#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 n GLY 2 N 0.00 4.57 3.35 2.98 0.00 -1.26 -5.12 105.19 109.72 1qo6 n GLY 2 Ca 0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 1qo6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qo6 n HIS 3 N -1.65 -1.60 -3.96 1.61 8.25 -1.26 -4.23 115.22 112.38 1qo6 n HIS 3 Ca 0.00 0.20 -0.35 0.00 -0.26 0.00 0.00 57.72 57.31 1qo6 n HIS 3 Cb 0.00 -1.70 -0.13 0.00 1.12 0.00 0.00 29.99 29.28 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 s VAL 5 N 1.32 2.31 0.04 0.00 1.01 -1.26 0.28 120.40 124.11 1qo6 s VAL 5 Ca 0.04 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1qo6 s VAL 5 Cb -0.15 -1.85 -0.20 0.00 0.00 0.00 0.00 36.38 34.18 1qo6 s VAL 5 CO -0.00 0.57 1.20 0.71 0.00 0.00 0.00 175.10 177.58 1qo6 h THR 6 N 4.76 1.36 0.00 3.92 1.35 -1.98 -3.48 112.91 118.85 1qo6 h THR 6 Ca -0.38 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1qo6 h THR 6 Cb 1.16 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1qo6 h THR 6 CO 0.48 0.59 0.00 -0.67 -0.25 0.00 0.00 175.52 175.67 1qo6 n ASP 7 N -4.15 -0.36 0.00 5.36 -0.08 -1.26 -5.03 116.55 111.03 1qo6 n ASP 7 Ca -0.09 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1qo6 n ASP 7 Cb 0.67 0.54 0.00 0.00 2.34 0.00 0.00 41.12 44.67 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1qo6 n SER 8 N -2.40 0.00 0.12 1.67 3.41 -1.26 -5.05 113.62 110.11 1qo6 n SER 8 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qo6 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qo6 n GLY 9 N 0.00 -0.90 3.14 5.00 0.00 -1.26 -5.07 105.19 106.10 1qo6 n GLY 9 Ca 0.00 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1qo6 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 10 N -2.00 3.03 -1.24 1.61 1.01 -1.26 -5.03 120.40 116.51 1qo6 s VAL 10 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 61.98 60.10 1qo6 s VAL 10 Cb 0.00 -2.91 0.14 0.00 0.00 0.00 0.00 36.38 33.60 1qo6 s VAL 10 CO 0.00 -0.37 1.55 0.52 0.00 0.00 0.00 175.10 176.80 1qo6 n VAL 11 N 4.58 4.16 -0.32 2.92 0.31 -1.26 -3.42 118.33 125.29 1qo6 n VAL 11 Ca -0.07 -4.51 -0.30 0.00 -0.01 0.00 0.00 64.34 59.45 1qo6 n VAL 11 Cb 0.42 -2.43 0.28 0.00 -0.91 0.00 0.00 33.84 31.21 1qo6 n VAL 11 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qo6 n TYR 12 N 6.41 -2.84 -4.37 3.52 4.01 0.81 -4.73 117.16 119.97 1qo6 n TYR 12 Ca 0.41 -0.56 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 1qo6 n TYR 12 Cb 0.43 -1.48 -0.10 0.00 -0.31 0.00 0.00 39.34 37.88 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qo6 s SER 13 N -2.78 2.80 -0.90 7.72 0.01 -1.26 -0.23 113.70 119.05 1qo6 s SER 13 Ca 0.68 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 1qo6 s SER 13 Cb -0.18 -0.17 -0.29 0.00 0.21 0.00 0.00 66.02 65.59 1qo6 s SER 13 CO 0.60 -0.09 2.12 0.55 0.41 0.00 0.00 173.24 176.83 1qo6 n VAL 14 N -0.24 0.00 -0.65 3.43 3.14 -1.26 -0.98 118.33 121.77 1qo6 n VAL 14 Ca -0.09 