#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 -0.96 3.68 2.72 0.00 -1.26 -5.05 105.19 104.32 1qo6 n GLY 2 Ca 0.00 0.53 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 1.70 -4.32 1.61 8.25 -1.26 -1.82 115.22 119.38 1qo6 n HIS 3 Ca 0.00 0.46 -0.24 0.00 -0.26 0.00 0.00 57.72 57.68 1qo6 n HIS 3 Cb 0.00 -2.28 -0.08 0.00 1.12 0.00 0.00 29.99 28.74 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 n VAL 5 N -0.66 0.00 0.00 0.00 0.24 -1.26 0.25 118.33 116.90 1qo6 n VAL 5 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1qo6 n VAL 5 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1qo6 n VAL 5 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1qo6 n THR 6 N 0.00 0.00 -1.31 3.34 -2.24 -1.26 -4.91 114.28 107.89 1qo6 n THR 6 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qo6 n THR 6 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1qo6 n THR 6 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qo6 n ASP 7 N -1.92 0.00 -0.09 3.42 9.92 -1.26 -4.98 116.55 121.64 1qo6 n ASP 7 Ca 0.00 -1.24 -0.01 0.00 -0.53 0.00 0.00 54.79 53.01 1qo6 n ASP 7 Cb 0.00 -0.05 -0.01 0.00 -0.64 0.00 0.00 41.12 40.43 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qo6 n SER 8 N 0.00 -3.35 -0.06 -2.24 2.88 -1.26 -4.87 113.62 104.72 1qo6 n SER 8 Ca 0.00 0.03 -0.07 0.00 -1.33 0.00 0.00 58.87 57.50 1qo6 n SER 8 Cb 0.55 -0.96 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 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 -2.58 -0.30 2.97 0.46 0.00 -1.26 -4.84 105.19 99.64 1qo6 n GLY 9 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.24 3.21 -1.13 1.61 1.01 -1.26 -5.02 120.40 116.58 1qo6 s VAL 10 Ca -0.12 -3.84 -0.23 0.00 0.00 0.00 0.00 61.98 57.79 1qo6 s VAL 10 Cb 0.04 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 1qo6 s VAL 10 CO 0.33 -0.96 1.95 -0.69 0.00 0.00 0.00 175.10 175.73 1qo6 s VAL 11 N -1.02 3.50 0.12 2.92 1.01 -1.26 -4.37 120.40 121.30 1qo6 s VAL 11 Ca 0.23 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1qo6 s VAL 11 Cb -0.12 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.86 1qo6 s VAL 11 CO -0.11 -0.94 0.08 -1.22 0.00 0.00 0.00 175.10 172.92 1qo6 n TYR 12 N 14.56 -2.52 -4.01 5.22 4.01 0.70 -4.77 117.16 130.36 1qo6 n TYR 12 Ca 0.44 -0.08 -0.11 0.00 -0.16 0.00 0.00 57.90 57.99 1qo6 n TYR 12 Cb 0.47 -0.10 -0.11 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.96 0.46 -0.80 7.72 0.01 -1.26 -1.75 113.70 116.13 1qo6 s SER 13 Ca 0.06 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1qo6 s SER 13 Cb -0.01 0.07 -0.23 0.00 0.21 0.00 0.00 66.02 66.06 1qo6 s SER 13 CO 0.05 -0.24 2.03 0.55 0.41 0.00 0.00 173.24 176.03 1qo6 n VAL 14 N 1.67 0.00 0.00 3.43 3.14 -0.76 0.13 118.33 125.94 1qo6 n VAL 14 Ca -0.23 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 1qo6 n VAL 14 Cb 0.55 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 5.69 1.84 2.84 7.55 0.00 -0.83 -5.02 105.19 117.27 1qo6 n GLY 15 Ca 0.50 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.62 2.98 -0.94 1.61 0.00 0.34 -5.02 117.12 115.47 1qo6 n MET 16 Ca 0.00 -3.73 -0.37 0.00 -0.00 0.00 0.00 57.70 53.60 1qo6 n MET 16 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 