#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 3.51 -0.02 -1.28 0.00 0.23 -4.16 121.76 120.03 3dn9 s ALA 4 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3dn9 s ALA 4 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3dn9 s ALA 4 CO 0.00 -0.15 -0.18 0.54 0.00 0.00 0.00 175.76 175.97 3dn9 s VAL 5 N -2.99 1.46 -0.06 0.00 0.11 -0.31 -2.54 120.40 116.07 3dn9 s VAL 5 Ca 0.17 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 3dn9 s VAL 5 Cb 0.03 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.68 3dn9 s VAL 5 CO 0.09 0.41 -0.08 -0.83 -3.33 0.00 0.00 175.10 171.36 3dn9 s GLY 6 N -0.27 0.66 0.03 6.54 0.00 0.27 -1.45 107.32 113.10 3dn9 s GLY 6 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.49 3dn9 s GLY 6 CO 0.00 0.34 -0.07 -3.16 0.00 0.00 0.00 173.10 170.21 3dn9 s MET 7 N 0.91 0.52 -0.06 2.90 0.23 -0.59 -0.45 119.30 122.75 3dn9 s MET 7 Ca -0.11 -0.59 -0.00 0.00 -1.03 0.00 0.00 55.69 53.96 3dn9 s MET 7 Cb -0.15 -0.36 0.02 0.00 -1.53 0.00 0.00 34.83 32.82 3dn9 s MET 7 CO 0.01 0.08 -0.03 0.42 -2.03 0.00 0.00 175.02 173.46 3dn9 s ILE 8 N -0.99 0.56 -0.09 3.16 1.01 -0.93 -1.84 121.20 122.07 3dn9 s ILE 8 Ca -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 3dn9 s ILE 8 Cb -0.08 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 3dn9 s ILE 8 CO 0.00 0.26 0.02 -0.70 0.00 0.00 0.00 174.94 174.53 3dn9 s GLU 9 N 1.43 3.06 0.09 2.79 2.12 0.14 -1.79 118.70 126.54 3dn9 s GLU 9 Ca -0.03 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.97 3dn9 s GLU 9 Cb -0.13 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 3dn9 s GLU 9 CO -0.03 0.70 -0.10 0.95 -0.54 0.00 0.00 175.26 176.24 3dn9 s THR 10 N -0.87 0.89 -0.21 -1.70 -4.23 -0.09 -0.69 115.64 108.75 3dn9 s THR 10 Ca 0.13 -1.59 -0.25 0.00 -1.18 0.00 0.00 61.69 58.80 3dn9 s THR 10 Cb -0.11 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.42 3dn9 s THR 10 CO 0.02 -0.55 0.83 -0.22 -0.54 0.00 0.00 174.62 174.16 3dn9 s LEU 11 N -2.37 4.12 0.00 4.79 0.20 -0.76 -1.68 118.68 122.98 3dn9 s LEU 11 Ca 0.04 1.10 0.00 0.00 0.69 0.00 0.00 54.13 55.96 3dn9 s LEU 11 Cb -0.03 -3.21 0.00 0.00 -0.43 0.00 0.00 46.19 42.52 3dn9 s LEU 11 CO -0.00 -0.46 0.00 0.61 -0.29 0.00 0.00 176.35 176.21 3dn9 n GLY 12 N 3.61 0.59 0.19 7.98 0.00 -0.99 -3.93 105.19 112.64 3dn9 n GLY 12 Ca 0.05 -1.38 -0.15 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 0.76 -0.90 1.61 3.57 -1.91 -3.22 116.94 116.86 3dn9 h PHE 13 Ca 0.00 -0.28 0.12 0.00 3.53 0.00 0.00 57.97 61.34 3dn9 h PHE 13 Cb 0.00 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 3dn9 h PHE 13 CO 0.00 1.04 0.58 -1.35 -2.23 0.00 0.00 178.31 176.35 3dn9 h PRO 14 N 0.26 0.77 -0.16 6.41 0.11 -1.99 -0.34 132.00 137.06 3dn9 h PRO 14 Ca 0.00 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 3dn9 h PRO 14 Cb 1.01 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3dn9 h PRO 14 CO 0.09 