#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 0.65 3.77 2.72 0.00 -1.26 -5.00 105.19 106.06 1qo6 n GLY 2 Ca 0.00 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 1qo6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 3 N 0.00 2.74 -0.22 1.61 3.76 -1.26 -0.76 115.29 121.16 1qo6 s HIS 3 Ca 0.00 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.35 1qo6 s HIS 3 Cb 0.00 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.22 1qo6 s HIS 3 CO 0.00 -1.76 0.05 0.00 -0.85 0.00 0.00 174.74 172.19 1qo6 s VAL 5 N 1.11 2.52 -0.04 0.00 -7.23 -1.26 0.26 120.40 115.76 1qo6 s VAL 5 Ca 0.04 -0.79 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 1qo6 s VAL 5 Cb -0.14 -2.09 -0.06 0.00 0.56 0.00 0.00 36.38 34.65 1qo6 s VAL 5 CO 0.03 0.50 0.49 0.71 -0.31 0.00 0.00 175.10 176.52 1qo6 h THR 6 N 5.84 0.00 0.00 5.32 1.35 -1.99 -3.47 112.91 119.96 1qo6 h THR 6 Ca -0.43 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1qo6 h THR 6 Cb 1.15 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1qo6 h THR 6 CO 0.62 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.36 1qo6 n ASP 7 N -4.59 0.00 -2.66 5.36 8.00 -1.26 -5.06 116.55 116.34 1qo6 n ASP 7 Ca -0.05 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.42 1qo6 n ASP 7 Cb 0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qo6 n SER 8 N -2.34 -1.10 0.00 -2.24 2.88 -1.26 -5.02 113.62 104.54 1qo6 n SER 8 Ca 0.00 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.94 1qo6 n SER 8 Cb 0.00 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qo6 n GLY 9 N -0.48 0.13 3.21 0.46 0.00 -1.26 -5.05 105.19 102.21 1qo6 n GLY 9 Ca -0.28 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.18 4.58 -1.29 1.61 1.01 -1.26 -5.00 120.40 118.87 1qo6 s VAL 10 Ca 0.00 -2.51 -0.16 0.00 0.00 0.00 0.00 61.98 59.31 1qo6 s VAL 10 Cb 0.00 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.57 1qo6 s VAL 10 CO 0.00 -0.92 1.71 0.52 0.00 0.00 0.00 175.10 176.41 1qo6 n VAL 11 N 4.00 4.01 -0.05 2.92 0.31 -1.26 -3.74 118.33 124.51 1qo6 n VAL 11 Ca 0.06 -4.20 -0.07 0.00 -0.01 0.00 0.00 64.34 60.12 1qo6 n VAL 11 Cb 0.42 -2.41 0.07 0.00 -0.91 0.00 0.00 33.84 31.01 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 7.11 -2.42 -4.12 3.52 4.01 0.74 -4.65 117.16 121.36 1qo6 n TYR 12 Ca 0.45 -0.19 -0.18 0.00 -0.16 0.00 0.00 57.90 57.82 1qo6 n TYR 12 Cb 0.44 -0.29 -0.16 0.00 -0.31 0.00 0.00 39.34 39.02 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 -2.25 0.74 -0.47 7.72 0.01 -1.26 -0.48 113.70 117.70 1qo6 s SER 13 Ca 0.16 -0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1qo6 s SER 13 Cb -0.03 -0.30 -0.16 0.00 0.21 0.00 0.00 66.02 65.74 1qo6 s SER 13 CO 0.13 -0.03 1.14 0.55 0.41 0.00 0.00 173.24 175.44 1qo6 n VAL 14 N 3.76 0.00 0.00 3.43 3.14 0.06 0.26 118.33 128.98 1qo6 n VAL 14 Ca -0.23 