33.22 30.89 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 -0.51 0.00 -2.63 2.12 6.02 -1.26 -4.75 117.38 116.37 1qo6 n GLN 17 Ca 0.51 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.44 1qo6 n GLN 17 Cb 0.30 -0.94 -0.02 0.00 1.02 0.00 0.00 30.24 30.59 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 0.94 -0.15 -4.80 1.08 2.14 -0.39 -5.03 117.44 111.23 1qo6 n TRP 18 Ca 0.13 -0.76 -0.27 0.00 2.07 0.00 0.00 57.50 58.66 1qo6 n TRP 18 Cb 0.05 0.06 -0.17 0.00 -0.81 0.00 0.00 31.31 30.44 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 1.81 -0.01 5.67 2.01 -1.26 -2.31 118.68 124.58 1qo6 s LEU 19 Ca 0.10 -0.38 0.08 0.00 0.01 0.00 0.00 54.13 53.94 1qo6 s LEU 19 Cb 0.00 -1.01 -0.02 0.00 0.01 0.00 0.00 46.19 45.17 1qo6 s LEU 19 CO 0.07 0.08 -0.25 -1.59 1.01 0.00 0.00 176.35 175.67 1qo6 s LYS 20 N 0.49 1.98 0.00 1.70 -2.85 0.14 -4.92 119.74 116.28 1qo6 s LYS 20 Ca -0.14 -0.93 0.01 0.00 -1.00 0.00 0.00 55.97 53.90 1qo6 s LYS 20 Cb -0.16 -1.96 -0.00 0.00 -2.06 0.00 0.00 37.83 33.65 1qo6 s LYS 20 CO 0.05 0.53 0.23 2.41 0.10 0.00 0.00 175.35 178.67 1qo6 n THR 21 N 2.34 0.00 -2.47 3.79 -1.04 -1.26 0.15 114.28 115.79 1qo6 n THR 21 Ca -0.16 -0.49 -0.39 0.00 -2.04 0.00 0.00 64.05 60.98 1qo6 n THR 21 Cb 0.51 1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 70.00 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 -0.71 3.44 0.00 -2.82 -1.52 -1.26 -3.58 119.66 113.20 1qo6 s GLN 22 Ca 0.01 -1.08 0.00 0.00 -1.95 0.00 0.00 55.36 52.34 1qo6 s GLN 22 Cb 0.01 -5.33 0.00 0.00 -0.22 0.00 0.00 33.01 27.47 1qo6 s GLN 22 CO 0.03 -2.45 0.00 0.41 -0.25 0.00 0.00 175.29 173.03 1qo6 n GLY 23 N 6.71 0.23 0.00 3.09 0.00 -1.26 -5.04 105.19 108.92 1qo6 n GLY 23 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.00 0.00 1.61 2.85 -1.23 -5.10 115.26 113.39 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qo6 n ASN 24 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1qo6 n LYS 25 N 0.00 0.00 -3.90 1.20 0.00 -1.26 -5.13 118.16 109.07 1qo6 n LYS 25 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 1qo6 n LYS 25 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 34.86 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1qo6 s GLN 26 N 0.30 0.53 0.05 -1.58 -0.21 -1.26 -4.50 119.66 112.98 1qo6 s GLN 26 Ca 0.00 0.07 0.06 0.00 0.02 0.00 0.00 55.36 55.51 1qo6 s GLN 26 Cb 0.00 -0.77 -0.03 0.00 1.00 0.00 0.00 33.01 33.22 1qo6 s GLN 26 CO 0.00 -0.20 -0.18 1.41 -2.12 0.00 0.00 175.29 174.20 1qo6 s MET 27 N 1.46 1.15 -0.26 2.91 1.75 0.40 -0.54 119.30 126.17 1qo6 s MET 27 Ca -0.03 -0.91 -0.11 0.00 -1.25 0.00 0.00 55.69 53.40 1qo6 s MET 27 Cb -0.13 -1.24 -0.05 0.00 2.84 0.00 0.00 34.83 36.25 1qo6 s MET 27 CO -0.03 0.31 0.17 -1.17 -0.65 0.00 0.00 175.02 173.65 1qo6 s LEU 28 N -1.30 4.01 -0.06 4.11 2.96 0.57 0.25 118.68 129.22 1qo6 s LEU 28 Ca 0.05 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1qo6 s LEU 28 Cb -0.09 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1qo6 s LEU 28 CO 0.02 -0.01 -0.11 0.00 -1.32 0.00 0.00 176.35 174.93 1qo6 s THR 30 N -0.69 -0.10 -0.50 0.00 2.01 0.46 -1.26 115.64 115.55 1qo6 s THR 30 Ca 0.10 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 