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 1qo6 n VAL 14 Cb 0.59 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 1qo6 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qo6 n GLY 15 N 5.65 0.79 0.05 7.55 0.00 -0.42 -5.03 105.19 113.78 1qo6 n GLY 15 Ca 0.60 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qo6 n MET 16 N -0.54 1.23 -1.80 1.61 2.00 -0.15 -5.02 117.12 114.44 1qo6 n MET 16 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.64 1qo6 n MET 16 Cb 0.20 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.05 1qo6 n MET 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1qo6 n GLN 17 N -2.34 -4.60 -3.42 0.03 6.02 -1.26 -5.01 117.38 106.79 1qo6 n GLN 17 Ca -0.16 3.36 -0.08 0.00 -0.01 0.00 0.00 57.00 60.11 1qo6 n GLN 17 Cb 0.76 -3.80 0.02 0.00 1.02 0.00 0.00 30.24 28.24 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1qo6 n TRP 18 N 0.02 -2.12 -4.38 1.08 2.14 -0.14 -5.01 117.44 109.04 1qo6 n TRP 18 Ca 0.00 -1.65 -0.31 0.00 2.07 0.00 0.00 57.50 57.61 1qo6 n TRP 18 Cb 0.00 0.78 -0.16 0.00 -0.81 0.00 0.00 31.31 31.12 1qo6 n TRP 18 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1qo6 s LEU 19 N 0.00 1.89 -0.03 5.67 2.01 -1.26 -1.62 118.68 125.34 1qo6 s LEU 19 Ca 0.15 -0.53 -0.12 0.00 0.01 0.00 0.00 54.13 53.64 1qo6 s LEU 19 Cb -0.04 -1.28 -0.05 0.00 0.01 0.00 0.00 46.19 44.83 1qo6 s LEU 19 CO 0.11 0.02 0.32 -0.75 1.01 0.00 0.00 176.35 177.06 1qo6 s LYS 20 N 1.09 3.74 0.00 1.70 2.47 0.31 -4.84 119.74 124.21 1qo6 s LYS 20 Ca -0.02 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.59 1qo6 s LYS 20 Cb -0.14 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.04 1qo6 s LYS 20 CO -0.05 0.71 0.00 2.41 0.16 0.00 0.00 175.35 178.57 1qo6 n THR 21 N 1.78 0.00 -2.52 3.43 -1.04 -1.26 -0.62 114.28 114.05 1qo6 n THR 21 Ca -0.15 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 1qo6 n THR 21 Cb 0.53 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 1qo6 n THR 21 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qo6 s GLN 22 N -1.67 3.46 0.23 -2.82 -0.21 -1.26 -4.14 119.66 113.25 1qo6 s GLN 22 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1qo6 s GLN 22 Cb 0.00 -5.18 0.00 0.00 1.00 0.00 0.00 33.01 28.83 1qo6 s GLN 22 CO 0.00 -2.29 0.00 0.41 -2.12 0.00 0.00 175.29 171.29 1qo6 n GLY 23 N 6.69 -1.61 1.94 3.09 0.00 -1.26 -5.05 105.19 108.99 1qo6 n GLY 23 Ca 0.30 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1qo6 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 24 N -3.23 0.00 0.00 1.61 4.05 -1.26 -5.10 115.26 111.33 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1qo6 n ASN 24 Cb 0.00 0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.33 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1qo6 n LYS 25 N -2.47 0.00 -3.68 1.20 0.00 -1.26 -5.13 118.16 106.81 1qo6 n LYS 25 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1qo6 n LYS 25 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 