.73 3dn9 h ALA 26 N 0.86 0.98 -2.61 3.86 0.00 -1.20 -3.48 119.26 117.67 3dn9 h ALA 26 Ca -0.14 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.85 3dn9 h ALA 26 Cb 1.90 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.61 3dn9 h ALA 26 CO 0.13 0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.83 3dn9 s ALA 27 N -3.37 -1.46 -1.23 0.00 0.00 -1.23 -4.79 121.76 109.67 3dn9 s ALA 27 Ca 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 3dn9 s ALA 27 Cb 0.07 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.93 3dn9 s ALA 27 CO 0.63 -1.04 1.78 1.03 0.00 0.00 0.00 175.76 178.16 3dn9 s ARG 28 N -3.47 3.47 0.04 0.00 0.52 -1.26 -4.76 118.95 113.48 3dn9 s ARG 28 Ca 0.12 -1.63 0.02 0.00 -0.52 0.00 0.00 55.73 53.72 3dn9 s ARG 28 Cb -0.03 -5.42 -0.02 0.00 0.52 0.00 0.00 34.95 29.99 3dn9 s ARG 28 CO 0.04 -2.80 -0.08 0.14 0.02 0.00 0.00 175.30 172.62 3dn9 s VAL 29 N 6.49 0.59 -0.20 3.52 -7.23 -1.26 -4.38 120.40 117.91 3dn9 s VAL 29 Ca 0.58 -0.99 -0.16 0.00 -1.81 0.00 0.00 61.98 59.60 3dn9 s VAL 29 Cb 0.02 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 3dn9 s VAL 29 CO 0.08 -0.29 0.43 -0.89 -0.31 0.00 0.00 175.10 174.11 3dn9 s THR 30 N -1.20 5.17 -0.39 5.32 2.01 0.06 -4.85 115.64 121.76 3dn9 s THR 30 Ca -0.08 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 3dn9 s THR 30 Cb -0.09 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.69 3dn9 s THR 30 CO 0.00 0.23 1.09 -0.22 -0.69 0.00 0.00 174.62 175.04 3dn9 s LEU 31 N 1.44 3.81 -0.51 4.42 2.96 -1.26 -1.58 118.68 127.96 3dn9 s LEU 31 Ca 0.20 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 3dn9 s LEU 31 Cb -0.15 -3.53 0.44 0.00 0.50 0.00 0.00 46.19 43.44 3dn9 s LEU 31 CO 0.08 -1.03 1.55 1.33 -1.32 0.00 0.00 176.35 176.96 3dn9 n VAL 32 N 6.28 2.99 -0.73 1.68 0.24 0.17 -5.00 118.33 123.94 3dn9 n VAL 32 Ca 0.12 -3.96 0.00 0.00 -2.04 0.00 0.00 64.34 58.46 3dn9 n VAL 32 Cb 0.48 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 3dn9 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dn9 n GLY 33 N -0.71 -2.74 3.09 7.63 0.00 -1.25 -4.63 105.19 106.57 3dn9 n GLY 33 Ca 0.50 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 3dn9 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dn9 s TYR 34 N -0.71 0.69 -0.08 1.61 -0.85 -1.26 -1.77 117.35 114.98 3dn9 s TYR 34 Ca 0.00 -0.68 0.05 0.00 -0.52 0.00 0.00 57.07 55.92 3dn9 s TYR 34 Cb 0.00 -0.42 -0.00 0.00 0.38 0.00 0.00 41.96 41.92 3dn9 s TYR 34 CO 0.00 -0.14 -0.24 -2.00 -1.52 0.00 0.00 175.55 171.65 3dn9 s GLU 35 N -2.47 2.86 -0.14 -3.49 2.56 0.30 -4.91 118.70 113.41 3dn9 s GLU 35 Ca -0.02 -0.88 -0.05 0.00 0.00 0.00 0.00 54.97 54.01 3dn9 s GLU 35 Cb -0.04 -2.24 -0.04 0.00 2.00 0.00 0.00 34.13 33.82 3dn9 s GLU 35 CO -0.02 0.25 0.03 0.15 -0.56 0.00 0.00 175.26 175.11 3dn9 s LYS 36 N 0.16 3.56 -0.02 4.30 1.02 -1.26 0.10 119.74 127.60 3dn9 s LYS 36 Ca -0.13 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.50 3dn9 s LYS 36 Cb -0.16 -3.01 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3dn9 s LYS 36 CO 0.07 0.44 0.85 0.44 -0.92 0.00 