1qo6 s THR 30 Cb -0.11 -0.24 0.07 0.00 0.01 0.00 0.00 72.50 72.23 1qo6 s THR 30 CO 0.01 0.10 0.51 0.00 -0.69 0.00 0.00 174.62 174.55 1qo6 n LEU 32 N 5.66 0.00 0.00 0.00 -0.00 -1.16 -1.96 117.00 119.53 1qo6 n LEU 32 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 1qo6 n LEU 32 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1qo6 n LEU 32 CO 0.51 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.51 1qo6 n GLY 33 N 3.33 0.00 0.19 1.47 0.00 -1.26 -4.52 105.19 104.40 1qo6 n GLY 33 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 1.61 -1.07 -1.97 -3.44 115.58 110.71 1qo6 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1qo6 h ASN 34 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1qo6 h ASN 34 CO 0.00 0.32 0.00 0.61 0.07 0.00 0.00 177.43 178.43 1qo6 n GLY 35 N 0.53 -0.00 2.85 9.14 0.00 -1.26 -5.10 105.19 111.34 1qo6 n GLY 35 Ca 0.01 0.48 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 2.54 -0.37 -0.04 1.61 1.01 -1.26 -3.01 120.40 120.88 1qo6 s VAL 36 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1qo6 s VAL 36 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1qo6 s VAL 36 CO 0.00 -0.06 0.12 -0.55 0.00 0.00 0.00 175.10 174.61 1qo6 s SER 37 N 2.37 6.01 0.09 3.32 0.15 0.20 -4.87 113.70 120.97 1qo6 s SER 37 Ca 0.05 0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.99 1qo6 s SER 37 Cb -0.14 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1qo6 s SER 37 CO -0.11 0.31 -0.05 0.00 1.20 0.00 0.00 173.24 174.59 1qo6 s GLN 39 N -3.86 2.59 0.20 0.00 0.74 0.63 -4.92 119.66 115.04 1qo6 s GLN 39 Ca 0.12 -0.67 -0.30 0.00 0.05 0.00 0.00 55.36 54.55 1qo6 s GLN 39 Cb 0.06 -2.29 -0.09 0.00 1.10 0.00 0.00 33.01 31.78 1qo6 s GLN 39 CO -0.05 -0.22 1.42 -1.83 -0.55 0.00 0.00 175.29 174.06 1qo6 s GLU 40 N 1.39 4.30 0.00 1.67 -1.05 -1.26 -0.32 118.70 123.43 1qo6 s GLU 40 Ca 0.05 2.21 0.00 0.00 -0.15 0.00 0.00 54.97 57.08 1qo6 s GLU 40 Cb -0.13 -3.16 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 1qo6 s GLU 40 CO -0.11 -0.41 0.00 2.41 0.95 0.00 0.00 175.26 178.10 1qo6 n THR 41 N 2.89 0.00 0.00 1.83 -1.04 0.30 -4.81 114.28 113.45 1qo6 n THR 41 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1qo6 n THR 41 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 0.00 0.00 -0.62 2.41 0.00 -1.22 -4.73 120.51 116.35 1qo6 n ALA 42 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1qo6 n ALA 42 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1qo6 n ALA 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qo6 s VAL 43 N 0.00 1.55 0.00 0.00 -7.23 -1.26 -5.01 120.40 108.44 1qo6 s VAL 43 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1qo6 s VAL 43 Cb 0.00 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1qo6 s VAL 43 CO 0.00 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.14 1qo6 n THR 44 N -5.18 0.00 -1.79 5.32 -2.24 -1.26 -5.10 114.28 104.03 1qo6 n THR 44 Ca 0.09 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 1qo6 n THR 44 Cb 0.58 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.85 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qo6 s GLN 45 N 0.45 2.88 -0.08 -0.78 -1.52 -1.26 -5.01 119.66 114.34 1qo6 s GLN 45 Ca 