34.90 1qo6 n LYS 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1qo6 s GLN 26 N 0.00 0.17 0.02 -1.58 -0.44 -1.26 -4.78 119.66 111.78 1qo6 s GLN 26 Ca 0.00 0.68 0.00 0.00 -2.50 0.00 0.00 55.36 53.54 1qo6 s GLN 26 Cb 0.00 -0.06 -0.02 0.00 -1.64 0.00 0.00 33.01 31.29 1qo6 s GLN 26 CO 0.00 -0.25 -0.03 1.41 0.50 0.00 0.00 175.29 176.93 1qo6 s MET 27 N 2.04 0.26 -0.22 1.67 -2.45 0.21 -0.18 119.30 120.62 1qo6 s MET 27 Ca -0.02 -0.50 -0.06 0.00 -1.25 0.00 0.00 55.69 53.86 1qo6 s MET 27 Cb -0.11 0.07 -0.03 0.00 1.25 0.00 0.00 34.83 36.01 1qo6 s MET 27 CO -0.09 -0.04 0.04 -1.17 1.05 0.00 0.00 175.02 174.81 1qo6 s LEU 28 N -1.18 3.37 0.10 4.11 2.96 -0.99 0.11 118.68 127.17 1qo6 s LEU 28 Ca -0.13 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1qo6 s LEU 28 Cb -0.08 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1qo6 s LEU 28 CO -0.01 0.03 -0.02 0.00 -1.32 0.00 0.00 176.35 175.02 1qo6 s THR 30 N -1.33 0.01 -0.45 0.00 2.01 0.30 -0.96 115.64 115.21 1qo6 s THR 30 Ca 0.25 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 1qo6 s THR 30 Cb -0.11 -0.65 0.10 0.00 0.01 0.00 0.00 72.50 71.85 1qo6 s THR 30 CO 0.17 -0.05 0.31 0.00 -0.69 0.00 0.00 174.62 174.36 1qo6 n LEU 32 N 4.91 0.00 0.00 0.00 -0.00 -1.18 -1.30 117.00 119.42 1qo6 n LEU 32 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1qo6 n LEU 32 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1qo6 n LEU 32 CO 0.41 0.00 -0.08 0.61 -0.00 0.00 0.00 177.39 178.34 1qo6 n GLY 33 N 3.48 0.00 0.22 1.47 0.00 -1.26 -4.39 105.19 104.71 1qo6 n GLY 33 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qo6 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qo6 h ASN 34 N 0.00 0.26 0.00 1.61 -1.07 -2.01 -3.28 115.58 111.09 1qo6 h ASN 34 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.29 1qo6 h ASN 34 Cb 0.15 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1qo6 h ASN 34 CO 0.00 0.53 0.00 0.61 0.07 0.00 0.00 177.43 178.64 1qo6 n GLY 35 N -0.50 -0.71 2.77 9.14 0.00 -1.26 -4.99 105.19 109.64 1qo6 n GLY 35 Ca -0.01 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.48 1qo6 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 36 N 0.00 -0.22 0.04 1.61 1.01 -1.26 -3.08 120.40 118.49 1qo6 s VAL 36 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1qo6 s VAL 36 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1qo6 s VAL 36 CO 0.00 0.09 0.06 -0.55 0.00 0.00 0.00 175.10 174.70 1qo6 s SER 37 N 2.26 5.48 0.05 3.32 0.15 0.38 -4.88 113.70 120.46 1qo6 s SER 37 Ca 0.04 0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.71 1qo6 s SER 37 Cb -0.13 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 1qo6 s SER 37 CO -0.06 0.22 0.07 0.00 1.20 0.00 0.00 173.24 174.67 1qo6 s GLN 39 N -2.10 0.49 -0.97 0.00 -0.21 -0.47 -4.97 119.66 111.43 1qo6 s GLN 39 Ca 0.04 0.99 -0.24 0.00 0.02 0.00 0.00 55.36 56.17 1qo6 s GLN 39 Cb -0.00 0.36 -0.07 0.00 1.00 0.00 0.00 