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 1qo6 n VAL 14 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 3.18 1.44 2.81 7.55 0.00 0.53 -4.98 105.19 115.71 1qo6 n GLY 15 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qo6 n MET 16 N -0.25 3.27 -0.85 1.61 0.00 0.74 -4.96 117.12 116.68 1qo6 n MET 16 Ca 0.00 -3.90 -0.28 0.00 -0.00 0.00 0.00 57.70 53.52 1qo6 n MET 16 Cb 0.00 -2.29 0.06 0.00 0.00 0.00 0.00 33.22 30.99 1qo6 n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qo6 n GLN 17 N -0.45 -0.49 -0.07 2.12 10.64 -1.26 -4.62 117.38 123.24 1qo6 n GLN 17 Ca 0.50 -0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.52 1qo6 n GLN 17 Cb 0.31 -1.16 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56 1qo6 n TRP 18 N -3.65 -0.05 -3.96 2.61 2.14 0.82 -4.97 117.44 110.39 1qo6 n TRP 18 Ca -0.00 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.48 1qo6 n TRP 18 Cb 0.55 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.96 1qo6 n TRP 18 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1qo6 s LEU 19 N 0.00 1.83 -0.16 5.67 2.96 -1.26 -2.49 118.68 125.23 1qo6 s LEU 19 Ca 0.00 -0.82 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 1qo6 s LEU 19 Cb 0.00 0.69 0.04 0.00 0.50 0.00 0.00 46.19 47.43 1qo6 s LEU 19 CO 0.00 -0.69 0.42 -0.75 -1.32 0.00 0.00 176.35 174.01 1qo6 s LYS 20 N -3.90 0.47 0.02 1.98 2.20 -0.08 -4.89 119.74 115.54 1qo6 s LYS 20 Ca 0.07 0.62 0.08 0.00 -0.36 0.00 0.00 55.97 56.38 1qo6 s LYS 20 Cb 0.06 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1qo6 s LYS 20 CO -0.10 -0.08 -0.24 0.99 -0.36 0.00 0.00 175.35 175.57 1qo6 s THR 21 N 0.45 1.92 -0.25 3.43 2.01 -1.26 -1.54 115.64 120.41 1qo6 s THR 21 Ca -0.02 -1.22 0.13 0.00 0.31 0.00 0.00 61.69 60.89 1qo6 s THR 21 Cb -0.04 -1.64 0.53 0.00 0.01 0.00 0.00 72.50 71.37 1qo6 s THR 21 CO -0.02 0.37 1.48 0.00 -0.69 0.00 0.00 174.62 175.76 1qo6 n GLN 22 N 2.03 2.44 0.00 4.92 1.13 0.17 -5.00 117.38 123.06 1qo6 n GLN 22 Ca -0.17 -3.00 0.00 0.00 -1.94 0.00 0.00 57.00 51.89 1qo6 n GLN 22 Cb 0.52 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qo6 n GLY 23 N -0.80 2.03 0.77 1.08 0.00 -1.26 -4.17 105.19 102.84 1qo6 n GLY 23 Ca 0.29 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 4.05 2.86 -4.02 1.61 2.85 -1.26 -4.97 115.26 116.38 1qo6 n ASN 24 Ca 0.00 -1.85 -0.11 0.00 -0.11 0.00 0.00 54.58 52.51 1qo6 n ASN 24 Cb 0.00 -0.18 -0.11 0.00 1.24 0.00 0.00 39.78 40.72 1qo6 n ASN 24 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1qo6 s LYS 25 N -1.12 0.42 0.18 1.20 0.00 -1.26 -5.16 119.74 114.00 1qo6 s LYS 25 Ca 0.26 -0.69 0.09 0.00 0.00 0.00 0.00 55.97 55.63 1qo6 s LYS 25 Cb 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.86 1qo6 s LYS 25 CO 0.21 -0.00 -0.07 -0.65 0.00 0.00 0.00 175.35 174.83 1qo6 s GLN 26 N -1.56 2.14 -0.30 1.78 -0.21 -1.26 -0.66 119.66 119.59 1qo6 s GLN 26 Ca -0.13 -1.24 -0.13 0.00 0.02 0.00 0.00 55.36 53.88 1qo6 s GLN 26 Cb -0.10 -2.20 0.14 0.00 1.00 0.00 0.00 33.01 31.85 1qo6 s GLN 26 CO -0.00 0.44 0.81 1.41 -2.12 0.00 0.00 175.29 175.82 1qo6 s MET 27 N -2.89 0.48 0.07 2.91 1.75 -0.59 0.25 119.30 121.30 1qo6 s MET 27 Ca 0.26 1.09 0.01 0.00 -1.25 0.00 0.00 55.69 55.80 1qo6 s MET 27 Cb -0.09 0.53 -0.04 0.00 2.84 0.00 0.00 34.83 38.07 1qo6 s MET 27 CO 0.16 -0.15 0.17 -1.17 -0.65 0.00 0.00 175.02 173.39 1qo6 s LEU 28 N 2.37 4.16 0.05 4.11 2.96 0.12 -0.90 118.68 131.54 1qo6 s LEU 28 Ca -0.06 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1qo6 s LEU 28 Cb -0.08 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 1qo6 s LEU 28 CO -0.18 0.16 -0.11 0.00 -1.32 0.00 0.00 176.35 174.90 1qo6 s THR 30 N -1.09 -0.02 -0.47 0.00 2.01 0.29 -0.12 115.64 116.23 1qo6 s THR 30 Ca -0.03 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 1qo6 s THR 30 Cb -0.09 -0.43 0.08 0.00 0.01 0.00 0.00 72.50 72.07 1qo6 s THR 30 CO 0.01 0.04 0.38 0.00 -0.69 0.00 0.00 174.62 174.36 1qo6 n LEU 32 N 5.17 0.00 0.00 0.00 -0.00 -1.23 -0.35 117.00 120.60 1qo6 n LEU 32 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1qo6 n LEU 32 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1qo6 n LEU 32 CO 0.47 0.00 -0.03 0.61 -0.00 0.00 0.00 177.39 178.43 1qo6 n GLY 33 N 3.68 0.00 0.14 1.47 0.00 -1.26 -4.14 105.19 105.08 1qo6 n GLY 33 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.04 0.00 1.61 -1.07 -2.01 -3.04 115.58 111.11 1qo6 h ASN 34 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.35 1qo6 h ASN 34 Cb 0.06 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 1qo6 h ASN 34 CO 0.00 0.67 0.00 0.61 0.07 0.00 0.00 177.43 178.78 1qo6 n GLY 35 N 0.31 -0.42 3.25 9.14 0.00 -1.26 -4.74 105.19 111.47 1qo6 n GLY 35 Ca -0.01 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.53 -0.01 1.61 1.01 -1.26 -3.48 120.40 117.75 1qo6 s VAL 36 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1qo6 s VAL 36 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1qo6 s VAL 36 CO 0.00 0.07 -0.26 -0.55 0.00 0.00 0.00 175.10 174.36 1qo6 s SER 37 N 2.39 3.09 0.01 3.32 0.15 0.33 -4.95 113.70 118.05 1qo6 s SER 37 Ca -0.03 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.14 1qo6 s SER 37 Cb -0.11 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1qo6 s SER 37 CO -0.12 0.31 -0.04 0.00 1.20 0.00 0.00 173.24 174.59 1qo6 s GLN 39 N -0.84 3.55 0.05 0.00 -1.52 0.48 -4.92 119.66 116.47 1qo6 s GLN 39 Ca -0.07 -0.58 -0.21 0.00 -1.95 0.00 0.00 55.36 52.55 1qo6 s GLN 39 Cb -0.06 -3.56 -0.06 0.00 -0.22 0.00 0.00 33.01 29.12 1qo6 s GLN 39 CO -0.00 -0.32 0.62 -1.83 -0.25 0.00 0.00 175.29 173.50 1qo6 s GLU 40 N 1.65 4.31 0.00 2.91 4.04 -1.26 -0.70 118.70 129.65 1qo6 s GLU 40 Ca 0.06 0.80 0.00 0.00 0.04 0.00 0.00 54.97 55.87 1qo6 s GLU 40 Cb -0.16 -3.29 0.00 