#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 3.29 -0.03 -1.28 0.00 0.24 -4.16 121.76 119.82 3dn9 s ALA 4 Ca 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.61 3dn9 s ALA 4 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3dn9 s ALA 4 CO 0.00 -0.16 -0.23 0.54 0.00 0.00 0.00 175.76 175.91 3dn9 s VAL 5 N -2.97 1.84 -0.06 0.00 0.11 -0.36 -2.38 120.40 116.59 3dn9 s VAL 5 Ca 0.23 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 3dn9 s VAL 5 Cb 0.06 -1.53 0.02 0.00 -1.53 0.00 0.00 36.38 33.39 3dn9 s VAL 5 CO 0.12 0.52 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.50 3dn9 s GLY 6 N -0.43 0.59 0.02 6.54 0.00 0.42 -1.37 107.32 113.09 3dn9 s GLY 6 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.59 3dn9 s GLY 6 CO 0.00 0.36 -0.06 -3.16 0.00 0.00 0.00 173.10 170.24 3dn9 s MET 7 N 0.88 0.43 -0.08 2.90 0.23 -0.60 0.10 119.30 123.17 3dn9 s MET 7 Ca -0.11 -0.49 0.00 0.00 -1.03 0.00 0.00 55.69 54.06 3dn9 s MET 7 Cb -0.15 -0.27 0.02 0.00 -1.53 0.00 0.00 34.83 32.90 3dn9 s MET 7 CO 0.01 0.06 -0.06 0.42 -2.03 0.00 0.00 175.02 173.42 3dn9 s ILE 8 N -0.86 0.78 -0.11 3.16 1.01 -0.87 -1.89 121.20 122.42 3dn9 s ILE 8 Ca -0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3dn9 s ILE 8 Cb -0.07 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3dn9 s ILE 8 CO 0.00 0.30 0.04 -0.70 0.00 0.00 0.00 174.94 174.58 3dn9 s GLU 9 N 1.33 3.27 0.12 2.79 2.12 0.13 -1.83 118.70 126.63 3dn9 s GLU 9 Ca -0.03 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.00 3dn9 s GLU 9 Cb -0.14 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 3dn9 s GLU 9 CO -0.03 0.63 -0.12 0.95 -0.54 0.00 0.00 175.26 176.15 3dn9 s THR 10 N -0.65 1.13 -0.25 -1.70 -4.23 0.06 -0.47 115.64 109.53 3dn9 s THR 10 Ca 0.11 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.63 3dn9 s THR 10 Cb -0.12 -1.51 -0.00 0.00 1.34 0.00 0.00 72.50 72.21 3dn9 s THR 10 CO 0.02 -0.54 0.84 -0.22 -0.54 0.00 0.00 174.62 174.18 3dn9 s LEU 11 N -2.58 4.08 0.00 4.79 0.20 -0.52 -1.84 118.68 122.80 3dn9 s LEU 11 Ca 0.09 1.01 0.00 0.00 0.69 0.00 0.00 54.13 55.92 3dn9 s LEU 11 Cb -0.03 -3.20 0.00 0.00 -0.43 0.00 0.00 46.19 42.54 3dn9 s LEU 11 CO 0.01 -0.54 0.00 0.61 -0.29 0.00 0.00 176.35 176.14 3dn9 n GLY 12 N 3.79 1.05 0.17 7.98 0.00 -1.01 -3.93 105.19 113.24 3dn9 n GLY 12 Ca 0.06 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 0.59 -0.76 1.61 3.57 -1.91 -3.16 116.94 116.88 3dn9 h PHE 13 Ca 0.00 -0.17 0.09 0.00 3.53 0.00 0.00 57.97 61.42 3dn9 h PHE 13 Cb 0.00 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3dn9 h PHE 13 CO 0.00 0.82 0.50 -1.35 -2.23 0.00 0.00 178.31 176.06 3dn9 h PRO 14 N 0.18 0.70 -0.13 6.41 0.11 -1.98 -0.31 132.00 136.98 3dn9 h PRO 14 Ca 0.04 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3dn9 h PRO 14 Cb 0.71 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3dn9 h PRO 14 CO 0.05 0.46 -0.37 0.00 -0.21 0.00 0.00 178.00 177.93 3dn9 h ALA 