33.01 34.30 1qo6 s GLN 39 CO 0.03 -0.51 1.98 -1.21 -2.12 0.00 0.00 175.29 173.46 1qo6 s GLU 40 N 2.77 2.42 0.00 2.91 2.02 -1.26 -2.35 118.70 125.22 1qo6 s GLU 40 Ca 0.12 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1qo6 s GLU 40 Cb -0.14 -5.09 0.00 0.00 0.10 0.00 0.00 34.13 29.00 1qo6 s GLU 40 CO -0.19 -3.69 0.00 2.41 0.02 0.00 0.00 175.26 173.82 1qo6 n THR 41 N 7.96 0.00 -3.20 3.63 -1.04 0.74 -4.36 114.28 118.01 1qo6 n THR 41 Ca 0.42 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.32 1qo6 n THR 41 Cb 0.47 -0.07 0.01 0.00 -1.82 0.00 0.00 70.33 68.91 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n ALA 42 N 0.62 -2.30 -0.34 2.41 0.00 -1.22 -4.72 120.51 114.97 1qo6 n ALA 42 Ca 0.00 0.20 0.17 0.00 0.00 0.00 0.00 53.44 53.82 1qo6 n ALA 42 Cb 0.00 -1.17 0.33 0.00 0.00 0.00 0.00 19.45 18.61 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qo6 n VAL 43 N 0.77 -0.41 0.00 0.00 0.24 -1.26 -4.91 118.33 112.75 1qo6 n VAL 43 Ca -0.02 2.13 0.00 0.00 -2.04 0.00 0.00 64.34 64.42 1qo6 n VAL 43 Cb 0.49 -3.17 0.00 0.00 -1.47 0.00 0.00 33.84 29.69 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1qo6 n THR 44 N -5.43 0.00 0.00 3.34 -1.04 -1.26 -4.76 114.28 105.13 1qo6 n THR 44 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1qo6 n THR 44 Cb 0.83 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n GLN 45 N -1.99 0.00 -0.52 -2.82 1.13 -1.26 -5.05 117.38 106.86 1qo6 n GLN 45 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1qo6 n GLN 45 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1qo6 n THR 46 N -0.51 -1.63 0.00 5.09 -2.24 -1.21 -4.97 114.28 108.80 1qo6 n THR 46 Ca 0.00 0.63 0.00 0.00 -2.27 0.00 0.00 64.05 62.41 1qo6 n THR 46 Cb 0.00 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1qo6 n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n TYR 47 N -1.45 0.00 0.00 4.78 0.18 -1.26 -4.84 117.16 114.57 1qo6 n TYR 47 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1qo6 n TYR 47 Cb 0.09 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qo6 n GLY 48 N 1.52 3.22 0.49 -7.48 0.00 -1.26 -3.60 105.19 98.08 1qo6 n GLY 48 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qo6 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qo6 n GLY 49 N 0.00 0.99 0.00 -0.02 0.00 -1.26 -2.00 105.19 102.89 1qo6 n GLY 49 Ca 0.00 -1.15 0.09 0.00 0.00 0.00 0.00 46.02 44.95 1qo6 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 50 N 0.59 0.85 -0.03 1.61 3.02 0.90 -4.41 115.26 117.80 1qo6 n ASN 50 Ca 0.00 -0.86 0.01 0.00 -0.03 0.00 0.00 54.58 53.70 1qo6 n ASN 50 Cb 0.00 1.07 -0.09 0.00 -0.61 0.00 0.00 39.78 40.15 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qo6 n SER 51 N -1.49 2.33 0.00 6.41 2.88 -0.84 -4.64 113.62 118.27 1qo6 n SER 51 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1qo6 n SER 51 Cb 0.30 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1qo6 n ASN 52 N -2.13 -1.20 0.00 -3.46 5.15 -1.21 -3.91 115.26 108.50 1qo6 n ASN 52 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1qo6 n ASN 52 Cb 0.55 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qo6 n GLY 53 N -2.40 1.18 3.30 8.20 0.00 -1.21 -4.03 105.19 110.22 1qo6 n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qo6 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qo6 n GLU 54 N -0.05 -0.27 -2.13 1.61 -0.58 -1.25 -4.71 120.64 113.27 1qo6 n GLU 54 Ca 0.00 -0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.26 1qo6 n GLU 54 Cb 0.00 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.22 1qo6 n GLU 54 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qo6 s PRO 55 N -3.20 3.64 1.26 3.49 0.04 -1.26 -4.92 135.00 134.05 1qo6 s PRO 55 Ca 0.52 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.87 1qo6 s PRO 55 Cb -0.20 -4.07 0.31 0.00 0.04 0.00 0.00 34.50 30.58 1qo6 s PRO 55 CO 0.71 -1.49 0.88 0.00 0.04 0.00 0.00 177.00 177.14 1qo6 n VAL 57 N -5.19 2.12 -3.85 0.00 3.14 0.75 -4.82 118.33 110.49 1qo6 n VAL 57 Ca 0.04 -5.20 -0.21 0.00 -2.96 0.00 0.00 64.34 56.02 1qo6 n VAL 57 Cb 0.56 -1.62 -0.02 0.00 -1.06 0.00 0.00 33.84 31.70 1qo6 n VAL 57 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1qo6 s LEU 58 N -2.76 4.16 0.11 6.55 -0.00 -1.26 -3.79 118.68 121.69 1qo6 s LEU 58 Ca 0.43 -0.04 -0.31 0.00 -0.00 0.00 0.00 54.13 54.21 1qo6 s LEU 58 Cb 0.23 -2.77 -0.07 0.00 -0.00 0.00 0.00 46.19 43.58 1qo6 s LEU 58 CO -0.08 -0.17 1.25 -2.16 -0.00 0.00 0.00 176.35 175.19 1qo6 s PRO 59 N -4.02 4.42 0.51 1.48 0.04 -1.26 -4.96 135.00 131.21 1qo6 s PRO 59 Ca 0.37 1.89 0.07 0.00 0.04 0.00 0.00 61.00 63.36 1qo6 s PRO 59 Cb -0.09 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1qo6 s PRO 59 CO 0.29 -0.26 0.43 -0.59 0.04 0.00 0.00 177.00 176.91 1qo6 s PHE 60 N 0.74 1.93 -0.17 0.56 -0.12 -0.93 -4.85 117.98 115.14 1qo6 s PHE 60 Ca 0.59 -0.73 0.01 0.00 -0.05 0.00 0.00 56.93 56.75 1qo6 s PHE 60 Cb -0.32 -2.01 0.02 0.00 -0.63 0.00 0.00 43.02 40.07 1qo6 s PHE 60 CO 0.32 -0.42 -0.18 0.99 -0.05 0.00 0.00 175.22 175.88 1qo6 s THR 61 N -2.68 1.89 -0.04 -4.49 2.01 -1.26 -1.40 115.64 109.68 1qo6 s THR 61 Ca 0.41 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 1qo6 s THR 61 Cb -0.02 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1qo6 s THR 61 CO 0.25 0.51 0.09 -0.47 -0.69 0.00 0.00 174.62 174.31 1qo6 s TYR 62 N 1.36 -0.09 0.00 4.92 5.04 -0.71 -4.80 117.35 123.06 1qo6 s TYR 62 Ca 0.05 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1qo6 s TYR 62 Cb -0.13 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1qo6 s TYR 62 CO -0.12 -0.07 0.00 -1.71 -1.34 0.00 0.00 175.55 172.31 1qo6 n ASN 63 N 3.30 -1.83 0.00 4.32 2.85 -1.26 -2.22 115.26 120.42 1qo6 n ASN 63 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1qo6 n ASN 63 Cb 0.57 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.20 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 64 N -1.68 0.40 