0.00 0.02 0.00 0.00 34.13 30.70 1qo6 s GLU 40 CO 0.07 0.50 0.00 2.41 -1.84 0.00 0.00 175.26 176.40 1qo6 n THR 41 N 2.18 0.00 -2.20 1.83 -1.04 0.71 -4.43 114.28 111.32 1qo6 n THR 41 Ca -0.08 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.89 1qo6 n THR 41 Cb 0.51 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.40 -3.47 -3.00 2.41 0.00 -1.25 -4.81 120.51 110.79 1qo6 n ALA 42 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 53.44 54.99 1qo6 n ALA 42 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.43 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 1.07 0.00 -3.62 0.00 0.24 -1.26 -5.11 118.33 109.65 1qo6 n VAL 43 Ca -0.27 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.93 1qo6 n VAL 43 Cb 0.41 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 1qo6 n VAL 43 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1qo6 s THR 44 N -1.60 0.00 -0.60 3.34 2.01 -1.26 -4.73 115.64 112.80 1qo6 s THR 44 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1qo6 s THR 44 Cb 0.00 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.71 1qo6 s THR 44 CO 0.00 0.00 0.53 0.00 -0.69 0.00 0.00 174.62 174.46 1qo6 n GLN 45 N 1.87 1.55 -3.51 4.92 0.00 -1.26 -4.92 117.38 116.04 1qo6 n GLN 45 Ca -0.12 -4.13 -0.28 0.00 0.00 0.00 0.00 57.00 52.47 1qo6 n GLN 45 Cb 0.56 -2.03 -0.03 0.00 0.00 0.00 0.00 30.24 28.74 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1qo6 s THR 46 N -1.39 5.11 -0.01 -0.39 -4.23 -1.24 -2.54 115.64 110.95 1qo6 s THR 46 Ca 0.31 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1qo6 s THR 46 Cb 0.05 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 1qo6 s THR 46 CO -0.13 -0.24 -0.00 0.00 -0.54 0.00 0.00 174.62 173.71 1qo6 n TYR 47 N -0.77 0.00 0.00 3.99 0.18 -1.26 -4.66 117.16 114.64 1qo6 n TYR 47 Ca -0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.75 1qo6 n TYR 47 Cb 0.54 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 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 3.25 -0.62 7.00 -7.48 0.00 -1.26 -3.01 105.19 103.07 1qo6 n GLY 48 Ca -0.01 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 2.61 0.03 -0.02 0.00 -1.26 0.31 105.19 106.85 1qo6 n GLY 49 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1qo6 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 50 N 6.91 0.30 0.01 1.61 5.15 0.16 -4.16 115.26 125.24 1qo6 n ASN 50 Ca 0.00 -0.06 0.11 0.00 -0.60 0.00 0.00 54.58 54.03 1qo6 n ASN 50 Cb 0.00 1.52 -0.05 0.00 -0.53 0.00 0.00 39.78 40.71 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1qo6 n SER 51 N -2.23 0.62 -2.23 1.20 7.64 0.83 -4.70 113.62 114.76 1qo6 n SER 51 Ca -0.02 -0.45 -0.14 0.00 1.01 0.00 0.00 58.87 59.27 1qo6 n SER 51 Cb 0.53 1.08 0.04 0.00 -1.01 0.00 0.00 64.21 64.84 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1qo6 n ASN 52 N -1.83 -4.58 -1.33 6.43 2.85 0.15 -4.49 115.26 112.46 1qo6 n ASN 52 Ca 0.02 -0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 1qo6 n ASN 52 Cb 0.42 -3.27 0.00 0.00 1.24 0.00 0.00 39.78 38.17 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 53 N -1.35 -2.53 3.59 8.20 0.00 -0.75 -4.56 105.19 107.78 1qo6 n GLY 53 Ca -0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1qo6 n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qo6 s GLU 54 N -0.11 0.65 -0.95 1.61 -1.05 -1.26 -4.92 118.70 112.66 1qo6 s GLU 54 Ca 0.00 1.20 -0.31 0.00 -0.15 0.00 0.00 54.97 55.70 1qo6 s GLU 54 Cb 0.00 0.20 -0.21 0.00 -0.44 0.00 0.00 34.13 33.68 1qo6 s GLU 54 CO 0.00 -0.16 2.66 -2.30 0.95 0.00 0.00 175.26 176.42 1qo6 n PRO 55 N 4.46 0.06 -0.81 -4.83 -0.02 -1.26 -4.84 135.00 127.76 1qo6 n PRO 55 Ca -0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.96 1qo6 n PRO 55 Cb 0.57 -1.61 0.12 0.00 -0.02 0.00 0.00 33.50 32.56 1qo6 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qo6 n VAL 57 N -3.53 4.02 -3.91 0.00 3.14 0.72 -4.86 118.33 113.91 1qo6 n VAL 57 Ca 0.06 -5.58 -0.21 0.00 -2.96 0.00 0.00 64.34 55.65 1qo6 n VAL 57 Cb 0.54 -2.14 -0.04 0.00 -1.06 0.00 0.00 33.84 31.14 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 -2.47 3.67 0.29 6.55 -0.00 -1.26 -3.98 118.68 121.48 1qo6 s LEU 58 Ca 0.34 -0.41 -0.29 0.00 -0.00 0.00 0.00 54.13 53.76 1qo6 s LEU 58 Cb 0.06 -2.26 -0.10 0.00 -0.00 0.00 0.00 46.19 43.89 1qo6 s LEU 58 CO 0.03 -0.25 1.20 -2.84 -0.00 0.00 0.00 176.35 174.50 1qo6 s PRO 59 N -3.95 4.50 0.47 1.48 0.02 -1.26 -4.99 135.00 131.27 1qo6 s PRO 59 Ca 0.38 1.99 0.05 0.00 0.02 0.00 0.00 61.00 63.44 1qo6 s PRO 59 Cb -0.07 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 1qo6 s PRO 59 CO 0.26 0.00 0.17 -0.59 -0.33 0.00 0.00 177.00 176.51 1qo6 s PHE 60 N -0.97 2.20 -0.18 6.54 -0.12 -0.98 -4.86 117.98 119.61 1qo6 s PHE 60 Ca 0.48 -0.74 0.01 0.00 -0.05 0.00 0.00 56.93 56.62 1qo6 s PHE 60 Cb -0.35 -1.85 0.02 0.00 -0.63 0.00 0.00 43.02 40.21 1qo6 s PHE 60 CO 0.45 0.08 -0.19 0.99 -0.05 0.00 0.00 175.22 176.50 1qo6 s THR 61 N -2.72 2.16 -0.02 -4.49 2.01 -1.26 -1.39 115.64 109.93 1qo6 s THR 61 Ca 0.30 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1qo6 s THR 61 Cb 0.03 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.64 1qo6 s THR 61 CO 0.17 0.52 -0.01 -0.47 -0.69 0.00 0.00 174.62 174.15 1qo6 s TYR 62 N 1.30 0.32 0.00 4.92 5.04 -0.77 -4.77 117.35 123.39 1qo6 s TYR 62 Ca 0.05 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 1qo6 s TYR 62 Cb -0.13 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.81 1qo6 s TYR 62 CO -0.12 -0.11 0.00 -1.71 -1.34 0.00 0.00 175.55 172.27 1qo6 n ASN 63 N 3.90 -4.16 0.00 4.32 2.85 -1.26 -1.70 115.26 119.21 1qo6 n ASN 63 Ca -0.24 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 1qo6 n ASN 63 Cb 0.52 -2.29 0.00 0.00 1.24 0.00 0.00 39.78 39.25 