15 N 1.61 1.14 0.00 -0.75 0.00 -1.86 -2.74 119.26 116.66 3dn9 h ALA 15 Ca 0.35 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dn9 h ALA 15 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dn9 h ALA 15 CO -0.13 0.56 -0.18 -0.24 0.00 0.00 0.00 179.25 179.27 3dn9 h VAL 16 N 0.24 0.48 0.11 0.00 3.04 -1.03 -0.22 116.25 118.88 3dn9 h VAL 16 Ca 0.03 -0.95 -0.28 0.00 -1.01 0.00 0.00 66.70 64.49 3dn9 h VAL 16 Cb 0.76 1.67 0.01 0.00 -2.01 0.00 0.00 31.29 31.72 3dn9 h VAL 16 CO 0.06 0.18 -1.20 0.58 -1.01 0.00 0.00 177.57 176.17 3dn9 h VAL 17 N 0.00 1.41 0.15 1.51 2.07 -1.18 -1.64 116.25 118.56 3dn9 h VAL 17 Ca -0.00 -2.75 -0.01 0.00 0.82 0.00 0.00 66.70 64.76 3dn9 h VAL 17 Cb 0.65 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3dn9 h VAL 17 CO 0.02 0.82 -0.07 -0.08 0.02 0.00 0.00 177.57 178.28 3dn9 h GLU 18 N 0.16 -0.19 -0.99 1.57 4.57 -1.28 -0.01 114.58 118.41 3dn9 h GLU 18 Ca -0.15 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.16 3dn9 h GLU 18 Cb 1.89 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 30.39 3dn9 h GLU 18 CO 0.21 0.08 -0.51 0.00 -1.18 0.00 0.00 179.01 177.61 3dn9 n ALA 19 N -2.31 -0.43 0.13 2.92 0.00 -0.11 -0.51 120.51 120.19 3dn9 n ALA 19 Ca -0.09 0.90 -0.13 0.00 0.00 0.00 0.00 53.44 54.12 3dn9 n ALA 19 Cb 0.19 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 3dn9 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dn9 h ALA 20 N 0.84 -0.30 -0.19 0.00 0.00 -1.19 -1.47 119.26 116.94 3dn9 h ALA 20 Ca 0.23 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3dn9 h ALA 20 Cb 0.48 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3dn9 h ALA 20 CO -0.95 -0.69 0.05 0.22 0.00 0.00 0.00 179.25 177.88 3dn9 h ASP 21 N -0.33 0.04 -0.56 0.00 3.58 -0.11 -1.99 116.42 117.05 3dn9 h ASP 21 Ca -0.00 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 3dn9 h ASP 21 Cb 0.30 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 3dn9 h ASP 21 CO -0.02 0.05 0.08 0.77 -2.88 0.00 0.00 179.24 177.24 3dn9 h SER 22 N 0.13 0.93 0.25 2.28 4.64 -0.77 -2.08 113.55 118.93 3dn9 h SER 22 Ca 0.08 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3dn9 h SER 22 Cb 0.06 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3dn9 h SER 22 CO -0.10 0.93 -0.12 0.24 -0.87 0.00 0.00 176.83 176.92 3dn9 h MET 23 N 0.91 -0.32 0.00 4.77 2.86 -0.83 -1.58 114.93 120.74 3dn9 h MET 23 Ca 0.18 0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 3dn9 h MET 23 Cb 0.41 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3dn9 h MET 23 CO 0.01 -0.20 -0.43 -0.24 1.06 0.00 0.00 176.91 177.12 3dn9 h VAL 24 N -0.36 1.04 0.00 -2.22 3.04 -1.23 -2.47 116.25 114.06 3dn9 h VAL 24 Ca -0.03 -1.62 -0.19 0.00 -1.01 0.00 0.00 66.70 63.85 3dn9 h VAL 24 Cb 0.27 1.94 -0.03 0.00 -2.01 0.00 0.00 31.29 31.47 3dn9 h VAL 24 CO 0.06 0.42 -0.95 0.11 -1.01 0.00 0.00 177.57 176.20 3dn9 h LYS 25 N 0.00 0.00 -0.13 4.17 1.57 -1.36 -3.37 116.57 117.45 3dn9 h LYS 25 