0.00 8.20 0.00 -1.26 -5.07 105.19 105.77 1qo6 n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qo6 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qo6 n ARG 65 N -1.48 2.21 -4.21 1.61 1.85 -0.94 -5.11 116.66 110.59 1qo6 n ARG 65 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qo6 s THR 66 N 0.48 1.10 -0.17 8.89 2.01 -1.26 -1.73 115.64 124.97 1qo6 s THR 66 Ca 0.00 -1.77 -0.04 0.00 0.31 0.00 0.00 61.69 60.19 1qo6 s THR 66 Cb 0.00 -1.53 0.08 0.00 0.01 0.00 0.00 72.50 71.06 1qo6 s THR 66 CO 0.00 -0.57 0.22 -0.36 -0.69 0.00 0.00 174.62 173.22 1qo6 s PHE 67 N -2.59 -0.29 -0.76 4.92 0.40 -0.49 -4.96 117.98 114.21 1qo6 s PHE 67 Ca 0.09 0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.91 1qo6 s PHE 67 Cb -0.02 -0.28 0.29 0.00 0.51 0.00 0.00 43.02 43.52 1qo6 s PHE 67 CO 0.01 -0.50 0.95 0.66 0.70 0.00 0.00 175.22 177.04 1qo6 n TYR 68 N 5.33 0.73 -2.75 0.36 4.02 -1.26 -2.20 117.16 121.39 1qo6 n TYR 68 Ca -0.05 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 1qo6 n TYR 68 Cb 0.50 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1qo6 n SER 69 N 0.22 0.00 -4.77 7.72 7.64 -1.26 -4.66 113.62 118.52 1qo6 n SER 69 Ca 0.10 -0.24 -0.33 0.00 1.01 0.00 0.00 58.87 59.40 1qo6 n SER 69 Cb 0.58 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.82 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qo6 s THR 71 N -2.23 0.00 -0.02 0.00 -1.32 -0.85 -4.83 115.64 106.39 1qo6 s THR 71 Ca 0.68 -1.27 0.24 0.00 -1.21 0.00 0.00 61.69 60.13 1qo6 s THR 71 Cb -0.22 -2.42 0.43 0.00 -1.51 0.00 0.00 72.50 68.78 1qo6 s THR 71 CO 0.40 0.00 1.18 0.35 -2.21 0.00 0.00 174.62 174.33 1qo6 n THR 72 N -0.47 0.26 1.40 5.08 -2.24 -1.26 0.58 114.28 117.63 1qo6 n THR 72 Ca -0.03 -1.27 0.02 0.00 -2.27 0.00 0.00 64.05 60.51 1qo6 n THR 72 Cb 0.61 0.85 0.07 0.00 -2.10 0.00 0.00 70.33 69.76 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qo6 n GLU 73 N 0.31 1.41 -0.74 -0.78 -0.58 -1.26 -3.49 120.64 115.51 1qo6 n GLU 73 Ca 0.08 -0.57 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 1qo6 n GLU 73 Cb 1.09 -1.19 -0.00 0.00 -0.57 0.00 0.00 31.44 30.78 1qo6 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qo6 n GLY 74 N 0.67 0.70 3.96 0.62 0.00 -1.26 -5.01 105.19 104.87 1qo6 n GLY 74 Ca 0.05 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1qo6 n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qo6 s ARG 75 N 0.00 2.54 0.00 1.61 1.81 -1.23 -5.03 118.95 118.65 1qo6 s ARG 75 Ca 0.07 -1.53 0.10 0.00 -1.72 0.00 0.00 55.73 52.65 1qo6 s ARG 75 Cb 0.08 -2.52 0.24 0.00 -0.45 0.00 0.00 34.95 32.29 1qo6 s ARG 75 CO -0.03 -0.42 1.13 1.04 -0.68 0.00 0.00 175.30 176.34 1qo6 n GLN 76 N -1.82 2.20 0.10 3.54 6.02 -1.26 -4.83 117.38 121.32 1qo6 n GLN 76 Ca 0.07 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 1qo6 n GLN 76 Cb 0.61 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.63 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1qo6 n ASP 