0.00 175.35 176.23 3dn9 n ILE 37 N 2.97 0.64 0.00 2.17 -5.35 -0.83 -5.04 119.36 113.92 3dn9 n ILE 37 Ca -0.18 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 3dn9 n ILE 37 Cb 0.53 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 3dn9 n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dn9 n GLY 38 N -0.39 -0.72 2.45 3.28 0.00 -1.26 -4.91 105.19 103.64 3dn9 n GLY 38 Ca 0.02 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 3dn9 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dn9 n SER 39 N -1.54 -5.39 -1.27 1.61 7.64 -1.26 -2.12 113.62 111.28 3dn9 n SER 39 Ca 0.00 0.22 -0.12 0.00 1.01 0.00 0.00 58.87 59.97 3dn9 n SER 39 Cb 0.00 -4.50 -0.02 0.00 -1.01 0.00 0.00 64.21 58.68 3dn9 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dn9 n GLY 40 N -0.83 0.34 3.50 0.23 0.00 -1.26 -4.97 105.19 102.20 3dn9 n GLY 40 Ca -0.21 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 3dn9 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dn9 s ARG 41 N -4.11 3.74 0.02 1.61 0.52 -0.90 -2.18 118.95 117.65 3dn9 s ARG 41 Ca 0.00 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 3dn9 s ARG 41 Cb 0.00 -3.48 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 3dn9 s ARG 41 CO 0.00 -0.21 -0.10 0.14 0.02 0.00 0.00 175.30 175.15 3dn9 s VAL 42 N 1.67 0.81 -0.05 3.52 -7.23 -0.78 -1.97 120.40 116.37 3dn9 s VAL 42 Ca 0.06 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 3dn9 s VAL 42 Cb -0.16 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 36.06 3dn9 s VAL 42 CO 0.07 -0.01 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.90 3dn9 s THR 43 N -0.72 0.67 0.03 5.32 2.01 0.12 -0.43 115.64 122.65 3dn9 s THR 43 Ca -0.00 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 3dn9 s THR 43 Cb -0.07 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 3dn9 s THR 43 CO 0.01 0.26 0.31 -0.69 -0.69 0.00 0.00 174.62 173.82 3dn9 s VAL 44 N 1.00 5.24 -0.02 3.82 1.01 -0.87 0.11 120.40 130.69 3dn9 s VAL 44 Ca -0.10 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3dn9 s VAL 44 Cb -0.14 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3dn9 s VAL 44 CO -0.00 0.34 -0.05 -0.63 0.00 0.00 0.00 175.10 174.75 3dn9 s ILE 45 N -1.33 0.51 0.15 2.22 1.01 -0.73 -2.02 121.20 121.01 3dn9 s ILE 45 Ca 0.29 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3dn9 s ILE 45 Cb -0.13 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 3dn9 s ILE 45 CO 0.17 0.18 -0.05 0.68 0.00 0.00 0.00 174.94 175.92 3dn9 s VAL 46 N 0.39 0.87 -0.01 2.92 -7.23 0.04 -0.66 120.40 116.72 3dn9 s VAL 46 Ca -0.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 3dn9 s VAL 46 Cb -0.09 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.92 3dn9 s VAL 46 CO -0.00 -0.66 -0.05 -0.13 -0.31 0.00 0.00 175.10 173.95 3dn9 s ARG 47 N -3.83 0.52 0.00 4.82 1.81 -0.62 -1.27 118.95 120.38 3dn9 s ARG 47 Ca 0.19 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 3dn9 s ARG 47 Cb 0.05 -0.52 0.00 0.00 -0.45 0.00 0.00 34.95 34.03 3dn9 s ARG 47 CO 0.01 0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.12 