0.51 -0.35 0.00 -0.21 0.00 0.00 178.00 178.04 3dn9 h ALA 15 N 1.58 1.12 0.00 -0.75 0.00 -1.86 -2.55 119.26 116.80 3dn9 h ALA 15 Ca 0.44 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dn9 h ALA 15 Cb 0.58 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dn9 h ALA 15 CO -0.20 0.56 -0.02 -0.24 0.00 0.00 0.00 179.25 179.35 3dn9 h VAL 16 N 0.28 0.05 0.12 0.00 3.04 -1.08 0.44 116.25 119.09 3dn9 h VAL 16 Ca 0.03 -0.70 -0.27 0.00 -1.01 0.00 0.00 66.70 64.75 3dn9 h VAL 16 Cb 0.75 1.66 0.01 0.00 -2.01 0.00 0.00 31.29 31.70 3dn9 h VAL 16 CO 0.06 0.02 -1.21 0.58 -1.01 0.00 0.00 177.57 176.01 3dn9 h VAL 17 N 0.00 1.48 0.20 1.51 2.07 -1.03 -2.04 116.25 118.43 3dn9 h VAL 17 Ca -0.00 -2.96 -0.01 0.00 0.82 0.00 0.00 66.70 64.55 3dn9 h VAL 17 Cb 0.66 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3dn9 h VAL 17 CO 0.00 0.87 -0.09 -0.08 0.02 0.00 0.00 177.57 178.29 3dn9 h GLU 18 N 0.10 -0.25 -0.88 1.57 4.57 -1.10 -0.29 114.58 118.29 3dn9 h GLU 18 Ca -0.13 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.16 3dn9 h GLU 18 Cb 1.92 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 30.45 3dn9 h GLU 18 CO 0.20 0.09 -0.47 0.00 -1.18 0.00 0.00 179.01 177.65 3dn9 n ALA 19 N -2.42 -0.44 0.16 2.92 0.00 0.11 -0.28 120.51 120.56 3dn9 n ALA 19 Ca -0.09 0.79 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 3dn9 n ALA 19 Cb 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 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 0.66 -0.46 -0.22 0.00 0.00 -1.34 -1.65 119.26 116.25 3dn9 h ALA 20 Ca 0.19 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dn9 h ALA 20 Cb 0.41 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3dn9 h ALA 20 CO -0.84 -0.79 -0.01 0.22 0.00 0.00 0.00 179.25 177.83 3dn9 h ASP 21 N -0.48 -0.11 -0.60 0.00 3.58 0.22 -1.66 116.42 117.36 3dn9 h ASP 21 Ca -0.00 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3dn9 h ASP 21 Cb 0.45 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 3dn9 h ASP 21 CO -0.05 -0.03 0.30 0.28 -2.88 0.00 0.00 179.24 176.86 3dn9 h SER 22 N 0.05 0.78 0.28 2.28 0.02 -0.64 -1.87 113.55 114.45 3dn9 h SER 22 Ca 0.10 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3dn9 h SER 22 Cb 0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3dn9 h SER 22 CO -0.19 0.69 -0.31 0.24 -1.14 0.00 0.00 176.83 176.12 3dn9 h MET 23 N 0.82 -0.61 0.00 3.45 2.86 -0.86 -1.78 114.93 118.80 3dn9 h MET 23 Ca 0.21 0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.80 3dn9 h MET 23 Cb 0.11 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3dn9 h MET 23 CO -0.03 -0.41 -0.43 -0.24 1.06 0.00 0.00 176.91 176.87 3dn9 h VAL 24 N -0.64 1.11 0.00 -2.22 3.04 -1.13 -2.20 116.25 114.22 3dn9 h VAL 24 Ca -0.01 -1.56 -0.15 0.00 -1.01 0.00 0.00 66.70 63.97 3dn9 h VAL 24 Cb 0.59 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.74 3dn9 h VAL 24 CO -0.08 0.42 -0.74 