#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 1.42 3.73 2.98 0.00 -1.26 -5.08 105.19 106.98 1qo6 n GLY 2 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 0.10 2.93 -0.24 1.61 3.76 -1.26 -0.47 115.29 121.72 1qo6 s HIS 3 Ca 0.07 0.67 -0.07 0.00 -0.15 0.00 0.00 55.06 55.58 1qo6 s HIS 3 Cb 0.33 -4.00 -0.03 0.00 1.11 0.00 0.00 32.58 29.99 1qo6 s HIS 3 CO -0.10 -3.55 0.06 0.00 -0.85 0.00 0.00 174.74 170.30 1qo6 s VAL 5 N 1.48 3.94 0.00 0.00 1.01 -1.26 0.28 120.40 125.84 1qo6 s VAL 5 Ca 0.06 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1qo6 s VAL 5 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1qo6 s VAL 5 CO 0.03 -0.32 0.00 1.07 0.00 0.00 0.00 175.10 175.89 1qo6 n THR 6 N -1.13 0.00 0.00 3.92 5.66 -1.24 -4.96 114.28 116.53 1qo6 n THR 6 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1qo6 n THR 6 Cb 0.59 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qo6 n ASP 7 N -0.95 0.00 -2.91 1.09 2.03 -1.26 -5.03 116.55 109.51 1qo6 n ASP 7 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1qo6 n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1qo6 s SER 8 N -1.00 -1.30 0.00 1.67 0.15 -1.26 -4.98 113.70 106.97 1qo6 s SER 8 Ca 0.00 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1qo6 s SER 8 Cb 0.00 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 1qo6 s SER 8 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1qo6 n GLY 9 N 3.49 2.90 3.56 9.45 0.00 -1.26 -5.08 105.19 118.25 1qo6 n GLY 9 Ca 0.14 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 3.81 -1.10 1.61 1.01 -1.26 -4.93 120.40 119.54 1qo6 s VAL 10 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1qo6 s VAL 10 Cb 0.00 -4.96 0.21 0.00 0.00 0.00 0.00 36.38 31.62 1qo6 s VAL 10 CO 0.00 -1.87 1.21 -0.69 0.00 0.00 0.00 175.10 173.75 1qo6 s VAL 11 N 5.47 5.39 0.48 2.92 1.01 -1.26 -3.71 120.40 130.71 1qo6 s VAL 11 Ca 0.41 -2.75 -0.08 0.00 0.00 0.00 0.00 61.98 59.56 1qo6 s VAL 11 Cb -0.04 -4.74 0.13 0.00 0.00 0.00 0.00 36.38 31.72 1qo6 s VAL 11 CO 0.03 -1.40 0.28 -1.22 0.00 0.00 0.00 175.10 172.79 1qo6 n TYR 12 N 4.59 -2.56 -3.76 5.22 4.01 0.81 -4.61 117.16 120.85 1qo6 n TYR 12 Ca 0.28 -0.26 -0.17 0.00 -0.16 0.00 0.00 57.90 57.59 1qo6 n TYR 12 Cb 0.43 -0.42 -0.17 0.00 -0.31 0.00 0.00 39.34 38.87 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 -2.34 0.56 -0.17 7.72 0.01 -1.26 -0.04 113.70 118.18 1qo6 s SER 13 Ca 0.22 0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 1qo6 s SER 13 Cb -0.04 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 66.01 1qo6 s SER 13 CO 0.18 -0.17 0.47 0.55 0.41 0.00 0.00 173.24 174.68 1qo6 n VAL 14 N 4.62 0.00 0.00 3.43 3.14 0.38 -0.74 118.33 129.16 1qo6 n VAL 14 Ca -0.18 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1qo6 n VAL 14 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 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 1.41 1.30 2.95 7.55 0.00 -0.30 -4.97 105.19 113.13 1qo6 n GLY 15 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qo6 s MET 16 N 0.00 1.52 0.91 1.61 0.00 0.08 -5.00 119.30 118.42 1qo6 s MET 16 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 55.69 54.21 1qo6 s MET 16 Cb 0.00 -2.74 0.15 0.00 0.00 0.00 0.00 34.83 32.24 