3dn9 n GLY 48 N 3.16 -1.36 3.58 -3.53 0.00 -0.85 -0.76 105.19 105.42 3dn9 n GLY 48 Ca -0.16 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 3dn9 n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dn9 n ASP 49 N 1.33 0.55 -0.36 1.61 9.92 -1.26 -0.94 116.55 127.39 3dn9 n ASP 49 Ca 0.00 0.88 0.05 0.00 -0.53 0.00 0.00 54.79 55.19 3dn9 n ASP 49 Cb 0.00 -1.32 0.21 0.00 -0.64 0.00 0.00 41.12 39.37 3dn9 n ASP 49 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 3dn9 h VAL 50 N 0.84 0.96 0.00 2.53 3.04 -1.91 -0.41 116.25 121.31 3dn9 h VAL 50 Ca -0.46 -0.35 -0.13 0.00 -1.01 0.00 0.00 66.70 64.75 3dn9 h VAL 50 Cb 1.36 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 3dn9 h VAL 50 CO 0.52 0.19 -0.60 0.77 -1.01 0.00 0.00 177.57 177.44 3dn9 h SER 51 N 1.02 0.00 -0.10 3.17 4.64 -2.00 -1.81 113.55 118.47 3dn9 h SER 51 Ca 0.47 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.64 3dn9 h SER 51 Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3dn9 h SER 51 CO -0.24 0.60 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.48 3dn9 h GLU 52 N 0.00 0.53 -0.84 4.77 4.39 -1.71 -2.50 114.58 119.21 3dn9 h GLU 52 Ca -0.01 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3dn9 h GLU 52 Cb 1.16 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 3dn9 h GLU 52 CO 0.08 1.06 0.54 0.28 -1.16 0.00 0.00 179.01 179.80 3dn9 h VAL 53 N 0.13 1.22 0.06 3.13 2.07 -1.03 0.39 116.25 122.21 3dn9 h VAL 53 Ca -0.03 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3dn9 h VAL 53 Cb 1.15 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3dn9 h VAL 53 CO 0.11 0.22 -0.03 1.56 0.02 0.00 0.00 177.57 179.45 3dn9 h GLN 54 N 1.14 -0.07 -0.64 1.57 4.20 -1.34 -0.34 115.11 119.63 3dn9 h GLN 54 Ca 0.30 0.00 0.13 0.00 0.06 0.00 0.00 58.65 59.15 3dn9 h GLN 54 Cb -0.10 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.59 3dn9 h GLN 54 CO -0.06 0.05 0.09 0.00 -0.67 0.00 0.00 178.83 178.23 3dn9 h ALA 55 N 0.76 0.72 -0.29 3.87 0.00 -1.09 -1.86 119.26 121.38 3dn9 h ALA 55 Ca -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dn9 h ALA 55 Cb 0.16 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3dn9 h ALA 55 CO 0.01 -0.35 0.10 0.77 0.00 0.00 0.00 179.25 179.79 3dn9 h SER 56 N 0.20 0.41 -0.34 0.00 0.02 -0.52 -2.45 113.55 110.88 3dn9 h SER 56 Ca 0.34 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 3dn9 h SER 56 Cb 0.55 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3dn9 h SER 56 CO -0.48 0.49 -0.14 0.58 -1.14 0.00 0.00 176.83 176.14 3dn9 h VAL 57 N 0.32 1.29 -0.24 2.27 2.07 -0.67 -0.04 116.25 121.25 3dn9 h VAL 57 Ca 0.10 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.41 3dn9 h VAL 57 Cb 0.22 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3dn9 h VAL 57 CO -0.01 0.41 0.02 0.74 0.02 0.00 0.00 177.57 178.75 3dn9 h THR 58 N 0.48 0.85 -0.74 2.57 2.02 -1.38 0.40 112.91 117.12 3dn9 h THR 58 Ca 0.08 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3dn9 h THR 58 Cb 0.67 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3dn9 h THR 58 CO 