77 N 0.52 -0.97 0.00 1.08 -0.08 -1.26 -5.08 116.55 110.75 1qo6 n ASP 77 Ca 0.10 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1qo6 n ASP 77 Cb 0.38 1.07 0.00 0.00 2.34 0.00 0.00 41.12 44.91 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qo6 n GLY 78 N 0.31 0.00 3.51 0.27 0.00 -1.26 -5.14 105.19 102.88 1qo6 n GLY 78 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1qo6 n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 79 N 0.00 3.15 0.31 1.61 0.09 -1.26 -5.00 115.29 114.19 1qo6 s HIS 79 Ca 0.00 -0.19 -0.29 0.00 -0.00 0.00 0.00 55.06 54.57 1qo6 s HIS 79 Cb 0.00 -2.30 -0.12 0.00 -0.00 0.00 0.00 32.58 30.15 1qo6 s HIS 79 CO 0.00 -0.28 1.41 1.28 -0.00 0.00 0.00 174.74 177.15 1qo6 n LEU 80 N 4.99 3.79 -3.51 0.89 4.32 -1.25 -4.52 117.00 121.70 1qo6 n LEU 80 Ca -0.15 1.18 -0.12 0.00 -0.02 0.00 0.00 56.01 56.90 1qo6 n LEU 80 Cb 0.52 -1.51 -0.04 0.00 -1.62 0.00 0.00 43.42 40.77 1qo6 n LEU 80 CO 0.32 -0.26 0.32 -1.66 -1.22 0.00 0.00 177.39 174.89 1qo6 s TRP 81 N -0.62 -0.45 0.14 -1.77 1.48 0.20 0.34 118.94 118.26 1qo6 s TRP 81 Ca 0.60 0.31 0.03 0.00 -1.06 0.00 0.00 56.10 55.98 1qo6 s TRP 81 Cb -0.56 0.43 -0.01 0.00 -1.16 0.00 0.00 33.47 32.17 1qo6 s TRP 81 CO 0.57 -0.76 0.13 0.00 -4.06 0.00 0.00 176.95 172.83 1qo6 s SER 83 N -1.95 5.29 -0.00 0.00 1.04 -1.26 0.17 113.70 116.99 1qo6 s SER 83 Ca 0.16 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.38 1qo6 s SER 83 Cb 0.01 -1.28 -0.13 0.00 0.10 0.00 0.00 66.02 64.72 1qo6 s SER 83 CO 0.11 -0.01 0.40 0.35 0.98 0.00 0.00 173.24 175.08 1qo6 n THR 84 N -0.95 0.00 -4.23 2.02 -2.24 -0.33 0.27 114.28 108.82 1qo6 n THR 84 Ca -0.08 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1qo6 n THR 84 Cb 0.57 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.55 1qo6 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qo6 s THR 85 N -2.16 0.99 0.17 4.28 2.01 -1.26 -4.30 115.64 115.37 1qo6 s THR 85 Ca 0.02 -2.02 -0.15 0.00 0.31 0.00 0.00 61.69 59.86 1qo6 s THR 85 Cb 0.08 -1.85 0.08 0.00 0.01 0.00 0.00 72.50 70.82 1qo6 s THR 85 CO 0.44 -0.74 1.70 0.28 -0.69 0.00 0.00 174.62 175.62 1qo6 h SER 86 N 2.81 -0.11 -3.53 3.53 0.02 -1.95 -3.37 113.55 110.96 1qo6 h SER 86 Ca -0.36 0.09 -0.71 0.00 -0.84 0.00 0.00 61.79 59.96 1qo6 h SER 86 Cb 1.19 0.15 -0.24 0.00 0.14 0.00 0.00 62.40 63.63 1qo6 h SER 86 CO 0.64 -0.02 -0.48 0.21 -1.14 0.00 0.00 176.83 176.04 1qo6 s ASN 87 N -5.28 5.82 0.00 3.07 2.47 -1.26 -4.75 114.94 115.02 1qo6 s ASN 87 Ca -0.13 -1.09 0.22 0.00 0.42 0.00 0.00 52.86 52.27 1qo6 s ASN 87 Cb 0.14 -2.05 -0.26 0.00 -1.45 0.00 0.00 41.25 37.63 1qo6 s ASN 87 CO 0.72 -0.44 0.64 0.00 -3.72 0.00 0.00 177.10 174.29 1qo6 n TYR 88 N 5.03 0.12 0.85 0.43 4.19 -1.26 -2.78 117.16 123.75 1qo6 n TYR 88 Ca -0.11 0.04 0.11 0.00 3.31 0.00 0.00 57.90 61.24 1qo6 n TYR 88 Cb 0.45 -0.47 0.50 0.00 0.49 0.00 0.00 39.34 40.31 1qo6 n TYR 88 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1qo6 n