#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 2.76 -0.09 -1.28 0.00 -0.17 -4.53 121.76 118.45 3dn9 s ALA 4 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3dn9 s ALA 4 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 3dn9 s ALA 4 CO 0.00 -0.81 -0.24 0.54 0.00 0.00 0.00 175.76 175.25 3dn9 s VAL 5 N -2.53 2.10 0.09 0.00 0.11 0.11 -1.89 120.40 118.39 3dn9 s VAL 5 Ca 0.63 -1.01 0.10 0.00 -2.93 0.00 0.00 61.98 58.76 3dn9 s VAL 5 Cb -0.15 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 32.87 3dn9 s VAL 5 CO 0.38 0.56 -0.26 -0.83 -3.33 0.00 0.00 175.10 171.62 3dn9 s GLY 6 N 0.25 1.47 -0.09 6.54 0.00 -0.28 -1.02 107.32 114.19 3dn9 s GLY 6 Ca -0.16 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.05 3dn9 s GLY 6 CO 0.08 -1.30 0.37 -3.16 0.00 0.00 0.00 173.10 169.09 3dn9 s MET 7 N -1.69 0.55 -0.10 2.90 0.23 -0.53 -0.81 119.30 119.86 3dn9 s MET 7 Ca 0.12 0.25 0.02 0.00 -1.03 0.00 0.00 55.69 55.06 3dn9 s MET 7 Cb -0.10 0.26 0.01 0.00 -1.53 0.00 0.00 34.83 33.47 3dn9 s MET 7 CO 0.04 -0.11 -0.14 0.42 -2.03 0.00 0.00 175.02 173.20 3dn9 s ILE 8 N -0.42 1.41 -0.16 3.16 1.01 -0.73 -1.69 121.20 123.78 3dn9 s ILE 8 Ca -0.05 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 3dn9 s ILE 8 Cb -0.03 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3dn9 s ILE 8 CO 0.02 0.42 0.05 -0.70 0.00 0.00 0.00 174.94 174.74 3dn9 s GLU 9 N 0.95 3.73 0.12 2.79 2.12 0.58 -1.95 118.70 127.05 3dn9 s GLU 9 Ca -0.08 -0.35 0.11 0.00 0.36 0.00 0.00 54.97 55.01 3dn9 s GLU 9 Cb -0.15 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3dn9 s GLU 9 CO -0.01 0.40 -0.26 0.99 -0.54 0.00 0.00 175.26 175.84 3dn9 s THR 10 N 0.01 2.32 -0.58 -1.70 2.01 0.70 -0.10 115.64 118.29 3dn9 s THR 10 Ca 0.05 -1.71 -0.24 0.00 0.31 0.00 0.00 61.69 60.11 3dn9 s THR 10 Cb -0.12 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.41 3dn9 s THR 10 CO 0.01 0.11 0.94 -0.22 -0.69 0.00 0.00 174.62 174.77 3dn9 s LEU 11 N -2.02 4.19 0.00 4.42 0.20 -0.40 -1.87 118.68 123.20 3dn9 s LEU 11 Ca 0.14 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.41 3dn9 s LEU 11 Cb -0.10 -2.69 0.00 0.00 -0.43 0.00 0.00 46.19 42.97 3dn9 s LEU 11 CO 0.06 -1.28 0.00 0.61 -0.29 0.00 0.00 176.35 175.45 3dn9 n GLY 12 N 5.18 3.13 0.09 7.98 0.00 -0.90 -3.86 105.19 116.82 3dn9 n GLY 12 Ca -0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 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 0.10 -1.00 1.61 3.57 -1.92 -3.27 116.94 116.03 3dn9 h PHE 13 Ca 0.00 -0.07 0.23 0.00 3.53 0.00 0.00 57.97 61.66 3dn9 h PHE 13 Cb 0.00 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 3dn9 h PHE 13 CO 0.00 1.28 0.63 -1.35 -2.23 0.00 0.00 178.31 176.64 3dn9 h PRO 14 N -0.86 0.51 -0.33 6.41 0.11 -2.00 -1.18 132.00 134.66 3dn9 h PRO 14 Ca -0.18 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.82 3dn9 h PRO 14 Cb 1.26 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3dn9 h PRO 14 CO -0.06 0.34 -0.14 0.00 -0.21 0.00 0.00 178.00 177.93 3dn9 h ALA 15 N 1.64 