0.05 0.02 0.35 0.00 0.37 0.00 0.00 175.52 176.30 3dn9 h ALA 59 N 1.19 0.96 -0.28 6.16 0.00 -1.28 -2.22 119.26 123.80 3dn9 h ALA 59 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dn9 h ALA 59 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dn9 h ALA 59 CO -0.17 0.54 0.16 0.78 0.00 0.00 0.00 179.25 180.55 3dn9 h GLY 60 N 1.05 0.41 0.86 0.00 0.00 -0.41 -2.38 103.07 102.60 3dn9 h GLY 60 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3dn9 h GLY 60 CO -0.03 0.18 0.04 -2.22 0.00 0.00 0.00 176.54 174.51 3dn9 h ILE 61 N 0.34 1.16 -0.51 2.60 2.04 -0.85 -3.14 117.51 119.15 3dn9 h ILE 61 Ca 0.10 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.58 3dn9 h ILE 61 Cb 0.05 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 3dn9 h ILE 61 CO -0.02 0.14 0.03 -0.33 0.00 0.00 0.00 178.15 177.98 3dn9 h GLU 62 N 0.01 0.15 0.00 2.37 5.08 -1.36 -2.95 114.58 117.87 3dn9 h GLU 62 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3dn9 h GLU 62 Cb 0.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dn9 h GLU 62 CO -0.00 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 3dn9 n ASN 63 N -5.20 0.00 0.06 1.42 3.02 -0.90 -2.30 115.26 111.37 3dn9 n ASN 63 Ca 0.06 0.46 0.11 0.00 -0.03 0.00 0.00 54.58 55.17 3dn9 n ASN 63 Cb 0.27 -0.48 0.44 0.00 -0.61 0.00 0.00 39.78 39.40 3dn9 n ASN 63 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3dn9 n ILE 64 N -1.48 0.70 0.23 2.41 -6.64 -1.11 -1.43 119.36 112.04 3dn9 n ILE 64 Ca 0.07 0.11 0.07 0.00 -1.77 0.00 0.00 62.75 61.23 3dn9 n ILE 64 Cb 0.30 -0.90 0.59 0.00 -1.44 0.00 0.00 39.64 38.19 3dn9 n ILE 64 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 3dn9 h ARG 65 N 0.00 0.04 -0.12 6.28 3.08 -1.62 -2.41 114.38 119.63 3dn9 h ARG 65 Ca 0.00 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3dn9 h ARG 65 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3dn9 h ARG 65 CO 0.00 0.07 -0.30 0.00 -1.07 0.00 0.00 179.97 178.67 3dn9 h ARG 66 N 0.04 0.22 -6.26 0.04 3.08 -1.44 -3.44 114.38 106.63 3dn9 h ARG 66 Ca 0.01 -0.08 -0.56 0.00 0.07 0.00 0.00 59.98 59.42 3dn9 h ARG 66 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3dn9 h ARG 66 CO 0.00 0.50 0.66 0.08 -1.07 0.00 0.00 179.97 180.15 3dn9 s VAL 67 N -4.38 4.53 -0.07 2.04 1.01 -0.91 -5.00 120.40 117.63 3dn9 s VAL 67 Ca -0.05 1.83 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 3dn9 s VAL 67 Cb 0.14 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3dn9 s VAL 67 CO 0.75 -0.02 1.73 0.20 0.00 0.00 0.00 175.10 177.76 3dn9 s ASN 68 N 1.31 6.53 0.00 3.32 0.01 -1.26 -2.57 114.94 122.28 3dn9 s ASN 68 Ca 0.51 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 3dn9 s ASN 68 Cb -0.21 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3dn9 s ASN 68 CO 0.18 -1.04 0.00 0.61 -1.51 0.00 0.00 177.10 175.34 3dn9 n GLY 69 N 4.35 0.65 3.80 0.66 0.00 -1.26 -5.03 105.19 108.36 3dn9 n GLY 69 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3dn9 n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dn9 s GLY 70 N -1.97 2.72 -0.02 -0.02 0.00 -1.06 -4.97 107.32 