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3dn9 h LYS 25 Cb 0.91 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.23 3dn9 h LYS 25 CO 0.06 0.82 -0.77 0.00 -0.57 0.00 0.00 179.45 178.99 3dn9 h ALA 26 N 1.13 0.39 -3.14 3.86 0.00 -0.79 -3.48 119.26 117.22 3dn9 h ALA 26 Ca -0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 3dn9 h ALA 26 Cb 1.69 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3dn9 h ALA 26 CO 0.11 0.71 -0.06 0.00 0.00 0.00 0.00 179.25 180.00 3dn9 n ALA 27 N -2.58 -0.08 -2.90 0.00 0.00 -1.19 -4.85 120.51 108.91 3dn9 n ALA 27 Ca -0.07 -0.57 -0.44 0.00 0.00 0.00 0.00 53.44 52.36 3dn9 n ALA 27 Cb 0.74 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.65 3dn9 n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dn9 n ARG 28 N -0.20 3.39 -4.10 0.00 5.12 -1.26 -4.79 116.66 114.81 3dn9 n ARG 28 Ca 0.00 -3.83 -0.11 0.00 -1.93 0.00 0.00 57.85 51.98 3dn9 n ARG 28 Cb 0.20 -3.03 -0.11 0.00 -1.16 0.00 0.00 32.46 28.36 3dn9 n ARG 28 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3dn9 s VAL 29 N 1.47 0.55 -0.17 1.55 -7.23 -1.26 -4.27 120.40 111.03 3dn9 s VAL 29 Ca 0.43 -1.45 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 3dn9 s VAL 29 Cb -0.02 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 3dn9 s VAL 29 CO 0.00 -0.62 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.25 3dn9 s THR 30 N -2.43 3.86 -0.28 5.32 2.01 0.78 -4.82 115.64 120.09 3dn9 s THR 30 Ca -0.01 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 3dn9 s THR 30 Cb -0.03 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 3dn9 s THR 30 CO -0.02 0.47 1.67 -0.22 -0.69 0.00 0.00 174.62 175.82 3dn9 s LEU 31 N 0.64 3.72 -0.01 4.42 2.96 -1.26 -1.24 118.68 127.92 3dn9 s LEU 31 Ca -0.02 1.44 0.07 0.00 -0.22 0.00 0.00 54.13 55.40 3dn9 s LEU 31 Cb -0.14 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 3dn9 s LEU 31 CO 0.02 -1.44 0.22 1.33 -1.32 0.00 0.00 176.35 175.16 3dn9 n VAL 32 N 6.86 0.00 -3.72 1.68 0.24 -0.26 -5.01 118.33 118.12 3dn9 n VAL 32 Ca 0.20 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 3dn9 n VAL 32 Cb 0.46 0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 33.37 3dn9 n VAL 32 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dn9 s GLY 33 N -2.30 -0.33 -0.12 7.63 0.00 -0.84 -4.84 107.32 106.52 3dn9 s GLY 33 Ca -0.00 1.26 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 3dn9 s GLY 33 CO 0.30 1.11 -0.04 -0.47 0.00 0.00 0.00 173.10 174.00 3dn9 s TYR 34 N 0.30 1.25 -0.09 1.90 5.04 -1.26 0.04 117.35 124.54 3dn9 s TYR 34 Ca -0.01 -0.66 0.01 0.00 -2.44 0.00 0.00 57.07 53.98 3dn9 s TYR 34 Cb -0.03 -1.11 0.02 0.00 0.35 0.00 0.00 41.96 41.19 3dn9 s TYR 34 CO -0.00 -0.49 -0.11 -2.00 -1.34 0.00 0.00 175.55 171.61 3dn9 s GLU 35 N 1.78 1.69 -0.15 4.97 2.56 0.38 -4.94 118.70 124.99 3dn9 s GLU 35 Ca 0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 54.97 54.60 3dn9 s GLU 35 Cb -0.13 -1.53 -0.03 