1.15 0.00 -0.75 0.00 -1.90 -2.69 119.26 116.71 3dn9 h ALA 15 Ca 0.57 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3dn9 h ALA 15 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3dn9 h ALA 15 CO -0.31 0.53 -0.40 -0.24 0.00 0.00 0.00 179.25 178.83 3dn9 h VAL 16 N 0.52 1.08 -0.01 0.00 3.04 -1.27 -1.26 116.25 118.36 3dn9 h VAL 16 Ca 0.09 -1.50 -0.25 0.00 -1.01 0.00 0.00 66.70 64.03 3dn9 h VAL 16 Cb 0.54 1.86 0.02 0.00 -2.01 0.00 0.00 31.29 31.69 3dn9 h VAL 16 CO 0.03 0.40 -1.00 0.58 -1.01 0.00 0.00 177.57 176.57 3dn9 h VAL 17 N 0.00 1.31 -0.16 1.51 2.07 -1.20 0.66 116.25 120.44 3dn9 h VAL 17 Ca -0.00 -2.28 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 3dn9 h VAL 17 Cb 0.82 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3dn9 h VAL 17 CO 0.05 0.70 0.02 -0.08 0.02 0.00 0.00 177.57 178.29 3dn9 h GLU 18 N 0.36 0.27 -0.13 1.57 4.57 -1.41 0.14 114.58 119.95 3dn9 h GLU 18 Ca -0.11 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 3dn9 h GLU 18 Cb 1.65 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 30.14 3dn9 h GLU 18 CO 0.19 0.45 -0.38 0.00 -1.18 0.00 0.00 179.01 178.09 3dn9 h ALA 19 N 0.81 -0.49 -0.43 2.92 0.00 -1.22 0.87 119.26 121.72 3dn9 h ALA 19 Ca 0.05 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3dn9 h ALA 19 Cb 0.31 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3dn9 h ALA 19 CO 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 179.25 178.35 3dn9 h ALA 20 N 0.25 0.36 0.15 0.00 0.00 -0.75 -0.40 119.26 118.87 3dn9 h ALA 20 Ca 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dn9 h ALA 20 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dn9 h ALA 20 CO -0.38 -0.41 -0.07 0.22 0.00 0.00 0.00 179.25 178.61 3dn9 h ASP 21 N 0.07 -0.17 -0.89 0.00 3.58 -0.31 -2.38 116.42 116.32 3dn9 h ASP 21 Ca 0.21 -0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.66 3dn9 h ASP 21 Cb 0.31 0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 3dn9 h ASP 21 CO -0.38 -0.05 0.58 0.28 -2.88 0.00 0.00 179.24 176.79 3dn9 h SER 22 N -0.29 0.87 -0.08 2.28 0.02 -0.62 -2.01 113.55 113.73 3dn9 h SER 22 Ca -0.02 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3dn9 h SER 22 Cb 0.23 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3dn9 h SER 22 CO 0.03 0.56 0.02 0.24 -1.14 0.00 0.00 176.83 176.54 3dn9 h MET 23 N 0.99 0.13 0.00 3.45 2.86 -0.70 -1.51 114.93 120.14 3dn9 h MET 23 Ca 0.38 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3dn9 h MET 23 Cb 0.22 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3dn9 h MET 23 CO -0.14 0.29 0.00 -0.24 1.06 0.00 0.00 176.91 177.88 3dn9 h VAL 24 N -0.07 0.00 0.04 -2.22 3.04 -1.20 -2.99 116.25 112.86 3dn9 h VAL 24 Ca 0.03 -0.69 -0.26 0.00 -1.01 0.00 0.00 66.70 64.76 3dn9 h VAL 24 Cb 0.22 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 31.15 3dn9 h VAL 24 CO -0.00 0.00 -1.36 0.11 -1.01 0.00 0.00 177.57 175.31 3dn9 h LYS 25 N 0.00 0.09 0.00 4.17 1.57 -1.27 -3.38 116.57 117.75 3dn9 h LYS 25 Ca 0.00 