101.99 3dn9 s GLY 70 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.01 3dn9 s GLY 70 CO 0.00 0.71 0.05 -0.54 0.00 0.00 0.00 173.10 173.32 3dn9 s GLU 71 N -1.87 0.02 -0.18 2.90 2.02 -1.25 -4.91 118.70 115.43 3dn9 s GLU 71 Ca 0.44 0.15 -0.21 0.00 0.02 0.00 0.00 54.97 55.37 3dn9 s GLU 71 Cb -0.18 -0.10 -0.03 0.00 0.10 0.00 0.00 34.13 33.92 3dn9 s GLU 71 CO 0.23 -0.09 0.62 0.08 0.02 0.00 0.00 175.26 176.12 3dn9 s VAL 72 N 0.56 5.04 -0.19 2.63 1.01 -1.26 -1.29 120.40 126.90 3dn9 s VAL 72 Ca -0.05 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 3dn9 s VAL 72 Cb -0.06 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 3dn9 s VAL 72 CO -0.02 0.14 0.17 0.18 0.00 0.00 0.00 175.10 175.57 3dn9 n LEU 73 N 4.82 2.21 -3.97 3.92 4.77 0.88 -4.90 117.00 124.72 3dn9 n LEU 73 Ca -0.02 0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 3dn9 n LEU 73 Cb 0.50 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 3dn9 n LEU 73 CO 0.44 0.55 0.14 -0.94 -1.33 0.00 0.00 177.39 176.25 3dn9 s SER 74 N -6.98 -0.08 0.01 -1.43 1.04 -1.10 -5.02 113.70 100.14 3dn9 s SER 74 Ca -0.28 -0.89 -0.27 0.00 0.48 0.00 0.00 55.95 54.99 3dn9 s SER 74 Cb 0.07 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.81 3dn9 s SER 74 CO 0.64 -1.08 0.61 0.54 0.98 0.00 0.00 173.24 174.93 3dn9 s ASN 75 N -3.00 -0.57 0.06 7.02 2.20 -1.26 -0.12 114.94 119.27 3dn9 s ASN 75 Ca 0.21 0.44 -0.27 0.00 -0.94 0.00 0.00 52.86 52.31 3dn9 s ASN 75 Cb 0.00 0.52 0.08 0.00 -2.00 0.00 0.00 41.25 39.86 3dn9 s ASN 75 CO 0.06 -0.68 0.69 -2.28 -2.94 0.00 0.00 177.10 171.95 3dn9 s HIS 76 N -1.89 -0.53 -0.02 1.54 2.46 -0.77 -5.03 115.29 111.06 3dn9 s HIS 76 Ca -0.08 0.55 0.02 0.00 0.47 0.00 0.00 55.06 56.02 3dn9 s HIS 76 Cb -0.01 0.51 0.00 0.00 -0.13 0.00 0.00 32.58 32.95 3dn9 s HIS 76 CO 0.03 -0.70 -0.08 0.42 -2.47 0.00 0.00 174.74 171.94 3dn9 s ILE 77 N -2.78 0.66 -0.15 0.89 1.01 -1.26 -1.57 121.20 118.01 3dn9 s ILE 77 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3dn9 s ILE 77 Cb -0.01 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.89 3dn9 s ILE 77 CO -0.05 0.21 -0.22 -0.63 0.00 0.00 0.00 174.94 174.25 3dn9 s ILE 78 N 0.10 2.07 0.02 2.92 1.01 -0.39 -5.01 121.20 121.92 3dn9 s ILE 78 Ca -0.01 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 3dn9 s ILE 78 Cb -0.07 -1.83 -0.23 0.00 0.01 0.00 0.00 42.46 40.35 3dn9 s ILE 78 CO 0.00 0.55 1.13 0.00 0.00 0.00 0.00 174.94 176.61 3dn9 h ALA 79 N 7.41 0.10 -2.20 9.38 0.00 -1.93 0.02 119.26 132.04 3dn9 h ALA 79 Ca -0.34 -0.58 -0.57 0.00 0.00 0.00 0.00 54.91 53.42 3dn9 h ALA 79 Cb 1.18 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.59 3dn9 h ALA 79 CO 0.57 0.40 -0.78 -2.13 0.00 0.00 0.00 179.25 177.32 3dn9 n ARG 80 N -4.17 2.55 -1.90 0.00 0.63 -1.26 -3.13 116.66 109.39 3dn9 n ARG 80 Ca -0.10 -4.45 -0.41 0.00 -0.92 0.00 0.00 57.85 51.97 3dn9 n ARG 80 Cb 0.70 -2.08 -0.02 0.00 0.45 0.00 0.00 32.46 31.51 3dn9 n ARG 80 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3dn9 s PRO 81 N -3.02 4.20 0.35 -0.14 0.04 -1.26 -4.91 135.00 130.25 3dn9 s