0.00 2.00 0.00 0.00 34.13 34.44 3dn9 s GLU 35 CO -0.07 -0.09 -0.03 0.15 -0.56 0.00 0.00 175.26 174.66 3dn9 s LYS 36 N 1.09 3.62 -0.04 4.30 1.02 -1.26 -0.42 119.74 128.04 3dn9 s LYS 36 Ca -0.06 -0.50 0.06 0.00 0.02 0.00 0.00 55.97 55.49 3dn9 s LYS 36 Cb -0.14 -2.92 0.09 0.00 -0.52 0.00 0.00 37.83 34.33 3dn9 s LYS 36 CO -0.01 0.30 1.02 0.44 -0.92 0.00 0.00 175.35 176.17 3dn9 n ILE 37 N 3.37 1.19 -1.34 2.17 -5.35 -1.06 -5.05 119.36 113.28 3dn9 n ILE 37 Ca -0.17 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.00 3dn9 n ILE 37 Cb 0.53 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 -0.74 -2.32 2.41 3.28 0.00 -1.26 -4.91 105.19 101.65 3dn9 n GLY 38 Ca 0.05 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.33 3dn9 n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dn9 n SER 39 N -0.24 -5.33 -1.47 1.61 2.88 -1.26 -0.82 113.62 108.99 3dn9 n SER 39 Ca 0.00 0.07 -0.19 0.00 -1.33 0.00 0.00 58.87 57.42 3dn9 n SER 39 Cb 0.00 -4.48 -0.08 0.00 -0.75 0.00 0.00 64.21 58.90 3dn9 n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dn9 n GLY 40 N -0.92 1.84 3.53 0.46 0.00 -1.26 -4.98 105.19 103.86 3dn9 n GLY 40 Ca -0.22 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.63 3.59 -0.03 1.61 0.52 0.00 -2.39 118.95 118.63 3dn9 s ARG 41 Ca 0.00 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.69 3dn9 s ARG 41 Cb 0.00 -3.74 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 3dn9 s ARG 41 CO 0.00 -0.37 -0.17 0.14 0.02 0.00 0.00 175.30 174.92 3dn9 s VAL 42 N 1.72 1.39 -0.02 3.52 -7.23 -0.77 -2.55 120.40 116.45 3dn9 s VAL 42 Ca 0.06 -0.72 0.08 0.00 -1.81 0.00 0.00 61.98 59.58 3dn9 s VAL 42 Cb -0.17 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 3dn9 s VAL 42 CO 0.10 0.40 -0.25 -0.89 -0.31 0.00 0.00 175.10 174.15 3dn9 s THR 43 N -0.19 1.95 -0.09 5.32 2.01 0.44 -0.76 115.64 124.33 3dn9 s THR 43 Ca 0.02 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.99 3dn9 s THR 43 Cb -0.09 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 3dn9 s THR 43 CO 0.01 0.55 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.61 3dn9 s VAL 44 N -0.56 2.61 -0.07 3.82 1.01 -0.76 -0.47 120.40 125.98 3dn9 s VAL 44 Ca 0.09 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3dn9 s VAL 44 Cb -0.10 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3dn9 s VAL 44 CO -0.01 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 3dn9 s ILE 45 N 0.05 1.31 0.14 2.22 1.01 0.11 -2.05 121.20 123.99 3dn9 s ILE 45 Ca -0.07 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.05 3dn9 s ILE 45 Cb -0.15 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3dn9 s ILE 45 CO 0.05 0.39 -0.15 0.68 0.00 0.00 0.00 174.94 175.92 3dn9 s VAL 46 N 0.52 1.46 0.08 2.92 -7.23 0.11 -1.10 120.40 117.15 3dn9 s VAL 46 Ca -0.14 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 3dn9 s VAL 46 Cb -0.15 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3dn9 s VAL 46 CO 0.04 -0.43 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.07 3dn9 s ARG 47 N -2.86 1.16 0.00 4.82 1.81 -0.37 -0.44 118.95 123.07 3dn9 s ARG 47 Ca 0.12 -1.