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 -0.69 0.64 0.00 8.20 0.00 -1.26 -5.07 105.19 107.01 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 -1.64 1.69 -4.07 1.61 0.00 -0.69 -5.08 116.66 108.48 1qo6 n ARG 65 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.35 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1qo6 s THR 66 N 1.19 0.38 -0.20 8.89 2.01 -1.26 -1.84 115.64 124.81 1qo6 s THR 66 Ca 0.00 -1.42 -0.04 0.00 0.31 0.00 0.00 61.69 60.54 1qo6 s THR 66 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.59 1qo6 s THR 66 CO 0.00 -0.68 0.15 -0.36 -0.69 0.00 0.00 174.62 173.04 1qo6 s PHE 67 N -2.56 -0.01 -0.67 4.92 0.40 -0.49 -4.94 117.98 114.63 1qo6 s PHE 67 Ca -0.02 -0.14 0.18 0.00 -0.60 0.00 0.00 56.93 56.35 1qo6 s PHE 67 Cb -0.02 -0.57 0.80 0.00 0.51 0.00 0.00 43.02 43.75 1qo6 s PHE 67 CO -0.04 -0.59 1.57 0.66 0.70 0.00 0.00 175.22 177.52 1qo6 n TYR 68 N 5.29 0.47 -2.99 0.36 4.02 -1.26 -2.30 117.16 120.74 1qo6 n TYR 68 Ca -0.06 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1qo6 n TYR 68 Cb 0.49 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 1qo6 n TYR 68 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1qo6 n SER 69 N -1.94 0.00 -4.38 7.72 3.41 -1.26 -4.41 113.62 112.76 1qo6 n SER 69 Ca 0.02 -0.49 -0.28 0.00 -0.26 0.00 0.00 58.87 57.86 1qo6 n SER 69 Cb 0.17 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.38 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qo6 s THR 71 N -2.47 0.00 -0.46 0.00 -1.32 0.65 -4.87 115.64 107.17 1qo6 s THR 71 Ca 0.68 -0.52 0.08 0.00 -1.21 0.00 0.00 61.69 60.72 1qo6 s THR 71 Cb -0.23 -2.26 0.28 0.00 -1.51 0.00 0.00 72.50 68.78 1qo6 s THR 71 CO 0.64 0.00 0.67 0.35 -2.21 0.00 0.00 174.62 174.06 1qo6 n THR 72 N -0.55 0.50 -0.00 5.08 -2.24 -1.26 0.78 114.28 116.58 1qo6 n THR 72 Ca -0.05 -4.58 -0.02 0.00 -2.27 0.00 0.00 64.05 57.13 1qo6 n THR 72 Cb 0.61 -1.53 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 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 0.84 0.12 -1.58 -0.78 -0.58 -1.26 -4.78 120.64 112.62 1qo6 n GLU 73 Ca 0.25 0.05 -0.34 0.00 -0.42 0.00 0.00 57.16 56.69 1qo6 n GLU 73 Cb 0.52 -0.59 -0.04 0.00 -0.57 0.00 0.00 31.44 30.76 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 2.71 4.52 3.20 0.62 0.00 -1.26 -4.87 105.19 110.11 1qo6 n GLY 74 Ca -0.03 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 1qo6 n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qo6 s ARG 75 N 0.06 0.99 -0.04 1.61 1.70 -1.26 -5.06 118.95 116.96 1qo6 s ARG 75 Ca 0.61 -1.37 0.14 0.00 -0.47 0.00 0.00 55.73 54.64 1qo6 s ARG 75 Cb 0.23 0.28 0.25 0.00 -0.57 0.00 0.00 34.95 35.14 1qo6 s ARG 75 CO -0.09 -0.31 1.11 1.04 -1.08 0.00 0.00 175.30 175.97 1qo6 n GLN 76 N -0.13 0.31 0.00 3.89 6.02 -1.26 -4.92 117.38 121.29 1qo6 n GLN 76 Ca -0.06 -1.82 -0.00 0.00 -0.01 0.00 0.00 57.00 