GLU 89 N -2.17 0.11 0.00 2.98 -0.58 -1.26 -2.06 120.64 117.65 1qo6 n GLU 89 Ca -0.02 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1qo6 n GLU 89 Cb 0.52 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qo6 n GLN 90 N -1.43 1.88 0.12 3.49 10.64 -1.26 -4.82 117.38 126.00 1qo6 n GLN 90 Ca 0.07 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.03 1qo6 n GLN 90 Cb 0.23 -0.82 -0.15 0.00 -0.86 0.00 0.00 30.24 28.64 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1qo6 h ASP 91 N 0.00 0.65 -5.17 2.61 5.19 -1.61 -3.48 116.42 114.60 1qo6 h ASP 91 Ca 0.00 -0.74 -0.28 0.00 -0.62 0.00 0.00 57.03 55.38 1qo6 h ASP 91 Cb 0.64 -0.21 0.15 0.00 0.18 0.00 0.00 39.33 40.08 1qo6 h ASP 91 CO 0.00 1.59 -0.67 0.00 -3.12 0.00 0.00 179.24 177.04 1qo6 n GLN 92 N -3.62 -5.64 -3.65 3.56 1.13 -0.87 -4.99 117.38 103.30 1qo6 n GLN 92 Ca -0.15 0.74 -0.28 0.00 -1.94 0.00 0.00 57.00 55.37 1qo6 n GLN 92 Cb 1.07 -5.43 -0.11 0.00 0.11 0.00 0.00 30.24 25.89 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1qo6 s LYS 93 N -5.15 1.63 0.15 -1.09 0.00 -1.26 -4.98 119.74 109.03 1qo6 s LYS 93 Ca 0.01 -2.65 0.05 0.00 0.00 0.00 0.00 55.97 53.39 1qo6 s LYS 93 Cb -0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 37.83 35.41 1qo6 s LYS 93 CO 0.64 -1.32 0.09 1.52 0.00 0.00 0.00 175.35 176.27 1qo6 s TYR 94 N -0.58 3.08 0.36 1.78 -0.85 -1.26 -1.18 117.35 118.69 1qo6 s TYR 94 Ca 0.28 -0.02 0.08 0.00 -0.52 0.00 0.00 57.07 56.89 1qo6 s TYR 94 Cb -0.02 -1.51 -0.05 0.00 0.38 0.00 0.00 41.96 40.76 1qo6 s TYR 94 CO -0.17 0.52 0.08 -1.12 -1.52 0.00 0.00 175.55 173.34 1qo6 s SER 95 N -2.88 4.34 0.45 -0.18 0.01 0.45 -0.07 113.70 115.83 1qo6 s SER 95 Ca 0.30 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1qo6 s SER 95 Cb -0.10 -0.57 0.06 0.00 0.21 0.00 0.00 66.02 65.62 1qo6 s SER 95 CO 0.22 -0.32 0.43 0.49 0.41 0.00 0.00 173.24 174.48 1qo6 n PHE 96 N -1.06 -3.00 -3.65 2.43 3.72 -0.85 0.12 117.46 115.17 1qo6 n PHE 96 Ca -0.03 -0.88 -0.05 0.00 -0.05 0.00 0.00 57.45 56.44 1qo6 n PHE 96 Cb 0.63 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.79 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 s THR 98 N 2.18 1.48 0.15 0.00 -1.32 -1.26 -3.93 115.64 112.94 1qo6 s THR 98 Ca -0.08 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.19 1qo6 s THR 98 Cb -0.09 -2.42 0.05 0.00 -1.51 0.00 0.00 72.50 68.53 1qo6 s THR 98 CO -0.18 0.00 1.64 0.44 -2.21 0.00 0.00 174.62 174.31 1qo6 h ASP 99 N -2.80 -0.64 0.00 8.08 3.32 -2.02 -3.45 116.42 118.92 1qo6 h ASP 99 Ca -0.43 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1qo6 h ASP 99 Cb 1.30 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1qo6 h ASP 99 CO 0.30 -0.23 0.00 1.57 -1.72 0.00 0.00 179.24 179.16 1qo6 n HIS 100 N -5.35 0.00 -1.16 4.55 -0.00 -1.26 -5.14 115.22 106.86 1qo6 n HIS 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1qo6 n HIS 100 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59