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3dn9 h LYS 25 Cb 0.81 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 3dn9 h LYS 25 CO 0.00 0.91 -0.01 0.00 -0.57 0.00 0.00 179.45 179.78 3dn9 h ALA 26 N 0.82 1.00 -2.82 3.86 0.00 -1.11 -3.47 119.26 117.53 3dn9 h ALA 26 Ca -0.16 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3dn9 h ALA 26 Cb 1.92 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 3dn9 h ALA 26 CO 0.13 0.02 0.33 0.00 0.00 0.00 0.00 179.25 179.72 3dn9 s ALA 27 N -3.42 -1.21 -1.23 0.00 0.00 -1.23 -4.77 121.76 109.90 3dn9 s ALA 27 Ca 0.04 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 3dn9 s ALA 27 Cb 0.07 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.96 3dn9 s ALA 27 CO 0.62 -1.03 1.77 1.03 0.00 0.00 0.00 175.76 178.15 3dn9 s ARG 28 N -3.17 3.50 0.04 0.00 0.52 -1.26 -4.77 118.95 113.81 3dn9 s ARG 28 Ca 0.14 -1.64 0.02 0.00 -0.52 0.00 0.00 55.73 53.73 3dn9 s ARG 28 Cb -0.04 -5.43 -0.02 0.00 0.52 0.00 0.00 34.95 29.97 3dn9 s ARG 28 CO 0.07 -2.76 -0.08 0.14 0.02 0.00 0.00 175.30 172.69 3dn9 s VAL 29 N 6.33 0.59 -0.18 3.52 -7.23 -1.26 -4.39 120.40 117.78 3dn9 s VAL 29 Ca 0.58 -1.00 -0.16 0.00 -1.81 0.00 0.00 61.98 59.58 3dn9 s VAL 29 Cb 0.02 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 3dn9 s VAL 29 CO 0.08 -0.30 0.41 -0.89 -0.31 0.00 0.00 175.10 174.08 3dn9 s THR 30 N -1.22 5.20 -0.41 5.32 2.01 -0.20 -4.86 115.64 121.48 3dn9 s THR 30 Ca -0.08 0.75 -0.27 0.00 0.31 0.00 0.00 61.69 62.41 3dn9 s THR 30 Cb -0.09 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.70 3dn9 s THR 30 CO 0.01 0.27 0.99 -0.22 -0.69 0.00 0.00 174.62 174.98 3dn9 s LEU 31 N 1.12 3.91 -0.49 4.42 2.96 -1.26 -1.53 118.68 127.81 3dn9 s LEU 31 Ca 0.20 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 3dn9 s LEU 31 Cb -0.15 -3.34 0.46 0.00 0.50 0.00 0.00 46.19 43.66 3dn9 s LEU 31 CO 0.08 -0.99 1.65 1.33 -1.32 0.00 0.00 176.35 177.10 3dn9 n VAL 32 N 6.25 3.12 -0.61 1.68 0.24 -0.31 -5.00 118.33 123.70 3dn9 n VAL 32 Ca 0.08 -3.52 0.00 0.00 -2.04 0.00 0.00 64.34 58.87 3dn9 n VAL 32 Cb 0.48 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 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 -0.83 -2.91 3.07 7.63 0.00 -1.26 -4.63 105.19 106.27 3dn9 n GLY 33 Ca 0.54 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.68 0.60 -0.09 1.61 -0.85 -1.26 -1.75 117.35 114.93 3dn9 s TYR 34 Ca 0.00 -0.72 0.04 0.00 -0.52 0.00 0.00 57.07 55.88 3dn9 s TYR 34 Cb 0.00 -0.38 -0.00 0.00 0.38 0.00 0.00 41.96 41.96 3dn9 s TYR 34 CO 0.00 -0.18 -0.24 -2.00 -1.52 0.00 0.00 175.55 171.61 3dn9 s GLU 35 N -2.54 2.96 -0.15 -3.49 2.56 0.28 -4.91 118.70 113.41 3dn9 s GLU 35 Ca -0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 54.97 54.00 3dn9 s GLU 35 Cb -0.03 -2.26 -0.04 0.00 2.00 0.00 0.00 34.13 33.80 3dn9 s GLU 35 CO -0.03 0.20 0.07 0.15 -0.56 0.00 0.00 175.26 175.09 3dn9 s LYS 36 N 0.28 3.70 -0.01 4.30 1.02 -1.26 0.05 119.74 127.83 3dn9 s LYS 36 Ca -0.17 -0.30 0.01 0.00 0.02 0.00 0.00 55.97 55.53 3dn9 