0.11 -1.01 0.00 0.00 177.57 176.27 3dn9 h LYS 25 N 0.00 0.00 -0.11 4.17 1.57 -1.33 -3.36 116.57 117.52 3dn9 h LYS 25 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3dn9 h LYS 25 Cb 0.85 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.18 3dn9 h LYS 25 CO 0.06 0.74 -0.86 0.00 -0.57 0.00 0.00 179.45 178.82 3dn9 h ALA 26 N 1.26 0.25 -3.59 3.86 0.00 -0.66 -3.48 119.26 116.89 3dn9 h ALA 26 Ca -0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 54.08 3dn9 h ALA 26 Cb 1.53 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 3dn9 h ALA 26 CO 0.10 0.68 -0.13 0.00 0.00 0.00 0.00 179.25 179.89 3dn9 n ALA 27 N -2.62 -0.06 -2.78 0.00 0.00 -1.19 -4.85 120.51 109.01 3dn9 n ALA 27 Ca -0.09 -1.00 -0.44 0.00 0.00 0.00 0.00 53.44 51.91 3dn9 n ALA 27 Cb 0.79 0.81 0.00 0.00 0.00 0.00 0.00 19.45 21.05 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 -0.35 3.38 -4.12 0.00 5.12 -1.26 -4.78 116.66 114.64 3dn9 n ARG 28 Ca 0.01 -3.71 -0.13 0.00 -1.93 0.00 0.00 57.85 52.10 3dn9 n ARG 28 Cb 0.35 -3.08 -0.11 0.00 -1.16 0.00 0.00 32.46 28.46 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 1.73 0.69 -0.19 1.55 -7.23 -1.26 -4.28 120.40 111.40 3dn9 s VAL 29 Ca 0.44 -1.43 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 3dn9 s VAL 29 Cb 0.00 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 3dn9 s VAL 29 CO 0.01 -0.54 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.34 3dn9 s THR 30 N -2.18 3.66 -0.24 5.32 2.01 0.68 -4.83 115.64 120.06 3dn9 s THR 30 Ca -0.01 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 3dn9 s THR 30 Cb -0.05 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 3dn9 s THR 30 CO -0.01 0.44 1.83 -0.22 -0.69 0.00 0.00 174.62 175.98 3dn9 s LEU 31 N 1.02 3.70 -0.00 4.42 2.96 -1.26 -1.57 118.68 127.94 3dn9 s LEU 31 Ca 0.01 1.63 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 3dn9 s LEU 31 Cb -0.15 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 3dn9 s LEU 31 CO 0.01 -1.55 0.21 1.33 -1.32 0.00 0.00 176.35 175.03 3dn9 n VAL 32 N 7.00 0.00 -3.69 1.68 0.24 -0.11 -5.00 118.33 118.46 3dn9 n VAL 32 Ca 0.23 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 62.10 3dn9 n VAL 32 Cb 0.45 0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 33.54 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 -1.91 -0.41 -0.12 7.63 0.00 -0.82 -4.82 107.32 106.87 3dn9 s GLY 33 Ca 0.01 1.54 -0.01 0.00 0.00 0.00 0.00 44.72 46.25 3dn9 s GLY 33 CO 0.25 1.34 -0.01 -0.47 0.00 0.00 0.00 173.10 174.20 3dn9 s TYR 34 N 0.33 0.99 -0.08 1.90 5.04 -1.26 0.07 117.35 124.34 3dn9 s TYR 34 Ca -0.00 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.12 3dn9 s TYR 34 Cb -0.04 -0.98 0.01 0.00 0.35 0.00 0.00 41.96 41.30 3dn9 s TYR 34 CO 0.00 -0.46 -0.14 -2.00 -1.34 0.00 0.00 175.55 171.61 3dn9 s GLU 35 N 1.87 1.94 -0.15 4.97 2.56 -0.07 -4.95 118.70 124.86 3dn9 s GLU 35 