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.09 3dn9 s ARG 47 Cb -0.04 -1.33 0.00 0.00 -0.45 0.00 0.00 34.95 33.12 3dn9 s ARG 47 CO 0.04 0.32 0.00 0.41 -0.68 0.00 0.00 175.30 175.39 3dn9 n GLY 48 N 1.41 -0.04 3.60 -3.53 0.00 -1.00 -0.16 105.19 105.47 3dn9 n GLY 48 Ca -0.19 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 1.08 -0.20 1.61 8.00 -1.26 0.80 116.55 126.58 3dn9 n ASP 49 Ca 0.00 1.00 0.16 0.00 0.71 0.00 0.00 54.79 56.66 3dn9 n ASP 49 Cb 0.00 -1.34 0.49 0.00 -0.02 0.00 0.00 41.12 40.24 3dn9 n ASP 49 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3dn9 h VAL 50 N 1.40 0.77 0.02 2.53 3.04 -1.88 0.33 116.25 122.46 3dn9 h VAL 50 Ca -0.45 -0.16 -0.21 0.00 -1.01 0.00 0.00 66.70 64.88 3dn9 h VAL 50 Cb 1.34 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 3dn9 h VAL 50 CO 0.56 0.08 -0.98 0.77 -1.01 0.00 0.00 177.57 177.00 3dn9 h SER 51 N 0.46 0.12 -0.19 3.17 4.64 -1.99 -0.07 113.55 119.69 3dn9 h SER 51 Ca 0.41 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.51 3dn9 h SER 51 Cb 0.91 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3dn9 h SER 51 CO -0.15 1.02 -0.30 -0.33 -0.87 0.00 0.00 176.83 176.21 3dn9 h GLU 52 N 0.03 0.53 -0.33 4.77 4.39 -1.53 -1.95 114.58 120.49 3dn9 h GLU 52 Ca -0.04 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.37 3dn9 h GLU 52 Cb 1.68 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.34 3dn9 h GLU 52 CO 0.14 0.92 0.17 0.28 -1.16 0.00 0.00 179.01 179.36 3dn9 h VAL 53 N 0.19 0.99 -0.53 3.13 2.07 -0.42 -0.99 116.25 120.68 3dn9 h VAL 53 Ca 0.02 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3dn9 h VAL 53 Cb 0.88 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3dn9 h VAL 53 CO 0.07 0.06 0.17 1.56 0.02 0.00 0.00 177.57 179.46 3dn9 h GLN 54 N 0.34 0.33 -0.62 1.57 4.20 -0.99 -1.18 115.11 118.76 3dn9 h GLN 54 Ca 0.14 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3dn9 h GLN 54 Cb 0.05 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3dn9 h GLN 54 CO -0.09 0.22 0.12 0.00 -0.67 0.00 0.00 178.83 178.41 3dn9 h ALA 55 N 1.37 0.82 0.07 3.87 0.00 -1.09 -2.64 119.26 121.66 3dn9 h ALA 55 Ca 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dn9 h ALA 55 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dn9 h ALA 55 CO -0.28 0.56 -0.03 0.77 0.00 0.00 0.00 179.25 180.27 3dn9 h SER 56 N 0.93 -0.08 -0.54 0.00 0.02 -0.85 -2.55 113.55 110.48 3dn9 h SER 56 Ca 0.19 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3dn9 h SER 56 Cb 0.40 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 3dn9 h SER 56 CO 0.01 0.25 0.29 0.58 -1.14 0.00 0.00 176.83 176.82 3dn9 h VAL 57 N -0.42 0.99 -0.47 2.27 2.07 -1.23 -0.12 116.25 119.34 3dn9 h VAL 57 Ca -0.01 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.39 3dn9 