1qo6 s MET 16 CO 0.00 -0.77 1.20 -0.65 0.00 0.00 0.00 175.02 174.80 1qo6 s GLN 17 N 1.23 1.11 0.02 4.11 -0.21 -1.26 -4.08 119.66 120.58 1qo6 s GLN 17 Ca 0.02 0.01 -0.03 0.00 0.02 0.00 0.00 55.36 55.38 1qo6 s GLN 17 Cb -0.19 -1.86 0.01 0.00 1.00 0.00 0.00 33.01 31.97 1qo6 s GLN 17 CO -0.10 -2.17 0.13 -2.67 -2.12 0.00 0.00 175.29 168.37 1qo6 n TRP 18 N -3.69 -0.64 -3.90 0.91 2.14 -0.02 -4.98 117.44 107.27 1qo6 n TRP 18 Ca 0.10 -0.15 -0.35 0.00 2.07 0.00 0.00 57.50 59.17 1qo6 n TRP 18 Cb 0.60 0.07 -0.14 0.00 -0.81 0.00 0.00 31.31 31.04 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 3.90 0.27 5.67 2.01 -1.26 -2.38 118.68 126.89 1qo6 s LEU 19 Ca 0.03 -1.25 0.05 0.00 0.01 0.00 0.00 54.13 52.97 1qo6 s LEU 19 Cb -0.00 -1.72 -0.02 0.00 0.01 0.00 0.00 46.19 44.45 1qo6 s LEU 19 CO 0.01 -0.26 0.41 -1.59 1.01 0.00 0.00 176.35 175.92 1qo6 s LYS 20 N 1.27 3.36 -0.05 1.70 -2.85 0.11 -4.94 119.74 118.33 1qo6 s LYS 20 Ca -0.05 -0.78 0.03 0.00 -1.00 0.00 0.00 55.97 54.17 1qo6 s LYS 20 Cb -0.20 -2.85 0.00 0.00 -2.06 0.00 0.00 37.83 32.73 1qo6 s LYS 20 CO -0.01 0.31 -0.14 0.95 0.10 0.00 0.00 175.35 176.56 1qo6 s THR 21 N -2.06 1.24 -2.15 3.79 -4.23 -1.26 -1.04 115.64 109.93 1qo6 s THR 21 Ca 0.37 -0.58 0.19 0.00 -1.18 0.00 0.00 61.69 60.49 1qo6 s THR 21 Cb -0.09 -1.09 0.47 0.00 1.34 0.00 0.00 72.50 73.13 1qo6 s THR 21 CO 0.30 0.37 1.59 0.00 -0.54 0.00 0.00 174.62 176.34 1qo6 n GLN 22 N 3.41 1.43 0.00 3.99 1.13 -1.13 -4.89 117.38 121.31 1qo6 n GLN 22 Ca -0.20 -0.64 0.00 0.00 -1.94 0.00 0.00 57.00 54.22 1qo6 n GLN 22 Cb 0.53 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.54 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 0.98 2.80 0.00 1.08 0.00 -1.26 -4.69 105.19 104.10 1qo6 n GLY 23 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1qo6 n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qo6 n ASN 24 N 0.24 4.66 -0.05 1.61 6.94 -1.26 -5.10 115.26 122.30 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1qo6 n ASN 24 Cb 0.00 0.65 0.00 0.00 -2.36 0.00 0.00 39.78 38.07 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1qo6 n LYS 25 N -1.70 1.45 -4.66 -3.83 0.00 -1.26 -5.18 118.16 102.97 1qo6 n LYS 25 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1qo6 n LYS 25 Cb 0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.22 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 0.90 2.03 -0.27 -1.58 -0.21 -1.26 -2.82 119.66 116.45 1qo6 s GLN 26 Ca 0.00 -2.21 -0.27 0.00 0.02 0.00 0.00 55.36 52.90 1qo6 s GLN 26 Cb 0.00 -1.52 0.17 0.00 1.00 0.00 0.00 33.01 32.66 1qo6 s GLN 26 CO 0.00 -0.19 1.27 1.41 -2.12 0.00 0.00 175.29 175.66 1qo6 s MET 27 N -3.78 0.23 -0.22 2.91 1.75 -0.20 -3.51 119.30 116.48 1qo6 s MET 27 Ca 0.24 0.19 -0.20 0.00 -1.25 0.00 0.00 55.69 54.67 1qo6 s MET 27 Cb 0.07 0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.82 1qo6 s MET 27 CO 0.12 -0.05 0.58 -1.17 -0.65 0.00 0.00 175.02 173.85 1qo6 s LEU 28 N -0.31 4.12 -0.05 4.11 2.96 0.51 0.05 118.68 130.07 1qo6 s LEU 28 Ca 0.06 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 54.75 1qo6 s LEU 28 Cb -0.04 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 1qo6 s LEU 28 CO -0.10 -0.26 -0.25 0.00 -1.32 0.00 0.00 176.35 