0.00 1.33 0.02 0.00 -1.95 0.00 0.00 55.36 54.77 1qo6 s GLN 45 Cb 0.00 -1.97 0.01 0.00 -0.22 0.00 0.00 33.01 30.84 1qo6 s GLN 45 CO 0.00 -1.18 -0.13 0.95 -0.25 0.00 0.00 175.29 174.68 1qo6 s THR 46 N -2.40 1.24 0.22 -0.19 -4.23 -1.26 -3.87 115.64 105.15 1qo6 s THR 46 Ca 0.66 -0.52 -0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1qo6 s THR 46 Cb -0.19 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 1qo6 s THR 46 CO 0.41 0.38 0.25 -0.72 -0.54 0.00 0.00 174.62 174.41 1qo6 s TYR 47 N 0.77 0.92 0.00 3.99 -0.85 -1.19 -4.28 117.35 116.71 1qo6 s TYR 47 Ca -0.12 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.25 1qo6 s TYR 47 Cb -0.16 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.87 1qo6 s TYR 47 CO 0.02 -0.77 0.00 0.41 -1.52 0.00 0.00 175.55 173.69 1qo6 n GLY 48 N -0.32 1.42 7.00 5.49 0.00 0.43 0.47 105.19 119.68 1qo6 n GLY 48 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.68 1.07 -0.02 0.00 -1.26 -0.71 105.19 103.59 1qo6 n GLY 49 Ca 0.00 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.41 3.11 0.00 1.61 4.13 0.13 -3.90 115.26 118.93 1qo6 n ASN 50 Ca 0.00 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.21 1qo6 n ASN 50 Cb 0.00 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qo6 n SER 51 N 1.09 0.47 0.00 6.41 7.64 0.25 -4.38 113.62 125.11 1qo6 n SER 51 Ca 0.19 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1qo6 n SER 51 Cb 0.51 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.11 0.00 0.00 6.43 2.85 0.11 -2.87 115.26 121.67 1qo6 n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qo6 n ASN 52 Cb 0.08 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.10 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 0.00 0.00 3.90 8.20 0.00 -1.26 -0.43 105.19 115.60 1qo6 n GLY 53 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1qo6 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qo6 s GLU 54 N 0.00 2.71 -0.09 1.61 0.41 -1.14 -4.84 118.70 117.36 1qo6 s GLU 54 Ca 0.00 0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.52 1qo6 s GLU 54 Cb 0.00 -2.08 -0.05 0.00 -1.78 0.00 0.00 34.13 30.21 1qo6 s GLU 54 CO 0.00 -1.05 1.75 -1.25 -0.49 0.00 0.00 175.26 174.23 1qo6 s PRO 55 N -5.29 3.99 1.03 0.39 0.04 -1.26 -4.93 135.00 128.96 1qo6 s PRO 55 Ca 0.58 2.13 -0.14 0.00 0.04 0.00 0.00 61.00 63.61 1qo6 s PRO 55 Cb -0.11 -4.06 0.18 0.00 0.04 0.00 0.00 34.50 30.55 1qo6 s PRO 55 CO 0.49 -1.08 0.37 0.00 0.04 0.00 0.00 177.00 176.82 1qo6 n VAL 57 N -4.48 -0.20 -3.71 0.00 3.14 0.73 -4.78 118.33 109.04 1qo6 n VAL 57 Ca 0.06 -3.82 -0.21 0.00 -2.96 0.00 0.00 64.34 57.41 1qo6 n VAL 57 Cb 0.35 -0.07 -0.03 0.00 -1.06 0.00 0.00 33.84 33.03 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 -2.19 3.54 0.08 6.55 -0.00 -1.26 -3.95 118.68 121.45 1qo6 s LEU 58 Ca 0.36 -0.57 -0.31 0.00 -0.00 0.00 0.00 54.13 53.61 1qo6 s LEU 58 Cb 0.31 -2.18 -0.08 0.00 -0.00 0.00 0.00 46.19 44.24 1qo6 s LEU 58 CO -0.08 -0.46 1.59 -2.16 -0.00 0.00 0.00 176.35 175.23 1qo6 s PRO 59 N -4.05 4.22 0.52 1.48 0.04 -1.26 -5.01 135.00 130.94 1qo6 s PRO 59 Ca 0.44 2.27 0.06 0.00 0.04 0.00 0.00 61.00 63.81 1qo6 s PRO 59 Cb -0.05 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 