s LYS 36 Cb -0.17 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 3dn9 s LYS 36 CO 0.08 0.46 0.79 0.44 -0.92 0.00 0.00 175.35 176.21 3dn9 n ILE 37 N 2.95 0.57 0.00 2.17 -5.35 -0.85 -5.03 119.36 113.82 3dn9 n ILE 37 Ca -0.18 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 3dn9 n ILE 37 Cb 0.53 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 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 -0.31 -0.62 2.49 3.28 0.00 -1.25 -4.91 105.19 103.87 3dn9 n GLY 38 Ca 0.01 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.46 -5.71 -0.79 1.61 7.64 -1.26 -2.20 113.62 111.45 3dn9 n SER 39 Ca 0.00 0.23 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 3dn9 n SER 39 Cb 0.00 -4.86 -0.03 0.00 -1.01 0.00 0.00 64.21 58.31 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 -0.74 0.75 3.57 0.23 0.00 -1.26 -4.97 105.19 102.76 3dn9 n GLY 40 Ca -0.23 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.28 3.90 0.01 1.61 0.52 -0.93 -2.12 118.95 118.66 3dn9 s ARG 41 Ca 0.00 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3dn9 s ARG 41 Cb 0.00 -3.54 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 3dn9 s ARG 41 CO 0.00 -0.13 -0.11 0.14 0.02 0.00 0.00 175.30 175.23 3dn9 s VAL 42 N 1.56 0.83 -0.07 3.52 -7.23 -0.78 -2.00 120.40 116.23 3dn9 s VAL 42 Ca 0.07 -0.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 3dn9 s VAL 42 Cb -0.15 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.07 3dn9 s VAL 42 CO 0.08 0.06 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.96 3dn9 s THR 43 N -0.57 0.91 -0.05 5.32 2.01 0.11 -0.22 115.64 123.15 3dn9 s THR 43 Ca 0.01 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 3dn9 s THR 43 Cb -0.06 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 3dn9 s THR 43 CO 0.00 0.31 0.25 -0.69 -0.69 0.00 0.00 174.62 173.81 3dn9 s VAL 44 N 0.96 5.32 -0.01 3.82 1.01 -0.82 0.10 120.40 130.77 3dn9 s VAL 44 Ca -0.10 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3dn9 s VAL 44 Cb -0.15 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3dn9 s VAL 44 CO 0.00 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 3dn9 s ILE 45 N -1.14 0.96 0.10 2.22 1.01 -0.71 -1.77 121.20 121.87 3dn9 s ILE 45 Ca 0.22 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 3dn9 s ILE 45 Cb -0.14 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3dn9 s ILE 45 CO 0.11 0.28 0.00 0.68 0.00 0.00 0.00 174.94 176.01 3dn9 s VAL 46 N -0.23 0.27 -0.01 2.92 -7.23 0.01 -1.16 120.40 114.97 3dn9 s VAL 46 Ca 0.04 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 3dn9 s VAL 46 Cb -0.05 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 3dn9 s VAL 46 CO -0.00 -0.72 -0.07 -0.13 -0.31 0.00 0.00 175.10 173.88 3dn9 s ARG 47 N -3.96 0.56 0.00 4.82 1.81 -0.58 -1.12 118.95 120.47 3dn9 s ARG 47 Ca 0.16 -0.23 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 3dn9 s ARG 47 Cb 0.07 -0.55 0.00 0.00 -0.45 0.00 0.00 34.95 34.03 3dn9 s ARG 47 CO -0.03 0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.13 