174.43 1qo6 s THR 30 N -0.19 1.08 -0.50 0.00 2.01 -0.16 -0.84 115.64 117.04 1qo6 s THR 30 Ca -0.02 -1.50 -0.03 0.00 0.31 0.00 0.00 61.69 60.45 1qo6 s THR 30 Cb -0.13 -1.25 0.13 0.00 0.01 0.00 0.00 72.50 71.26 1qo6 s THR 30 CO 0.03 -0.38 0.30 0.00 -0.69 0.00 0.00 174.62 173.88 1qo6 n LEU 32 N 4.12 0.00 0.08 0.00 -0.00 0.01 -1.15 117.00 120.06 1qo6 n LEU 32 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.93 1qo6 n LEU 32 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.78 1qo6 n LEU 32 CO 0.33 -0.04 0.20 1.23 -0.00 0.00 0.00 177.39 179.12 1qo6 h GLY 33 N 0.00 0.21 2.00 1.47 0.00 -1.98 -3.22 103.07 101.56 1qo6 h GLY 33 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1qo6 h GLY 33 CO 0.00 0.36 -0.30 3.45 0.00 0.00 0.00 176.54 180.05 1qo6 h ASN 34 N 0.10 0.00 0.00 0.19 -1.07 -2.02 -3.49 115.58 109.29 1qo6 h ASN 34 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.32 1qo6 h ASN 34 Cb 1.59 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.84 1qo6 h ASN 34 CO 0.14 0.30 0.00 0.61 0.07 0.00 0.00 177.43 178.55 1qo6 n GLY 35 N 0.66 -0.56 2.76 9.14 0.00 -1.22 -5.11 105.19 110.87 1qo6 n GLY 35 Ca 0.01 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 -0.05 1.61 1.01 -1.26 -0.81 120.40 120.85 1qo6 s VAL 36 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1qo6 s VAL 36 Cb 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.30 1qo6 s VAL 36 CO 0.00 0.11 -0.06 -0.55 0.00 0.00 0.00 175.10 174.60 1qo6 s SER 37 N 1.20 1.18 -0.00 3.32 0.15 0.16 -4.96 113.70 114.75 1qo6 s SER 37 Ca -0.07 -0.16 0.08 0.00 0.70 0.00 0.00 55.95 56.49 1qo6 s SER 37 Cb -0.13 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1qo6 s SER 37 CO -0.03 -0.05 -0.24 0.00 1.20 0.00 0.00 173.24 174.12 1qo6 s GLN 39 N -0.85 1.94 0.04 0.00 -0.44 0.47 -4.91 119.66 115.91 1qo6 s GLN 39 Ca 0.11 -0.96 -0.17 0.00 -2.50 0.00 0.00 55.36 51.84 1qo6 s GLN 39 Cb -0.10 -1.95 -0.09 0.00 -1.64 0.00 0.00 33.01 29.23 1qo6 s GLN 39 CO 0.00 0.52 0.40 0.39 0.50 0.00 0.00 175.29 177.11 1qo6 n GLU 40 N 2.24 0.00 0.33 1.67 1.02 -1.26 -0.36 120.64 124.27 1qo6 n GLU 40 Ca -0.16 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.13 1qo6 n GLU 40 Cb 0.52 -0.61 0.79 0.00 -0.02 0.00 0.00 31.44 32.12 1qo6 n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qo6 h THR 41 N 1.04 0.02 0.00 2.62 1.03 -1.83 -3.38 112.91 112.40 1qo6 h THR 41 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1qo6 h THR 41 Cb 0.68 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.41 1qo6 h THR 41 CO 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.80 1qo6 n ALA 42 N -1.90 0.00 -0.38 0.00 0.00 -1.26 -4.82 120.51 112.15 1qo6 n ALA 42 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1qo6 n ALA 42 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.45 0.00 -3.58 0.00 0.24 -1.26 -5.00 118.33 106.28 1qo6 n VAL 43 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1qo6 n VAL 43 Cb 0.00 -0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.96 0.00 0.31 3.34 2.01 -1.26 -5.01 115.64 114.06 1qo6 s THR 44 Ca 0.00 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1qo6 s THR 44 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1qo6 s THR 44 CO 0.00 0.00 