h VAL 57 Cb 0.36 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3dn9 h VAL 57 CO 0.02 0.10 0.10 0.74 0.02 0.00 0.00 177.57 178.55 3dn9 h THR 58 N 0.57 0.75 -0.61 2.57 2.02 -1.51 -1.43 112.91 115.26 3dn9 h THR 58 Ca 0.23 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 3dn9 h THR 58 Cb 0.11 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3dn9 h THR 58 CO -0.14 0.04 0.22 0.00 0.37 0.00 0.00 175.52 176.01 3dn9 h ALA 59 N 1.36 1.23 -0.59 6.16 0.00 -0.97 -2.72 119.26 123.73 3dn9 h ALA 59 Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3dn9 h ALA 59 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dn9 h ALA 59 CO -0.30 0.55 0.10 0.78 0.00 0.00 0.00 179.25 180.38 3dn9 h GLY 60 N 1.00 1.04 1.60 0.00 0.00 -0.04 -1.97 103.07 104.70 3dn9 h GLY 60 Ca 0.21 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 3dn9 h GLY 60 CO -0.01 0.64 -0.54 -2.22 0.00 0.00 0.00 176.54 174.41 3dn9 h ILE 61 N 0.87 1.34 -0.08 2.60 1.08 -1.23 -2.79 117.51 119.30 3dn9 h ILE 61 Ca 0.18 -1.81 -0.02 0.00 -0.39 0.00 0.00 64.86 62.82 3dn9 h ILE 61 Cb 0.41 1.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 3dn9 h ILE 61 CO 0.01 0.55 -0.04 -0.33 -0.69 0.00 0.00 178.15 177.65 3dn9 h GLU 62 N 0.33 0.17 0.00 2.37 5.08 -1.40 -3.30 114.58 117.82 3dn9 h GLU 62 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3dn9 h GLU 62 Cb 1.05 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3dn9 h GLU 62 CO 0.09 0.54 0.00 -0.91 -1.00 0.00 0.00 179.01 177.73 3dn9 h ASN 63 N -0.21 0.00 0.64 1.42 4.21 -1.33 -2.54 115.58 117.76 3dn9 h ASN 63 Ca 0.02 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 3dn9 h ASN 63 Cb 0.49 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 3dn9 h ASN 63 CO 0.01 0.00 -0.12 0.40 -1.29 0.00 0.00 177.43 176.43 3dn9 h ILE 64 N 0.00 0.41 -0.01 2.81 2.04 -1.57 -1.22 117.51 119.96 3dn9 h ILE 64 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3dn9 h ILE 64 Cb 0.62 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3dn9 h ILE 64 CO 0.00 0.12 0.06 0.03 0.00 0.00 0.00 178.15 178.36 3dn9 h ARG 65 N 0.00 0.00 -0.01 2.37 3.08 -1.61 -2.05 114.38 116.17 3dn9 h ARG 65 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dn9 h ARG 65 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3dn9 h ARG 65 CO 0.02 0.00 -0.17 0.54 -1.07 0.00 0.00 179.97 179.29 3dn9 n ARG 66 N -3.22 1.03 -3.21 0.04 1.74 -0.46 -4.82 116.66 107.76 3dn9 n ARG 66 Ca -0.03 -0.57 -0.39 0.00 -0.77 0.00 0.00 57.85 56.10 3dn9 n ARG 66 Cb 0.13 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 3dn9 n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dn9 s VAL 67 N -2.36 5.11 -0.33 1.55 1.01 -0.77 -5.01 120.40 119.60 3dn9 s VAL 67 Ca 0.29 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 3dn9 s VAL 67 Cb 0.20 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3dn9 s VAL 67 CO 0.46 0.24 1.69 0.20 0.00 0.00 0.00 175.10 177.70 3dn9 s ASN 68 N 0.86 6.05 0.00 