3dn9 n GLY 48 N 2.99 -1.38 3.53 -3.53 0.00 -0.79 -1.04 105.19 104.97 3dn9 n GLY 48 Ca -0.14 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 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 1.55 -0.17 -0.37 1.61 9.92 -1.26 -1.00 116.55 126.82 3dn9 n ASP 49 Ca 0.00 0.79 0.03 0.00 -0.53 0.00 0.00 54.79 55.08 3dn9 n ASP 49 Cb 0.00 -1.27 0.18 0.00 -0.64 0.00 0.00 41.12 39.40 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 0.45 1.07 0.00 2.53 3.04 -1.91 -0.92 116.25 120.50 3dn9 h VAL 50 Ca -0.46 -0.40 -0.13 0.00 -1.01 0.00 0.00 66.70 64.70 3dn9 h VAL 50 Cb 1.38 -0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 3dn9 h VAL 50 CO 0.49 0.21 -0.63 0.77 -1.01 0.00 0.00 177.57 177.41 3dn9 h SER 51 N 1.16 0.00 -0.10 3.17 4.64 -2.00 -1.79 113.55 118.64 3dn9 h SER 51 Ca 0.44 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.65 3dn9 h SER 51 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3dn9 h SER 51 CO -0.18 0.63 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.69 3dn9 h GLU 52 N 0.00 0.42 -0.94 4.77 4.39 -1.80 -2.46 114.58 118.96 3dn9 h GLU 52 Ca -0.01 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.40 3dn9 h GLU 52 Cb 1.20 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 3dn9 h GLU 52 CO 0.08 0.96 0.61 0.28 -1.16 0.00 0.00 179.01 179.78 3dn9 h VAL 53 N -0.02 1.15 0.31 3.13 2.07 -1.13 0.89 116.25 122.66 3dn9 h VAL 53 Ca -0.02 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3dn9 h VAL 53 Cb 1.02 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3dn9 h VAL 53 CO 0.08 0.21 -0.20 1.56 0.02 0.00 0.00 177.57 179.24 3dn9 h GLN 54 N 1.18 -0.48 -0.77 1.57 1.08 -1.35 -0.23 115.11 116.11 3dn9 h GLN 54 Ca 0.38 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.76 3dn9 h GLN 54 Cb 0.02 0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 27.46 3dn9 h GLN 54 CO -0.13 -0.32 0.31 0.00 -0.95 0.00 0.00 178.83 177.74 3dn9 h ALA 55 N 0.16 1.09 -0.32 3.87 0.00 -0.94 -1.78 119.26 121.33 3dn9 h ALA 55 Ca -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dn9 h ALA 55 Cb 0.42 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3dn9 h ALA 55 CO 0.02 -0.21 0.06 0.77 0.00 0.00 0.00 179.25 179.89 3dn9 h SER 56 N 0.45 0.50 -0.35 0.00 0.02 -0.36 -2.68 113.55 111.13 3dn9 h SER 56 Ca 0.42 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 3dn9 h SER 56 Cb 0.65 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3dn9 h SER 56 CO -0.41 0.63 -0.42 0.58 -1.14 0.00 0.00 176.83 176.07 3dn9 h VAL 57 N 0.36 1.27 -0.13 2.27 2.07 -0.68 -0.91 116.25 120.51 3dn9 h VAL 57 Ca 0.10 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 66.04 3dn9 h VAL 57 Cb 0.34 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3dn9 h VAL 57 CO 0.01 0.53 0.02 0.74 0.02 0.00 0.00 177.57 178.88 3dn9 h THR 58 N 0.74 0.94 -0.78 2.57 2.02 -1.38 -0.44 112.91 116.57 3dn9 h THR 58 Ca 0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3dn9 h THR 58 Cb 1.01 