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 54.97 54.48 3dn9 s GLU 35 Cb -0.14 -1.59 -0.03 0.00 2.00 0.00 0.00 34.13 34.37 3dn9 s GLU 35 CO -0.07 0.02 -0.03 0.15 -0.56 0.00 0.00 175.26 174.77 3dn9 s LYS 36 N 0.71 3.68 -0.06 4.30 1.02 -1.26 -0.58 119.74 127.55 3dn9 s LYS 36 Ca -0.13 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.44 3dn9 s LYS 36 Cb -0.16 -2.92 0.16 0.00 -0.52 0.00 0.00 37.83 34.39 3dn9 s LYS 36 CO 0.03 0.25 1.09 0.44 -0.92 0.00 0.00 175.35 176.24 3dn9 n ILE 37 N 3.51 1.43 -1.70 2.17 -5.35 -1.08 -5.06 119.36 113.28 3dn9 n ILE 37 Ca -0.17 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.73 3dn9 n ILE 37 Cb 0.52 0.15 -0.00 0.00 -1.74 0.00 0.00 39.64 38.58 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 -0.86 -2.18 2.41 3.28 0.00 -1.26 -4.90 105.19 101.68 3dn9 n GLY 38 Ca 0.08 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.27 -5.27 -0.98 1.61 2.88 -1.26 -1.15 113.62 109.17 3dn9 n SER 39 Ca 0.00 0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 3dn9 n SER 39 Cb 0.01 -4.45 -0.05 0.00 -0.75 0.00 0.00 64.21 58.97 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 -0.87 1.30 3.54 0.46 0.00 -1.26 -4.98 105.19 103.38 3dn9 n GLY 40 Ca -0.21 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.99 3.52 -0.04 1.61 0.52 -0.30 -2.34 118.95 118.92 3dn9 s ARG 41 Ca 0.00 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 54.73 3dn9 s ARG 41 Cb 0.00 -3.81 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 3dn9 s ARG 41 CO 0.00 -0.50 -0.18 0.14 0.02 0.00 0.00 175.30 174.78 3dn9 s VAL 42 N 1.88 1.52 0.01 3.52 -7.23 -0.68 -2.62 120.40 116.80 3dn9 s VAL 42 Ca 0.09 -0.78 0.09 0.00 -1.81 0.00 0.00 61.98 59.57 3dn9 s VAL 42 Cb -0.17 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 3dn9 s VAL 42 CO 0.11 0.43 -0.26 -0.89 -0.31 0.00 0.00 175.10 174.19 3dn9 s THR 43 N -0.10 2.06 -0.06 5.32 2.01 0.26 -0.91 115.64 124.23 3dn9 s THR 43 Ca -0.01 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 60.81 3dn9 s THR 43 Cb -0.11 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 3dn9 s THR 43 CO 0.02 0.47 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.48 3dn9 s VAL 44 N -0.70 1.96 -0.06 3.82 1.01 -0.74 -0.89 120.40 124.81 3dn9 s VAL 44 Ca 0.11 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3dn9 s VAL 44 Cb -0.10 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.63 3dn9 s VAL 44 CO 0.01 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 174.92 3dn9 s ILE 45 N -0.08 0.98 0.11 2.22 1.01 0.11 -2.19 121.20 123.37 3dn9 s ILE 45 Ca -0.05 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3dn9 s ILE 45 Cb -0.14 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 3dn9 s ILE 45 CO 0.04 0.32 -0.13 0.68 0.00 0.00 0.00 174.94 175.85 3dn9 s VAL 46 N 0.66 1.23 0.09 2.92 -7.23 0.41 -0.93 120.40 117.56 3dn9 s VAL 46 Ca -0.13 