3.32 0.01 -1.26 -1.71 114.94 122.21 3dn9 s ASN 68 Ca 0.28 1.25 0.00 0.00 -0.71 0.00 0.00 52.86 53.68 3dn9 s ASN 68 Cb -0.16 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3dn9 s ASN 68 CO 0.12 -1.59 0.00 0.61 -1.51 0.00 0.00 177.10 174.73 3dn9 n GLY 69 N 5.26 0.79 3.76 0.66 0.00 -1.26 -5.03 105.19 109.37 3dn9 n GLY 69 Ca 0.21 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.11 3.08 -0.10 -0.02 0.00 -0.69 -4.94 107.32 102.54 3dn9 s GLY 70 Ca 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 3dn9 s GLY 70 CO 0.00 1.34 0.22 1.85 0.00 0.00 0.00 173.10 176.51 3dn9 s GLU 71 N -1.37 0.16 -0.04 2.90 2.12 -1.25 -4.91 118.70 116.31 3dn9 s GLU 71 Ca 0.43 0.51 -0.24 0.00 0.36 0.00 0.00 54.97 56.04 3dn9 s GLU 71 Cb -0.29 -0.14 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 3dn9 s GLU 71 CO 0.36 -0.18 0.72 0.08 -0.54 0.00 0.00 175.26 175.70 3dn9 s VAL 72 N 1.40 4.97 -0.24 3.70 1.01 -1.26 -1.43 120.40 128.54 3dn9 s VAL 72 Ca -0.08 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 3dn9 s VAL 72 Cb -0.11 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 3dn9 s VAL 72 CO -0.08 0.28 -0.24 0.18 0.00 0.00 0.00 175.10 175.25 3dn9 n LEU 73 N 3.50 2.73 -3.51 3.92 4.77 0.37 -4.88 117.00 123.91 3dn9 n LEU 73 Ca -0.02 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 3dn9 n LEU 73 Cb 0.51 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 3dn9 n LEU 73 CO 0.47 0.83 0.43 -0.94 -1.33 0.00 0.00 177.39 176.84 3dn9 s SER 74 N -6.52 -0.64 0.07 -1.43 1.04 -1.11 -5.01 113.70 100.09 3dn9 s SER 74 Ca -0.33 0.63 0.03 0.00 0.48 0.00 0.00 55.95 56.76 3dn9 s SER 74 Cb 0.09 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 3dn9 s SER 74 CO 0.53 -0.65 -0.09 0.54 0.98 0.00 0.00 173.24 174.55 3dn9 s ASN 75 N -1.36 1.14 -0.05 7.02 2.20 -1.26 0.19 114.94 122.82 3dn9 s ASN 75 Ca -0.10 -0.67 -0.30 0.00 -0.94 0.00 0.00 52.86 50.85 3dn9 s ASN 75 Cb -0.00 0.03 0.09 0.00 -2.00 0.00 0.00 41.25 39.36 3dn9 s ASN 75 CO 0.07 -0.23 0.78 -2.28 -2.94 0.00 0.00 177.10 172.50 3dn9 s HIS 76 N -1.88 -0.53 -0.00 1.54 2.46 -0.80 -5.02 115.29 111.06 3dn9 s HIS 76 Ca -0.03 0.80 0.05 0.00 0.47 0.00 0.00 55.06 56.35 3dn9 s HIS 76 Cb -0.07 0.45 -0.01 0.00 -0.13 0.00 0.00 32.58 32.82 3dn9 s HIS 76 CO -0.00 -0.56 -0.16 0.42 -2.47 0.00 0.00 174.74 171.97 3dn9 s ILE 77 N -1.69 1.23 -0.15 0.89 1.01 -1.26 -1.56 121.20 119.68 3dn9 s ILE 77 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3dn9 s ILE 77 Cb -0.00 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3dn9 s ILE 77 CO 0.03 0.29 -0.13 -0.63 0.00 0.00 0.00 174.94 174.50 3dn9 s ILE 78 N -0.46 1.48 0.01 2.92 1.01 -0.47 -4.99 121.20 120.71 3dn9 s ILE 78 Ca 0.05 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3dn9 s ILE 78 Cb -0.06 -1.42 -0.18 0.00 0.01 0.00 0.00 42.46 40.81 3dn9 s ILE 78 CO -0.00 0.42 1.23 0.00 0.00 0.00 0.00 174.94 176.59 3dn9 h ALA 79 N 8.07 0.15 -2.19 9.38 0.00 -1.87 -0.94 119.26 