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 3dn9 h THR 58 CO 0.10 0.01 0.34 0.00 0.37 0.00 0.00 175.52 176.34 3dn9 h ALA 59 N 1.10 1.12 -0.04 6.16 0.00 -1.43 -2.45 119.26 123.71 3dn9 h ALA 59 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dn9 h ALA 59 Cb 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3dn9 h ALA 59 CO -0.08 0.64 0.03 0.78 0.00 0.00 0.00 179.25 180.61 3dn9 h GLY 60 N 1.15 0.07 0.91 0.00 0.00 -0.79 -2.28 103.07 102.13 3dn9 h GLY 60 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3dn9 h GLY 60 CO -0.03 0.03 0.10 -2.22 0.00 0.00 0.00 176.54 174.42 3dn9 h ILE 61 N 0.00 1.15 -0.45 2.60 2.04 -1.07 -3.05 117.51 118.74 3dn9 h ILE 61 Ca 0.02 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.54 3dn9 h ILE 61 Cb 0.06 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 3dn9 h ILE 61 CO -0.00 0.14 -0.09 -0.33 0.00 0.00 0.00 178.15 177.87 3dn9 h GLU 62 N 0.20 0.02 0.00 2.37 5.08 -1.43 -3.04 114.58 117.78 3dn9 h GLU 62 Ca 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3dn9 h GLU 62 Cb 0.14 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dn9 h GLU 62 CO -0.01 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 3dn9 n ASN 63 N -5.31 0.00 0.03 1.42 3.02 -0.86 -2.22 115.26 111.34 3dn9 n ASN 63 Ca 0.03 0.26 0.11 0.00 -0.03 0.00 0.00 54.58 54.95 3dn9 n ASN 63 Cb 0.24 -0.41 0.46 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.41 0.58 0.12 2.41 -6.64 -1.15 -1.58 119.36 111.69 3dn9 n ILE 64 Ca 0.09 0.09 0.06 0.00 -1.77 0.00 0.00 62.75 61.22 3dn9 n ILE 64 Cb 0.27 -0.80 0.52 0.00 -1.44 0.00 0.00 39.64 38.20 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 0.28 -0.01 6.28 3.08 -1.61 -2.45 114.38 119.95 3dn9 h ARG 65 Ca 0.00 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3dn9 h ARG 65 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3dn9 h ARG 65 CO 0.00 0.20 -0.30 0.00 -1.07 0.00 0.00 179.97 178.80 3dn9 h ARG 66 N 0.29 0.01 -6.26 0.04 3.08 -1.49 -3.44 114.38 106.61 3dn9 h ARG 66 Ca 0.08 -0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.57 3dn9 h ARG 66 Cb -0.02 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3dn9 h ARG 66 CO -0.02 0.31 0.59 0.08 -1.07 0.00 0.00 179.97 179.86 3dn9 s VAL 67 N -4.37 4.72 -0.16 2.04 1.01 -0.92 -5.00 120.40 117.72 3dn9 s VAL 67 Ca -0.03 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 3dn9 s VAL 67 Cb 0.15 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3dn9 s VAL 67 CO 0.72 -0.00 1.64 0.20 0.00 0.00 0.00 175.10 177.66 3dn9 s ASN 68 N 1.14 6.46 0.00 3.32 0.01 -1.26 -2.68 114.94 121.93 3dn9 s ASN 68 Ca 0.49 1.83 0.00 0.00 -0.71 0.00 0.00 52.86 54.48 3dn9 s ASN 68 Cb -0.19 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3dn9 s ASN 68 CO 0.18 -1.16 0.00 0.61 -1.51 0.00 0.00 177.10 175.22 3dn9 n GLY 69 N 4.49 0.70 3.79 0.66 0.00 -1.26 -5.04 105.19 108.54 3dn9 n GLY 69 Ca 0.19 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 -1.92 2.73 -0.02 -0.02 0.00 -1.09 -4.98 107.32 102.01 3dn9 s GLY 70 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 3dn9 s GLY 70 CO 0.00 0.82 0.05 -0.54 0.00 0.00 0.00 173.10 173.42 3dn9 s GLU 71 N -2.05 0.01 -0.07 2.90 2.02 -1.25 -4.92 118.70 115.33 3dn9 s GLU 71 Ca 0.48 0.16 -0.25 0.00 0.02 0.00 0.00 54.97 55.38 3dn9 s GLU 71 Cb -0.18 -0.