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.46 3dn9 s VAL 46 Cb -0.15 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3dn9 s VAL 46 CO 0.03 -0.42 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.06 3dn9 s ARG 47 N -2.59 1.15 0.00 4.82 1.81 -0.61 -0.56 118.95 122.97 3dn9 s ARG 47 Ca 0.07 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 3dn9 s ARG 47 Cb -0.05 -1.39 0.00 0.00 -0.45 0.00 0.00 34.95 33.05 3dn9 s ARG 47 CO 0.02 0.33 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 3dn9 n GLY 48 N 1.19 -0.07 3.58 -3.53 0.00 -1.05 -0.23 105.19 105.08 3dn9 n GLY 48 Ca -0.19 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 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 0.67 -0.22 1.61 8.00 -1.26 0.74 116.55 126.08 3dn9 n ASP 49 Ca 0.00 0.94 0.11 0.00 0.71 0.00 0.00 54.79 56.55 3dn9 n ASP 49 Cb 0.00 -1.31 0.40 0.00 -0.02 0.00 0.00 41.12 40.18 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 1.10 0.88 0.01 2.53 3.04 -1.89 0.24 116.25 122.17 3dn9 h VAL 50 Ca -0.45 -0.22 -0.20 0.00 -1.01 0.00 0.00 66.70 64.82 3dn9 h VAL 50 Cb 1.36 0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 3dn9 h VAL 50 CO 0.54 0.12 -0.90 0.77 -1.01 0.00 0.00 177.57 177.08 3dn9 h SER 51 N 0.65 0.14 -0.12 3.17 4.64 -1.99 0.56 113.55 120.60 3dn9 h SER 51 Ca 0.39 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.53 3dn9 h SER 51 Cb 0.61 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3dn9 h SER 51 CO -0.15 0.97 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.29 3dn9 h GLU 52 N 0.05 0.31 -0.35 4.77 4.39 -1.64 -1.83 114.58 120.29 3dn9 h GLU 52 Ca -0.03 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.55 3dn9 h GLU 52 Cb 1.56 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.18 3dn9 h GLU 52 CO 0.13 0.74 0.04 0.28 -1.16 0.00 0.00 179.01 179.04 3dn9 h VAL 53 N -0.09 0.80 -0.60 3.13 2.07 -0.57 -0.63 116.25 120.35 3dn9 h VAL 53 Ca 0.02 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3dn9 h VAL 53 Cb 0.69 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3dn9 h VAL 53 CO 0.04 0.03 0.29 1.56 0.02 0.00 0.00 177.57 179.51 3dn9 h GLN 54 N 0.15 0.53 -0.51 1.57 4.20 -0.85 -1.01 115.11 119.19 3dn9 h GLN 54 Ca 0.17 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 3dn9 h GLN 54 Cb 0.20 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3dn9 h GLN 54 CO -0.24 0.35 0.20 0.00 -0.67 0.00 0.00 178.83 178.47 3dn9 h ALA 55 N 1.35 0.67 0.29 3.87 0.00 -0.98 -2.74 119.26 121.72 3dn9 h ALA 55 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dn9 h ALA 55 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dn9 h ALA 55 CO -0.21 0.29 -0.14 0.77 0.00 0.00 0.00 179.25 179.96 3dn9 h SER 56 N 0.69 -0.33 -0.60 0.00 0.02 -0.58 -2.44 113.55 110.30 3dn9 h SER 56 Ca 0.17 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3dn9 h SER 56 Cb 0.21 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 