131.86 3dn9 h ALA 79 Ca -0.36 -0.40 -0.58 0.00 0.00 0.00 0.00 54.91 53.57 3dn9 h ALA 79 Cb 1.13 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 3dn9 h ALA 79 CO 0.50 0.14 -0.87 0.54 0.00 0.00 0.00 179.25 179.57 3dn9 n ARG 80 N -4.49 1.41 -1.94 0.00 1.74 -1.26 -3.30 116.66 108.83 3dn9 n ARG 80 Ca -0.08 -3.84 -0.41 0.00 -0.77 0.00 0.00 57.85 52.75 3dn9 n ARG 80 Cb 0.45 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.56 4.22 0.54 5.56 0.04 -1.26 -4.93 135.00 137.62 3dn9 s PRO 81 Ca 0.36 2.42 -0.21 0.00 0.04 0.00 0.00 61.00 63.60 3dn9 s PRO 81 Cb 0.13 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.61 3dn9 s PRO 81 CO -0.09 -0.39 1.26 -1.58 0.04 0.00 0.00 177.00 176.24 3dn9 s HIS 82 N -1.08 2.47 0.25 0.56 2.46 -1.26 -4.90 115.29 113.78 3dn9 s HIS 82 Ca 0.51 1.47 -0.06 0.00 0.47 0.00 0.00 55.06 57.45 3dn9 s HIS 82 Cb -0.44 -3.59 0.46 0.00 -0.13 0.00 0.00 32.58 28.89 3dn9 s HIS 82 CO 0.58 -2.32 1.63 0.93 -2.47 0.00 0.00 174.74 173.09 3dn9 h GLU 83 N 1.40 0.08 -0.80 2.88 5.08 -2.06 -1.16 114.58 120.00 3dn9 h GLU 83 Ca -0.50 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 3dn9 h GLU 83 Cb 1.29 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 3dn9 h GLU 83 CO 0.57 0.06 0.16 0.09 -1.00 0.00 0.00 179.01 178.89 3dn9 n ASN 84 N -5.37 4.11 0.12 1.42 3.02 -1.26 -3.98 115.26 113.32 3dn9 n ASN 84 Ca 0.14 -2.84 0.13 0.00 -0.03 0.00 0.00 54.58 51.98 3dn9 n ASN 84 Cb 0.50 -0.67 0.43 0.00 -0.61 0.00 0.00 39.78 39.42 3dn9 n ASN 84 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3dn9 h LEU 85 N 2.23 0.00 -0.01 3.41 5.85 -1.56 -3.28 115.31 121.95 3dn9 h LEU 85 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3dn9 h LEU 85 Cb 1.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.87 3dn9 h LEU 85 CO 0.51 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.99 3dn9 n GLU 86 N -2.30 0.00 -0.01 1.25 4.71 -1.26 -1.63 120.64 121.40 3dn9 n GLU 86 Ca 0.04 0.42 0.13 0.00 -0.01 0.00 0.00 57.16 57.75 3dn9 n GLU 86 Cb 0.37 -1.50 0.67 0.00 -1.01 0.00 0.00 31.44 29.97 3dn9 n GLU 86 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3dn9 n TYR 87 N -1.51 0.03 0.00 -0.32 4.01 -1.24 -3.41 117.16 114.73 3dn9 n TYR 87 Ca 0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3dn9 n TYR 87 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3dn9 n TYR 87 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3dn9 n VAL 88 N -0.48 0.00 -2.75 -0.72 0.24 -0.65 -5.06 118.33 108.91 3dn9 n VAL 88 Ca 0.19 -0.38 -0.31 0.00 -2.04 0.00 0.00 64.34 61.81 3dn9 n VAL 88 Cb 0.19 0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 3dn9 n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dn9 s LEU 89 N -1.93 3.78 0.00 1.34 1.43 -1.20 -5.16 118.68 116.94 3dn9 s LEU 89 Ca 0.00 1.22 0.27 0.00 -1.03 0.00 0.00 54.13 54.59 3dn9 s LEU 89 Cb 0.00 -4.11 0.83 0.00 0.03 0.00 0.00 46.19 42.94 3dn9 s LEU 89 CO 0.00 -0.44 1.62 -0.81 0.23 0.00 0.00 176.35 176.95