0.29 -1.10 -0.69 0.00 0.00 174.62 173.12 1qo6 s GLN 45 N -2.23 1.68 0.04 4.92 -1.52 -1.26 -5.08 119.66 116.21 1qo6 s GLN 45 Ca 0.07 -1.89 -0.23 0.00 -1.95 0.00 0.00 55.36 51.36 1qo6 s GLN 45 Cb -0.01 0.34 0.05 0.00 -0.22 0.00 0.00 33.01 33.17 1qo6 s GLN 45 CO -0.05 -0.63 0.54 0.95 -0.25 0.00 0.00 175.29 175.85 1qo6 s THR 46 N -3.51 0.03 -0.29 -0.19 -4.23 -1.21 -3.45 115.64 102.77 1qo6 s THR 46 Ca 0.38 -0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.54 1qo6 s THR 46 Cb 0.03 -0.97 0.14 0.00 1.34 0.00 0.00 72.50 73.04 1qo6 s THR 46 CO 0.23 -0.11 0.89 -0.72 -0.54 0.00 0.00 174.62 174.37 1qo6 s TYR 47 N -2.31 -0.79 0.00 3.99 1.13 -0.95 -4.78 117.35 113.64 1qo6 s TYR 47 Ca -0.06 1.48 0.00 0.00 -1.41 0.00 0.00 57.07 57.08 1qo6 s TYR 47 Cb -0.01 0.47 0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1qo6 s TYR 47 CO -0.01 -0.39 0.00 0.41 -2.51 0.00 0.00 175.55 173.05 1qo6 n GLY 48 N 4.44 1.18 7.00 5.49 0.00 0.42 -4.46 105.19 119.26 1qo6 n GLY 48 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 3.65 0.02 -0.02 0.00 -1.26 0.25 105.19 107.83 1qo6 n GLY 49 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 5.24 2.58 -0.15 1.61 2.85 -1.18 -4.60 115.26 121.61 1qo6 n ASN 50 Ca 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.56 1qo6 n ASN 50 Cb 0.00 1.15 0.13 0.00 1.24 0.00 0.00 39.78 42.30 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qo6 n SER 51 N -2.09 2.06 0.00 1.20 2.88 -1.08 -4.89 113.62 111.70 1qo6 n SER 51 Ca -0.08 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1qo6 n SER 51 Cb 0.52 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.26 0.00 0.00 -3.46 5.15 0.68 -3.94 115.26 112.43 1qo6 n ASN 52 Ca 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1qo6 n ASN 52 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 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 0.00 -1.06 3.71 8.20 0.00 -1.26 0.16 105.19 114.95 1qo6 n GLY 53 Ca 0.00 0.64 -0.25 0.00 0.00 0.00 0.00 46.02 46.41 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 2.20 -0.22 1.61 0.41 -1.25 -4.93 118.70 116.52 1qo6 s GLU 54 Ca 0.00 -1.80 -0.33 0.00 -0.41 0.00 0.00 54.97 52.44 1qo6 s GLU 54 Cb 0.00 -1.98 -0.09 0.00 -1.78 0.00 0.00 34.13 30.27 1qo6 s GLU 54 CO 0.00 -0.03 2.10 -2.30 -0.49 0.00 0.00 175.26 174.54 1qo6 n PRO 55 N -1.15 1.72 -0.28 0.39 -0.02 -1.26 -4.88 135.00 129.51 1qo6 n PRO 55 Ca -0.02 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1qo6 n PRO 55 Cb 0.64 -2.77 0.13 0.00 -0.02 0.00 0.00 33.50 31.48 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 -4.15 0.02 -3.78 0.00 3.14 0.74 -4.76 118.33 109.54 1qo6 n VAL 57 Ca 0.06 -2.32 -0.21 0.00 -2.96 0.00 0.00 64.34 58.91 1qo6 n VAL 57 Cb 0.27 0.97 -0.03 0.00 -1.06 0.00 0.00 33.84 33.98 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 -2.49 3.63 0.28 6.55 -0.00 -1.26 -4.07 118.68 121.33 1qo6 s LEU 58 Ca 0.27 -0.47 -0.29 0.00 -0.00 0.00 0.00 54.13 53.64 1qo6 s LEU 58 Cb 0.33 -2.26 -0.10 0.00 -0.00 0.00 0.00 46.19 44.16 1qo6 s LEU 58 CO -0.06 -0.36 1.26 -2.16 -0.00 0.00 0.00 176.35 175.04 1qo6 s PRO 59 N -4.01 4.43 0.13 1.48 0.04 -1.26 -4.97 135.00 130.84 1qo6 s PRO 59 Ca 0.41 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.54 