3dn9 h SER 56 CO -0.01 -0.08 0.31 0.58 -1.14 0.00 0.00 176.83 176.49 3dn9 h VAL 57 N -0.58 0.93 -0.54 2.27 2.07 -1.23 -0.50 116.25 118.66 3dn9 h VAL 57 Ca -0.04 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3dn9 h VAL 57 Cb 0.42 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3dn9 h VAL 57 CO 0.07 0.11 0.26 0.74 0.02 0.00 0.00 177.57 178.76 3dn9 h THR 58 N 0.58 0.91 -0.72 2.57 2.02 -1.48 -1.47 112.91 115.32 3dn9 h THR 58 Ca 0.27 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 3dn9 h THR 58 Cb 0.20 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 3dn9 h THR 58 CO -0.19 0.09 0.39 0.00 0.37 0.00 0.00 175.52 176.17 3dn9 h ALA 59 N 1.31 1.33 -0.38 6.16 0.00 -0.87 -2.71 119.26 124.10 3dn9 h ALA 59 Ca 0.25 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3dn9 h ALA 59 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dn9 h ALA 59 CO -0.19 0.54 -0.08 0.78 0.00 0.00 0.00 179.25 180.30 3dn9 h GLY 60 N 1.05 0.79 1.23 0.00 0.00 -0.14 -2.06 103.07 103.93 3dn9 h GLY 60 Ca 0.25 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 3dn9 h GLY 60 CO -0.04 0.59 -0.11 -2.22 0.00 0.00 0.00 176.54 174.75 3dn9 h ILE 61 N 0.53 1.26 -0.05 2.60 2.04 -1.27 -2.70 117.51 119.92 3dn9 h ILE 61 Ca 0.10 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3dn9 h ILE 61 Cb 0.60 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3dn9 h ILE 61 CO 0.04 0.43 0.00 -0.33 0.00 0.00 0.00 178.15 178.29 3dn9 h GLU 62 N 0.81 0.08 0.00 2.37 5.08 -1.42 -3.30 114.58 118.21 3dn9 h GLU 62 Ca 0.13 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3dn9 h GLU 62 Cb 0.64 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3dn9 h GLU 62 CO 0.04 0.36 -0.16 -0.91 -1.00 0.00 0.00 179.01 177.34 3dn9 h ASN 63 N -0.20 0.00 0.25 1.42 4.21 -1.31 -2.53 115.58 117.42 3dn9 h ASN 63 Ca 0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 3dn9 h ASN 63 Cb 0.32 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3dn9 h ASN 63 CO 0.00 0.16 -0.07 0.40 -1.29 0.00 0.00 177.43 176.64 3dn9 h ILE 64 N 0.00 0.49 0.00 2.81 2.04 -1.56 0.83 117.51 122.13 3dn9 h ILE 64 Ca -0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3dn9 h ILE 64 Cb 0.71 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3dn9 h ILE 64 CO 0.02 0.07 0.04 0.03 0.00 0.00 0.00 178.15 178.31 3dn9 h ARG 65 N 0.00 0.00 -0.01 2.37 3.08 -1.60 -1.60 114.38 116.62 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3dn9 h ARG 65 CO 0.01 0.00 -0.08 0.54 -1.07 0.00 0.00 179.97 179.37 3dn9 n ARG 66 N -3.03 1.45 -3.33 0.04 1.74 0.29 -4.83 116.66 108.99 3dn9 n ARG 66 Ca -0.03 -0.87 -0.38 0.00 -0.77 0.00 0.00 57.85 55.80 3dn9 n ARG 66 Cb 0.10 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.15 5.15 -0.32 1.55 1.01 -0.60 -5.01 120.40 120.03 3dn9 s VAL 67 Ca 0.34 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 3dn9 s VAL 67 Cb 0.20 