55.11 1qo6 n GLN 76 Cb 0.63 -0.53 -0.00 0.00 1.02 0.00 0.00 30.24 31.37 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1qo6 n ASP 77 N -0.07 0.02 0.00 1.08 5.68 -1.26 -5.09 116.55 116.91 1qo6 n ASP 77 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1qo6 n ASP 77 Cb 0.87 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qo6 n GLY 78 N 3.42 0.00 3.17 6.12 0.00 -1.26 -5.15 105.19 111.49 1qo6 n GLY 78 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.53 0.19 1.61 3.76 -1.26 -5.09 115.29 117.03 1qo6 s HIS 79 Ca 0.00 -1.19 -0.32 0.00 -0.15 0.00 0.00 55.06 53.40 1qo6 s HIS 79 Cb 0.00 -1.72 -0.16 0.00 1.11 0.00 0.00 32.58 31.81 1qo6 s HIS 79 CO 0.00 -0.53 1.05 1.28 -0.85 0.00 0.00 174.74 175.69 1qo6 n LEU 80 N 3.91 1.16 -4.07 0.89 4.32 -1.26 -4.76 117.00 117.19 1qo6 n LEU 80 Ca -0.20 1.15 -0.08 0.00 -0.02 0.00 0.00 56.01 56.86 1qo6 n LEU 80 Cb 0.52 -1.18 -0.10 0.00 -1.62 0.00 0.00 43.42 41.03 1qo6 n LEU 80 CO 0.27 -1.56 -0.36 -1.66 -1.22 0.00 0.00 177.39 172.86 1qo6 s TRP 81 N -0.45 0.49 0.03 -1.77 1.48 0.23 0.45 118.94 119.41 1qo6 s TRP 81 Ca 0.70 -0.88 0.00 0.00 -1.06 0.00 0.00 56.10 54.87 1qo6 s TRP 81 Cb -0.85 -0.35 -0.00 0.00 -1.16 0.00 0.00 33.47 31.11 1qo6 s TRP 81 CO 0.54 -0.29 0.04 0.00 -4.06 0.00 0.00 176.95 173.18 1qo6 s SER 83 N -1.23 5.30 0.00 0.00 0.15 -1.26 -1.12 113.70 115.55 1qo6 s SER 83 Ca 0.03 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1qo6 s SER 83 Cb 0.00 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1qo6 s SER 83 CO 0.02 0.04 0.00 0.35 1.20 0.00 0.00 173.24 174.85 1qo6 n THR 84 N -0.60 0.00 -4.43 6.45 -2.24 -0.03 0.26 114.28 113.70 1qo6 n THR 84 Ca -0.08 -0.22 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 1qo6 n THR 84 Cb 0.56 0.72 -0.17 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.35 1.55 0.51 4.28 2.01 -1.25 -4.28 115.64 117.10 1qo6 s THR 85 Ca 0.00 -0.67 0.41 0.00 0.31 0.00 0.00 61.69 61.75 1qo6 s THR 85 Cb 0.00 -1.41 0.63 0.00 0.01 0.00 0.00 72.50 71.72 1qo6 s THR 85 CO 0.00 0.45 1.61 -1.28 -0.69 0.00 0.00 174.62 174.71 1qo6 h SER 86 N 7.48 0.09 -2.53 3.53 0.87 -1.95 -0.70 113.55 120.34 1qo6 h SER 86 Ca -0.32 0.06 -0.73 0.00 -1.23 0.00 0.00 61.79 59.57 1qo6 h SER 86 Cb 1.17 0.06 -0.33 0.00 -0.44 0.00 0.00 62.40 62.86 1qo6 h SER 86 CO 0.50 -0.09 0.31 -3.20 -0.53 0.00 0.00 176.83 173.82 1qo6 n ASN 87 N -4.27 5.68 0.06 6.23 5.15 -1.26 -4.78 115.26 122.07 1qo6 n ASN 87 Ca 0.40 -3.50 0.11 0.00 -0.60 0.00 0.00 54.58 50.98 1qo6 n ASN 87 Cb 1.73 -1.01 0.43 0.00 -0.53 0.00 0.00 39.78 40.40 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qo6 n TYR 88 N 0.77 0.42 0.19 1.20 4.19 -0.27 -0.62 117.16 123.03 1qo6 n TYR 88 Ca 0.31 0.15 0.06 0.00 3.31 0.00 0.00 57.90 61.73 1qo6 n TYR 88 Cb 0.35 -0.75 0.37 0.00 0.49 0.00 0.00 39.34 39.80 1qo6 n TYR 88 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1qo6 