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.89 3dn9 s GLU 71 CO 0.23 -0.11 0.79 0.08 0.02 0.00 0.00 175.26 176.27 3dn9 s VAL 72 N 0.68 4.98 -0.21 2.63 1.01 -1.26 -1.27 120.40 126.95 3dn9 s VAL 72 Ca -0.06 1.61 -0.09 0.00 0.00 0.00 0.00 61.98 63.45 3dn9 s VAL 72 Cb -0.08 -4.12 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 3dn9 s VAL 72 CO -0.02 0.19 0.01 0.18 0.00 0.00 0.00 175.10 175.46 3dn9 n LEU 73 N 4.11 2.42 -3.99 3.92 4.77 0.85 -4.88 117.00 124.20 3dn9 n LEU 73 Ca 0.01 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 3dn9 n LEU 73 Cb 0.51 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 3dn9 n LEU 73 CO 0.48 0.70 0.19 -0.94 -1.33 0.00 0.00 177.39 176.49 3dn9 s SER 74 N -6.96 -0.10 0.01 -1.43 1.04 -1.13 -5.02 113.70 100.11 3dn9 s SER 74 Ca -0.31 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 54.93 3dn9 s SER 74 Cb 0.09 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.87 3dn9 s SER 74 CO 0.62 -1.15 0.67 0.54 0.98 0.00 0.00 173.24 174.91 3dn9 s ASN 75 N -3.01 -0.62 -0.02 7.02 2.20 -1.26 -0.30 114.94 118.95 3dn9 s ASN 75 Ca 0.22 0.48 -0.29 0.00 -0.94 0.00 0.00 52.86 52.33 3dn9 s ASN 75 Cb -0.01 0.55 0.09 0.00 -2.00 0.00 0.00 41.25 39.87 3dn9 s ASN 75 CO 0.09 -0.71 0.76 -2.28 -2.94 0.00 0.00 177.10 172.02 3dn9 s HIS 76 N -1.99 -0.52 -0.02 1.54 2.46 -0.68 -5.03 115.29 111.05 3dn9 s HIS 76 Ca -0.07 0.71 0.03 0.00 0.47 0.00 0.00 55.06 56.20 3dn9 s HIS 76 Cb -0.00 0.47 -0.00 0.00 -0.13 0.00 0.00 32.58 32.91 3dn9 s HIS 76 CO 0.02 -0.59 -0.11 0.42 -2.47 0.00 0.00 174.74 172.01 3dn9 s ILE 77 N -2.02 0.89 -0.15 0.89 1.01 -1.26 -1.45 121.20 119.11 3dn9 s ILE 77 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3dn9 s ILE 77 Cb -0.00 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.73 3dn9 s ILE 77 CO 0.00 0.26 -0.18 -0.63 0.00 0.00 0.00 174.94 174.40 3dn9 s ILE 78 N -0.10 1.80 0.06 2.92 1.01 -0.19 -5.01 121.20 121.69 3dn9 s ILE 78 Ca 0.02 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 3dn9 s ILE 78 Cb -0.06 -1.64 -0.28 0.00 0.01 0.00 0.00 42.46 40.49 3dn9 s ILE 78 CO -0.00 0.50 1.12 0.00 0.00 0.00 0.00 174.94 176.55 3dn9 h ALA 79 N 7.78 0.02 -2.10 9.38 0.00 -1.93 0.36 119.26 132.75 3dn9 h ALA 79 Ca -0.38 -0.76 -0.58 0.00 0.00 0.00 0.00 54.91 53.18 3dn9 h ALA 79 Cb 1.15 0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.64 3dn9 h ALA 79 CO 0.56 0.70 -0.84 0.54 0.00 0.00 0.00 179.25 180.20 3dn9 n ARG 80 N -3.79 1.63 -2.11 0.00 1.74 -1.26 -3.33 116.66 109.54 3dn9 n ARG 80 Ca -0.13 -3.96 -0.41 0.00 -0.77 0.00 0.00 57.85 52.58 3dn9 n ARG 80 Cb 0.97 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.64 3dn9 n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dn9 s PRO 81 N -1.83 4.34 