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3dn9 s VAL 67 CO 0.39 0.36 1.56 0.20 0.00 0.00 0.00 175.10 177.61 3dn9 s ASN 68 N 0.36 6.28 0.00 3.32 0.01 -1.26 -2.26 114.94 121.38 3dn9 s ASN 68 Ca 0.26 1.25 0.00 0.00 -0.71 0.00 0.00 52.86 53.66 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 0.11 -1.40 0.00 0.61 -1.51 0.00 0.00 177.10 174.91 3dn9 n GLY 69 N 4.94 0.79 3.76 0.66 0.00 -1.26 -5.03 105.19 109.05 3dn9 n GLY 69 Ca 0.19 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 3.08 -0.08 -0.02 0.00 -0.96 -4.93 107.32 102.35 3dn9 s GLY 70 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 44.72 45.49 3dn9 s GLY 70 CO 0.00 1.41 0.18 1.85 0.00 0.00 0.00 173.10 176.55 3dn9 s GLU 71 N -1.33 0.13 -0.07 2.90 2.12 -1.25 -4.92 118.70 116.29 3dn9 s GLU 71 Ca 0.44 0.45 -0.21 0.00 0.36 0.00 0.00 54.97 56.00 3dn9 s GLU 71 Cb -0.30 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 33.89 3dn9 s GLU 71 CO 0.38 -0.18 0.62 0.08 -0.54 0.00 0.00 175.26 175.63 3dn9 s VAL 72 N 1.30 5.05 -0.25 3.70 1.01 -1.26 -1.82 120.40 128.12 3dn9 s VAL 72 Ca -0.08 1.28 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 3dn9 s VAL 72 Cb -0.11 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 3dn9 s VAL 72 CO -0.07 0.31 -0.27 0.18 0.00 0.00 0.00 175.10 175.25 3dn9 n LEU 73 N 3.52 2.50 -3.56 3.92 4.77 0.14 -4.90 117.00 123.40 3dn9 n LEU 73 Ca -0.04 0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 3dn9 n LEU 73 Cb 0.51 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 3dn9 n LEU 73 CO 0.45 0.76 0.39 -0.94 -1.33 0.00 0.00 177.39 176.72 3dn9 s SER 74 N -6.80 -0.62 0.03 -1.43 1.04 -1.13 -5.00 113.70 99.79 3dn9 s SER 74 Ca -0.35 0.71 0.02 0.00 0.48 0.00 0.00 55.95 56.82 3dn9 s SER 74 Cb 0.11 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 3dn9 s SER 74 CO 0.52 -0.56 -0.08 0.54 0.98 0.00 0.00 173.24 174.64 3dn9 s ASN 75 N -1.06 0.89 0.01 7.02 2.20 -1.26 0.24 114.94 122.97 3dn9 s ASN 75 Ca -0.10 -0.46 -0.28 0.00 -0.94 0.00 0.00 52.86 51.08 3dn9 s ASN 75 Cb -0.01 0.01 0.07 0.00 -2.00 0.00 0.00 41.25 39.31 3dn9 s ASN 75 CO 0.09 -0.14 0.64 -2.28 -2.94 0.00 0.00 177.10 172.47 3dn9 s HIS 76 N -1.11 -0.60 0.01 1.54 2.46 -0.77 -5.02 115.29 111.80 3dn9 s HIS 76 Ca -0.07 0.86 0.05 0.00 0.47 0.00 0.00 55.06 56.37 3dn9 s HIS 76 Cb -0.08 0.43 -0.02 0.00 -0.13 0.00 0.00 32.58 32.78 3dn9 s HIS 76 CO 0.00 -0.67 -0.14 0.42 -2.47 0.00 0.00 174.74 171.89 3dn9 s ILE 77 N -1.93 1.12 -0.13 0.89 1.01 -1.26 -1.54 121.20 119.35 3dn9 s ILE 77 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3dn9 s ILE 77 Cb -0.00 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.52 3dn9 s ILE 77 CO 0.03 0.17 -0.11 -0.63 0.00 0.00 0.00 174.94 174.40 3dn9 s ILE 78 N -0.57 1.31 -0.03 2.92 1.01 -0.53 -4.98 121.20 120.33 3dn9 s ILE 78 Ca 0.04 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 3dn9 s ILE 78 Cb -0.07 -1.27 -0.20 0.00 0.01 0.00 