PRO 81 Ca 0.45 2.43 -0.28 0.00 0.04 0.00 0.00 61.00 63.65 3dn9 s PRO 81 Cb 0.27 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 3dn9 s PRO 81 CO -0.11 -0.52 1.34 -1.58 0.04 0.00 0.00 177.00 176.17 3dn9 s HIS 82 N -0.04 2.93 0.39 0.56 2.46 -1.26 -4.90 115.29 115.44 3dn9 s HIS 82 Ca 0.61 1.37 0.14 0.00 0.47 0.00 0.00 55.06 57.66 3dn9 s HIS 82 Cb -0.45 -3.74 0.99 0.00 -0.13 0.00 0.00 32.58 29.26 3dn9 s HIS 82 CO 0.46 -2.08 1.85 1.49 -2.47 0.00 0.00 174.74 173.99 3dn9 h GLU 83 N 3.20 0.49 -0.25 2.88 4.81 -2.04 -1.90 114.58 121.78 3dn9 h GLU 83 Ca -0.49 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3dn9 h GLU 83 Cb 1.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3dn9 h GLU 83 CO 0.65 0.33 0.17 -0.97 -0.73 0.00 0.00 179.01 178.46 3dn9 h ASN 84 N 0.51 0.13 0.63 1.04 -0.00 -2.03 -2.66 115.58 113.20 3dn9 h ASN 84 Ca 0.47 -0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.64 3dn9 h ASN 84 Cb 1.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 39.30 3dn9 h ASN 84 CO -0.20 0.08 -0.61 -0.07 -0.00 0.00 0.00 177.43 176.64 3dn9 h LEU 85 N 0.14 0.00 -0.80 0.34 4.07 -1.71 -3.24 115.31 114.11 3dn9 h LEU 85 Ca 0.11 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.25 3dn9 h LEU 85 Cb 0.26 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.88 3dn9 h LEU 85 CO -0.02 0.61 0.24 -0.33 -1.08 0.00 0.00 178.44 177.86 3dn9 h GLU 86 N 0.00 0.29 0.00 1.13 4.39 -1.61 -0.16 114.58 118.62 3dn9 h GLU 86 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3dn9 h GLU 86 Cb 1.09 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3dn9 h GLU 86 CO 0.08 0.19 -1.15 2.48 -1.16 0.00 0.00 179.01 179.45 3dn9 n TYR 87 N -5.14 0.00 -0.02 4.33 4.11 -1.23 -4.29 117.16 114.93 3dn9 n TYR 87 Ca 0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.86 3dn9 n TYR 87 Cb 0.53 -0.08 -0.14 0.00 -0.00 0.00 0.00 39.34 39.66 3dn9 n TYR 87 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 3dn9 n VAL 88 N -1.62 1.74 -4.02 -3.48 0.31 -1.10 -4.96 118.33 105.20 3dn9 n VAL 88 Ca 0.03 -0.57 -0.30 0.00 -0.01 0.00 0.00 64.34 63.49 3dn9 n VAL 88 Cb 0.36 -1.77 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 3dn9 n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dn9 s LEU 89 N -7.14 3.93 -1.47 7.52 1.43 -0.09 -5.01 118.68 117.85 3dn9 s LEU 89 Ca -0.24 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 3dn9 s LEU 89 Cb 0.07 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 3dn9 s LEU 89 CO 0.74 0.16 2.89 -0.81 0.23 0.00 0.00 176.35 179.55 3dn9 n PRO 90 N 0.30 3.78 -0.20 1.29 -0.04 -1.26 -4.40 135.00 134.48 3dn9 n PRO 90 Ca -0.08 -2.39 0.06 0.00 -0.04 0.00 0.00 63.50 61.05 3dn9 n PRO 90 Cb 0.52 -2.71 0.15 0.00 -0.04 0.00 0.00 33.50 31.42 3dn9 n PRO 90 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3dn9 n ILE 91 N 3.11 1.21 1.01 0.52 -5.35 -1.26 -4.92 119.36 113.68 3dn9 n ILE 91 Ca 0.73 -1.16 0.12 0.00 -0.27 0.00 0.00 62.75 62.18 3dn9 n ILE 91 Cb 0.27 0.37 0.11 0.00 -1.74 0.00 0.00 39.64 38.66 3dn9 n ILE 91 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68