0.35 5.56 0.04 -1.26 -4.94 135.00 137.26 3dn9 s PRO 81 Ca 0.37 2.20 -0.28 0.00 0.04 0.00 0.00 61.00 63.33 3dn9 s PRO 81 Cb 0.16 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 3dn9 s PRO 81 CO -0.06 -0.26 1.32 -1.58 0.04 0.00 0.00 177.00 176.46 3dn9 s HIS 82 N -0.58 2.97 0.34 0.56 2.46 -1.26 -4.91 115.29 114.86 3dn9 s HIS 82 Ca 0.53 1.40 0.08 0.00 0.47 0.00 0.00 55.06 57.54 3dn9 s HIS 82 Cb -0.40 -3.70 0.78 0.00 -0.13 0.00 0.00 32.58 29.14 3dn9 s HIS 82 CO 0.47 -1.98 1.83 1.49 -2.47 0.00 0.00 174.74 174.08 3dn9 h GLU 83 N 3.20 0.71 -0.49 2.88 4.81 -2.04 -1.69 114.58 121.96 3dn9 h GLU 83 Ca -0.49 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 58.79 3dn9 h GLU 83 Cb 1.23 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3dn9 h GLU 83 CO 0.65 0.47 0.33 -0.97 -0.73 0.00 0.00 179.01 178.76 3dn9 h ASN 84 N 0.73 0.21 0.81 1.04 -0.00 -2.03 -2.26 115.58 114.08 3dn9 h ASN 84 Ca 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.71 3dn9 h ASN 84 Cb 0.80 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 39.06 3dn9 h ASN 84 CO -0.26 0.12 -0.44 -0.07 -0.00 0.00 0.00 177.43 176.79 3dn9 h LEU 85 N 0.23 0.00 -0.90 0.34 4.07 -1.68 -3.25 115.31 114.12 3dn9 h LEU 85 Ca 0.23 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.37 3dn9 h LEU 85 Cb 0.59 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.22 3dn9 h LEU 85 CO -0.04 0.44 0.46 -0.33 -1.08 0.00 0.00 178.44 177.89 3dn9 h GLU 86 N 0.00 0.56 0.00 1.13 4.39 -1.53 -1.07 114.58 118.06 3dn9 h GLU 86 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3dn9 h GLU 86 Cb 0.96 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3dn9 h GLU 86 CO 0.06 0.37 -0.92 2.48 -1.16 0.00 0.00 179.01 179.84 3dn9 n TYR 87 N -4.91 0.00 -0.03 4.33 4.11 -1.23 -4.37 117.16 115.07 3dn9 n TYR 87 Ca 0.20 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.92 3dn9 n TYR 87 Cb 0.54 -0.05 -0.14 0.00 -0.00 0.00 0.00 39.34 39.70 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 -1.48 1.68 -4.08 -3.48 0.31 -1.16 -4.96 118.33 105.16 3dn9 n VAL 88 Ca 0.02 -0.67 -0.29 0.00 -0.01 0.00 0.00 64.34 63.39 3dn9 n VAL 88 Cb 0.29 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.65 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 -6.72 3.73 -1.05 7.52 1.43 -0.41 -5.03 118.68 118.15 3dn9 s LEU 89 Ca -0.21 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3dn9 s LEU 89 Cb 0.07 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 3dn9 s LEU 89 CO 0.75 0.15 2.91 -0.81 0.23 0.00 0.00 176.35 179.57 3dn9 n PRO 90 N 0.27 3.44 -0.23 1.29 -0.04 -1.26 -4.40 135.00 134.07 3dn9 n PRO 90 Ca -0.09 -2.34 0.07 0.00 -0.04 0.00 0.00 63.50 61.10 3dn9 n PRO 90 Cb 0.52 -2.50 0.19 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.46 1.12 1.06 0.52 -5.35 -1.26 -4.92 119.36 112.98 3dn9 n ILE 91 Ca 0.63 -1.07 0.12 0.00 -0.27 0.00 0.00 62.75 62.16 3dn9 n ILE 91 Cb 0.42 0.43 0.15 0.00 -1.74 0.00 0.00 39.64 38.90 3dn9 n ILE 91 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68