0.00 42.46 40.93 3dn9 s ILE 78 CO 0.00 0.41 1.17 0.00 0.00 0.00 0.00 174.94 176.53 3dn9 h ALA 79 N 8.09 0.05 -2.19 9.38 0.00 -1.87 -0.81 119.26 131.92 3dn9 h ALA 79 Ca -0.34 -0.34 -0.58 0.00 0.00 0.00 0.00 54.91 53.64 3dn9 h ALA 79 Cb 1.13 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 3dn9 h ALA 79 CO 0.47 -0.08 -0.83 0.54 0.00 0.00 0.00 179.25 179.36 3dn9 n ARG 80 N -4.69 1.59 -1.86 0.00 1.74 -1.26 -3.23 116.66 108.95 3dn9 n ARG 80 Ca -0.08 -3.97 -0.41 0.00 -0.77 0.00 0.00 57.85 52.62 3dn9 n ARG 80 Cb 0.36 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.72 4.02 0.52 5.56 0.04 -1.26 -4.93 135.00 137.23 3dn9 s PRO 81 Ca 0.36 2.45 -0.22 0.00 0.04 0.00 0.00 61.00 63.64 3dn9 s PRO 81 Cb 0.14 -2.88 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 3dn9 s PRO 81 CO -0.07 -0.56 1.25 -1.58 0.04 0.00 0.00 177.00 176.08 3dn9 s HIS 82 N -1.16 2.54 0.27 0.56 2.46 -1.26 -4.91 115.29 113.79 3dn9 s HIS 82 Ca 0.55 1.47 -0.03 0.00 0.47 0.00 0.00 55.06 57.51 3dn9 s HIS 82 Cb -0.44 -3.56 0.56 0.00 -0.13 0.00 0.00 32.58 29.01 3dn9 s HIS 82 CO 0.59 -2.20 1.63 0.93 -2.47 0.00 0.00 174.74 173.22 3dn9 h GLU 83 N 1.56 0.12 -0.75 2.88 5.08 -2.06 -0.93 114.58 120.47 3dn9 h GLU 83 Ca -0.50 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 3dn9 h GLU 83 Cb 1.28 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 3dn9 h GLU 83 CO 0.58 0.08 0.08 0.09 -1.00 0.00 0.00 179.01 178.84 3dn9 n ASN 84 N -5.34 4.27 0.08 1.42 3.02 -1.26 -4.01 115.26 113.44 3dn9 n ASN 84 Ca 0.17 -2.76 0.12 0.00 -0.03 0.00 0.00 54.58 52.09 3dn9 n ASN 84 Cb 0.58 -0.65 0.46 0.00 -0.61 0.00 0.00 39.78 39.55 3dn9 n ASN 84 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3dn9 n LEU 85 N 0.25 0.57 0.05 3.41 7.94 -0.36 -3.46 117.00 125.40 3dn9 n LEU 85 Ca 0.24 0.58 0.06 0.00 -1.11 0.00 0.00 56.01 55.78 3dn9 n LEU 85 Cb 1.01 -0.43 0.26 0.00 0.53 0.00 0.00 43.42 44.79 3dn9 n LEU 85 CO 0.27 -0.25 0.67 -0.62 -1.11 0.00 0.00 177.39 176.36 3dn9 n GLU 86 N -2.06 0.05 -0.00 1.96 4.71 -1.26 -1.77 120.64 122.28 3dn9 n GLU 86 Ca 0.05 0.45 0.16 0.00 -0.01 0.00 0.00 57.16 57.80 3dn9 n GLU 86 Cb 0.34 -1.64 0.88 0.00 -1.01 0.00 0.00 31.44 30.02 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 -1.75 0.00 0.00 -0.32 4.01 -1.22 -3.23 117.16 114.64 3dn9 n TYR 87 Ca 0.01 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3dn9 n TYR 87 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.83 0.00 -2.84 -0.72 0.24 -0.73 -5.05 118.33 108.40 3dn9 n VAL 88 Ca 0.23 -0.44 -0.31 0.00 -2.04 0.00 0.00 64.34 61.78 3dn9 n VAL 88 Cb 0.14 0.97 -0.04 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 -1.90 3.85 0.00 1.34 1.43 -1.20 -5.16 118.68 117.04 3dn9 s LEU 89 Ca 0.00 1.26 0.27 0.00 -1.03 0.00 0.00 54.13 54.63 3dn9 s LEU 89 Cb 0.00 -4.13 0.93 0.00 0.03 0.00 0.00 46.19 43.02 3dn9 s LEU 89 CO 0.00 -0.39 1.68 -0.81 0.23 0.00 0.00 176.35 177.06