h GLU 89 N 0.00 0.00 0.00 2.98 5.08 -1.87 -2.07 114.58 118.70 1qo6 h GLU 89 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1qo6 h GLU 89 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1qo6 h GLU 89 CO 0.00 0.36 -1.30 0.00 -1.00 0.00 0.00 179.01 177.07 1qo6 n GLN 90 N -3.62 2.41 -0.02 2.33 -0.00 -1.06 -4.76 117.38 112.65 1qo6 n GLN 90 Ca -0.01 0.01 -0.11 0.00 -0.00 0.00 0.00 57.00 56.89 1qo6 n GLN 90 Cb 0.48 -1.11 -0.09 0.00 -0.00 0.00 0.00 30.24 29.51 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1qo6 h ASP 91 N 0.00 -0.06 -0.81 2.61 5.19 -0.98 -3.48 116.42 118.89 1qo6 h ASP 91 Ca -0.12 -0.59 -0.08 0.00 -0.62 0.00 0.00 57.03 55.62 1qo6 h ASP 91 Cb 1.24 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1qo6 h ASP 91 CO -0.00 0.65 -0.11 1.67 -3.12 0.00 0.00 179.24 178.33 1qo6 n GLN 92 N -4.78 -0.53 -3.33 3.56 -0.06 -0.78 -5.01 117.38 106.46 1qo6 n GLN 92 Ca -0.08 0.19 -0.44 0.00 -2.00 0.00 0.00 57.00 54.67 1qo6 n GLN 92 Cb 0.32 -3.78 -0.07 0.00 -4.06 0.00 0.00 30.24 22.64 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1qo6 s LYS 93 N -4.38 3.02 0.22 3.69 3.01 -1.26 -5.01 119.74 119.03 1qo6 s LYS 93 Ca 0.02 -1.18 0.10 0.00 -1.01 0.00 0.00 55.97 53.89 1qo6 s LYS 93 Cb -0.01 -4.11 -0.05 0.00 -1.01 0.00 0.00 37.83 32.66 1qo6 s LYS 93 CO 0.02 -1.05 -0.18 1.52 0.51 0.00 0.00 175.35 176.18 1qo6 s TYR 94 N 1.92 1.98 0.10 3.18 -0.85 -1.26 -0.85 117.35 121.57 1qo6 s TYR 94 Ca 0.07 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 1qo6 s TYR 94 Cb -0.22 -0.91 -0.00 0.00 0.38 0.00 0.00 41.96 41.21 1qo6 s TYR 94 CO 0.09 0.49 0.01 0.43 -1.52 0.00 0.00 175.55 175.05 1qo6 n SER 95 N -0.31 1.79 -2.60 -0.18 7.64 -0.28 -0.12 113.62 119.57 1qo6 n SER 95 Ca -0.08 -1.49 -0.06 0.00 1.01 0.00 0.00 58.87 58.24 1qo6 n SER 95 Cb 0.59 0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qo6 n PHE 96 N -0.25 -0.42 -3.67 1.43 3.72 -1.26 -1.95 117.46 115.06 1qo6 n PHE 96 Ca -0.03 -0.53 -0.09 0.00 -0.05 0.00 0.00 57.45 56.75 1qo6 n PHE 96 Cb 0.14 -0.08 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 n THR 98 N 4.44 0.00 0.00 0.00 5.66 -1.05 -4.02 114.28 119.31 1qo6 n THR 98 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1qo6 n THR 98 Cb 0.56 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1qo6 n THR 98 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1qo6 n ASP 99 N -0.94 0.00 0.07 1.09 8.00 -1.26 -3.58 116.55 119.93 1qo6 n ASP 99 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1qo6 n ASP 99 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1qo6 n HIS 100 N 0.00 -2.67 -0.04 1.24 -0.00 -1.26 -5.09 115.22 107.41 1qo6 n HIS 100 Ca 0.00 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.68 1qo6 n HIS 100 Cb 0.00 1.49 0.00 0.00 -0.12 0.00 0.00 29.99 31.36 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05