31.03 1qo6 s PRO 59 CO 0.27 -0.67 0.44 -0.59 0.04 0.00 0.00 177.00 176.49 1qo6 s PHE 60 N 2.24 1.83 -0.12 0.56 -0.12 -0.96 -4.89 117.98 116.52 1qo6 s PHE 60 Ca 0.71 -0.75 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 1qo6 s PHE 60 Cb -0.39 -2.00 0.01 0.00 -0.63 0.00 0.00 43.02 40.01 1qo6 s PHE 60 CO 0.31 -0.47 -0.17 0.99 -0.05 0.00 0.00 175.22 175.82 1qo6 s THR 61 N -2.70 1.67 -0.04 -4.49 2.01 -1.26 -2.16 115.64 108.67 1qo6 s THR 61 Ca 0.40 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1qo6 s THR 61 Cb -0.03 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 71.02 1qo6 s THR 61 CO 0.25 0.47 0.08 -0.47 -0.69 0.00 0.00 174.62 174.26 1qo6 s TYR 62 N 0.90 -0.05 0.00 4.92 5.04 -0.82 -4.80 117.35 122.53 1qo6 s TYR 62 Ca -0.08 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1qo6 s TYR 62 Cb -0.15 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 41.98 1qo6 s TYR 62 CO -0.01 -0.13 0.00 0.09 -1.34 0.00 0.00 175.55 174.16 1qo6 n ASN 63 N 4.23 -4.18 0.00 4.32 3.02 -1.26 -1.66 115.26 119.72 1qo6 n ASN 63 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1qo6 n ASN 63 Cb 0.51 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qo6 n GLY 64 N -0.62 0.44 0.00 7.41 0.00 -1.26 -5.08 105.19 106.07 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 -1.54 2.24 -3.92 1.61 0.00 -0.67 -5.09 116.66 109.28 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 1.01 0.08 0.00 8.89 2.01 -1.26 -1.94 115.64 124.44 1qo6 s THR 66 Ca 0.00 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1qo6 s THR 66 Cb 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1qo6 s THR 66 CO 0.00 -0.37 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.15 1qo6 s PHE 67 N -1.17 0.40 -1.30 4.92 0.40 -0.92 -4.96 117.98 115.35 1qo6 s PHE 67 Ca -0.13 -0.13 0.12 0.00 -0.60 0.00 0.00 56.93 56.19 1qo6 s PHE 67 Cb -0.08 -0.26 0.47 0.00 0.51 0.00 0.00 43.02 43.67 1qo6 s PHE 67 CO 0.00 -0.02 1.32 0.66 0.70 0.00 0.00 175.22 177.88 1qo6 n TYR 68 N 2.76 0.96 -3.26 0.36 4.01 -1.26 -2.27 117.16 118.46 1qo6 n TYR 68 Ca -0.14 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 1qo6 n TYR 68 Cb 0.58 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qo6 n SER 69 N 0.65 0.00 -4.60 7.72 2.88 -1.26 -4.70 113.62 114.31 1qo6 n SER 69 Ca 0.17 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.37 1qo6 n SER 69 Cb 0.61 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.20 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qo6 s THR 71 N -2.25 0.00 -0.39 0.00 -1.32 0.26 -4.74 115.64 107.20 1qo6 s THR 71 Ca 0.68 -1.14 0.03 0.00 -1.21 0.00 0.00 61.69 60.05 1qo6 s THR 71 Cb -0.27 -2.90 0.16 0.00 -1.51 0.00 0.00 72.50 67.98 1qo6 s THR 71 CO 0.56 0.00 0.32 0.42 -2.21 0.00 0.00 174.62 173.71 1qo6 s THR 72 N -2.33 0.17 0.00 5.08 -4.23 -1.26 0.14 115.64 113.22 1qo6 s THR 72 Ca 0.19 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1qo6 s THR 72 Cb -0.04 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1qo6 s THR 72 CO 0.14 -1.07 0.47 -0.62 -0.54 0.00 0.00 174.62 173.00 1qo6 n GLU 73 N 3.31 0.00 -0.17 3.99 -0.58 -1.26 -4.84 120.64 121.09 1qo6 n GLU 73 Ca 0.23 -0.47 0.02 0.00 -0.42 0.00 0.00 57.16 56.51 1qo6 n GLU 73 Cb 0.45 -0.45 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 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 0.00 0.41 3.45 0.62 0.00 -1.26 -5.05 105.19 103.37 1qo6 n GLY 74 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.63 1.71 -0.08 1.61 3.03 -1.26 -5.06 118.95 118.26 1qo6 s ARG 75 Ca 0.05 -1.98 0.12 0.00 2.03 0.00 0.00 55.73 55.96 1qo6 s ARG 75 Cb 0.04 -0.71 0.19 0.00 -1.03 0.00 0.00 34.95 33.44 1qo6 s ARG 75 CO 0.00 -0.29 1.10 0.00 -1.13 0.00 0.00 175.30 174.98 1qo6 n GLN 76 N -0.73 1.87 0.00 3.89 10.64 -1.26 -4.83 117.38 126.96 1qo6 n GLN 76 Ca -0.03 -2.20 0.00 0.00 -1.83 0.00 0.00 57.00 52.94 1qo6 n GLN 76 Cb 0.66 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.72 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1qo6 n ASP 77 N -1.11 0.00 0.00 2.61 -0.08 -1.26 -5.09 116.55 111.63 1qo6 n ASP 77 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1qo6 n ASP 77 Cb 0.50 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.83 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 2.90 0.00 3.35 0.27 0.00 -1.26 -5.15 105.19 105.30 1qo6 n GLY 78 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 2.95 0.43 1.61 0.09 -1.26 -5.08 115.29 114.04 1qo6 s HIS 79 Ca 0.00 -0.80 -0.26 0.00 -0.00 0.00 0.00 55.06 54.00 1qo6 s HIS 79 Cb 0.00 -2.06 -0.09 0.00 -0.00 0.00 0.00 32.58 30.43 1qo6 s HIS 79 CO 0.00 -0.44 1.41 1.28 -0.00 0.00 0.00 174.74 177.00 1qo6 n LEU 80 N 4.49 4.84 -3.81 0.89 4.32 -1.23 -4.67 117.00 121.84 1qo6 n LEU 80 Ca -0.18 1.14 -0.13 0.00 -0.02 0.00 0.00 56.01 56.83 1qo6 n LEU 80 Cb 0.51 -1.59 -0.12 0.00 -1.62 0.00 0.00 43.42 40.60 1qo6 n LEU 80 CO 0.30 -0.18 -0.17 -1.66 -1.22 0.00 0.00 177.39 174.45 1qo6 s TRP 81 N -1.18 -0.19 0.41 -1.77 1.48 0.37 0.26 118.94 118.32 1qo6 s TRP 81 Ca 0.59 0.47 0.07 0.00 -1.06 0.00 0.00 56.10 56.18 1qo6 s TRP 81 Cb -0.47 0.06 -0.07 0.00 -1.16 0.00 0.00 33.47 31.83 1qo6 s TRP 81 CO 0.59 -0.10 0.09 0.00 -4.06 0.00 0.00 176.95 173.47 1qo6 s SER 83 N -3.80 6.28 -0.00 0.00 1.04 -1.26 -1.42 113.70 114.54 1qo6 s SER 83 Ca 0.38 0.34 0.10 0.00 0.48 0.00 0.00 55.95 57.25 1qo6 s SER 83 Cb 0.07 -1.96 -0.11 0.00 0.10 0.00 0.00 66.02 64.12 1qo6 s SER 83 CO 0.20 0.29 0.41 0.35 0.98 0.00 0.00 173.24 175.47 1qo6 n THR 84 N 1.18 0.00 -4.67 2.02 -2.24 -0.81 0.26 114.28 110.02 1qo6 n THR 84 Ca -0.13 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 1qo6 n THR 84 Cb 0.53 0.99 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.93 1.22 0.56 4.28 2.01 -1.25 -4.60 115.64 115.93 1qo6 s THR 85 Ca 0.04 -0.57 0.35 0.00 0.31 0.00 0.00 61.69 61.82 1qo6 s THR 85 Cb 0.07 -1.09 0.52 0.00 0.01 0.00 0.00 72.50 72.02 1qo6 s THR 85 CO 0.40 0.37 1.75 0.77 -0.69 0.00 0.00 174.62 177.22 1qo6 h SER 86 N 6.62 0.00 -2.81 3.53 4.64 -1.93 -2.54 113.55 121.05 1qo6 h SER 86 Ca -0.31 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.38 1qo6 h SER 86 Cb 1.18 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.87 1qo6 h SER 86 CO 0.48 0.00 -0.47 -3.20 -0.87 0.00 0.00 176.83 172.77 1qo6 n ASN 87 N -3.98 3.56 0.09 4.97 5.15 -1.26 -4.84 115.26 118.95 1qo6 n ASN 87 Ca 0.23 -3.29 0.11 0.00 -0.60 0.00 0.00 54.58 51.03 1qo6 n ASN 87 Cb 1.22 -0.79 0.45 0.00 -0.53 0.00 0.00 39.78 40.13 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 1.60 0.59 0.75 1.20 4.19 -0.96 -0.78 117.16 123.74 1qo6 n TYR 88 Ca 0.24 0.21 0.13 0.00 3.31 0.00 0.00 57.90 61.79 1qo6 n TYR 88 Cb 0.37 -0.84 0.50 0.00 0.49 0.00 0.00 39.34 39.86 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 -2.02 0.11 0.00 2.98 1.02 -1.26 -2.45 120.64 119.02 1qo6 n GLU 89 Ca 0.04 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1qo6 n GLU 89 Cb 0.27 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qo6 n GLN 90 N -1.83 2.89 -0.06 3.49 -0.00 -0.98 -4.85 117.38 116.03 1qo6 n GLN 90 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.97 1qo6 n GLN 90 Cb 0.34 -0.88 -0.07 0.00 -0.00 0.00 0.00 30.24 29.63 1qo6 n GLN 90 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1qo6 h ASP 91 N 0.00 0.00 -0.01 2.61 3.58 -1.07 -3.48 116.42 118.04 1qo6 h ASP 91 Ca 0.00 -0.52 -0.00 0.00 0.42 0.00 0.00 57.03 56.92 1qo6 h ASP 91 Cb 0.76 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 1qo6 h ASP 91 CO 0.00 0.83 -0.00 1.67 -2.88 0.00 0.00 179.24 178.86 1qo6 n GLN 92 N -4.66 -0.02 -3.17 0.28 7.27 -1.02 -4.99 117.38 111.05 1qo6 n GLN 92 Ca -0.08 0.38 -0.46 0.00 0.07 0.00 0.00 57.00 56.92 1qo6 n GLN 92 Cb 0.30 -3.77 -0.03 0.00 2.41 0.00 0.00 30.24 29.15 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1qo6 s LYS 93 N -1.52 3.42 0.43 3.69 3.01 -1.26 -4.62 119.74 122.88 1qo6 s LYS 93 Ca 0.00 -1.95 0.01 0.00 -1.01 0.00 0.00 55.97 53.02 1qo6 s LYS 93 Cb 0.00 -4.50 -0.00 0.00 -1.01 0.00 0.00 37.83 32.32 1qo6 s LYS 93 CO 0.00 -1.48 0.04 2.48 0.51 0.00 0.00 175.35 176.90 1qo6 n TYR 94 N 5.29 0.80 -4.08 3.18 4.11 -1.26 -1.93 117.16 123.28 1qo6 n TYR 94 Ca 0.08 -2.27 -0.14 0.00 -0.00 0.00 0.00 57.90 55.57 1qo6 n TYR 94 Cb 0.46 -0.22 -0.04 0.00 -0.00 0.00 0.00 39.34 39.54 1qo6 n TYR 94 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1qo6 n SER 95 N -1.36 -0.97 -3.08 9.48 2.88 -0.50 0.88 113.62 120.95 1qo6 n SER 95 Ca -0.15 -2.70 -0.10 0.00 -1.33 0.00 0.00 58.87 54.59 1qo6 n SER 95 Cb 0.57 1.91 0.00 0.00 -0.75 0.00 0.00 64.21 65.94 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1qo6 n PHE 96 N -0.51 -1.17 -3.67 0.66 3.72 0.18 -1.52 117.46 115.14 1qo6 n PHE 96 Ca 0.03 -0.89 -0.08 0.00 -0.05 0.00 0.00 57.45 56.45 1qo6 n PHE 96 Cb 0.51 -0.17 -0.09 0.00 -0.94 0.00 0.00 39.48 38.78 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 h THR 98 N 5.71 0.44 0.00 0.00 1.35 -1.85 -3.25 112.91 115.32 1qo6 h THR 98 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1qo6 h THR 98 Cb 1.16 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1qo6 h THR 98 CO 0.20 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.80 1qo6 n ASP 99 N -3.74 0.00 0.08 5.36 2.03 -1.26 -4.17 116.55 114.85 1qo6 n ASP 99 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1qo6 n ASP 99 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1qo6 n HIS 100 N 0.00 -2.79 1.30 -0.67 -0.00 -1.26 -5.03 115.22 106.78 1qo6 n HIS 100 Ca 0.00 0.53 0.13 0.00 0.46 0.00 0.00 57.72 58.84 1qo6 n HIS 100 Cb 0.00 1.56 0.36 0.00 -0.12 0.00 0.00 29.99 31.79 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43