1qo6 s PRO 59 Cb -0.06 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.35 1qo6 s PRO 59 CO 0.27 -0.12 0.06 1.97 0.04 0.00 0.00 177.00 179.22 1qo6 n PHE 60 N 1.40 -0.62 -4.24 0.56 1.16 -0.98 -4.86 117.46 109.88 1qo6 n PHE 60 Ca 0.01 -0.59 -0.28 0.00 -1.87 0.00 0.00 57.45 54.72 1qo6 n PHE 60 Cb 0.43 -0.10 -0.17 0.00 -1.61 0.00 0.00 39.48 38.03 1qo6 n PHE 60 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1qo6 s THR 61 N -1.00 1.36 -0.06 1.97 2.01 -1.26 -2.20 115.64 116.47 1qo6 s THR 61 Ca 0.04 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 1qo6 s THR 61 Cb -0.00 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.26 1qo6 s THR 61 CO 0.03 0.42 0.15 -0.47 -0.69 0.00 0.00 174.62 174.05 1qo6 s TYR 62 N 1.24 -0.16 0.00 4.92 5.04 -0.85 -4.72 117.35 122.82 1qo6 s TYR 62 Ca -0.02 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1qo6 s TYR 62 Cb -0.14 -0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1qo6 s TYR 62 CO -0.05 -0.14 0.00 -1.71 -1.34 0.00 0.00 175.55 172.31 1qo6 n ASN 63 N 3.90 -3.54 0.00 4.32 2.85 -1.26 -1.86 115.26 119.68 1qo6 n ASN 63 Ca -0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 1qo6 n ASN 63 Cb 0.54 -2.14 0.00 0.00 1.24 0.00 0.00 39.78 39.41 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 -0.92 0.50 0.00 8.20 0.00 -1.26 -5.08 105.19 106.63 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 -1.53 3.35 -3.98 1.61 1.85 -0.77 -5.11 116.66 112.08 1qo6 n ARG 65 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 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 1.20 0.11 -0.12 8.89 2.01 -1.26 -2.00 115.64 124.48 1qo6 s THR 66 Ca 0.00 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1qo6 s THR 66 Cb 0.00 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.27 1qo6 s THR 66 CO 0.00 -0.51 0.10 -0.36 -0.69 0.00 0.00 174.62 173.16 1qo6 s PHE 67 N -1.52 0.05 -1.01 4.92 0.40 -0.93 -4.95 117.98 114.94 1qo6 s PHE 67 Ca -0.15 0.06 0.12 0.00 -0.60 0.00 0.00 56.93 56.35 1qo6 s PHE 67 Cb -0.09 -0.53 0.52 0.00 0.51 0.00 0.00 43.02 43.43 1qo6 s PHE 67 CO -0.01 -0.38 1.39 0.66 0.70 0.00 0.00 175.22 177.57 1qo6 n TYR 68 N 5.30 0.00 -3.77 0.36 4.02 -1.26 -2.32 117.16 119.48 1qo6 n TYR 68 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.79 1qo6 n TYR 68 Cb 0.49 -0.50 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.50 -0.37 -3.93 7.72 7.64 -1.26 -4.34 113.62 117.59 1qo6 n SER 69 Ca 0.03 -1.57 -0.28 0.00 1.01 0.00 0.00 58.87 58.06 1qo6 n SER 69 Cb 0.14 0.70 0.23 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.21 0.00 -0.10 0.00 -1.32 -0.79 -4.84 115.64 106.38 1qo6 s THR 71 Ca 0.59 -0.45 0.14 0.00 -1.21 0.00 0.00 61.69 60.75 1qo6 s THR 71 Cb -0.15 -2.02 0.27 0.00 -1.51 0.00 0.00 72.50 69.10 1qo6 s THR 71 CO 0.57 0.00 1.13 0.35 -2.21 0.00 0.00 174.62 174.47 1qo6 n THR 72 N -0.49 1.20 1.31 5.08 -2.24 -1.26 -0.67 114.28 117.22 1qo6 n THR 72 Ca -0.07 -1.75 0.14 0.00 -2.27 0.00 0.00 64.05 60.10 1qo6 n THR 72 Cb 0.62 0.14 0.63 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.71 0.43 0.00 -0.78 -0.58 -1.26 -3.31 120.64 114.43 1qo6 n GLU 73 Ca 0.11 -0.10 0.12 0.00 -0.42 0.00 0.00 57.16 56.88 1qo6 n GLU 73 Cb 0.75 -1.50 0.20 0.00 -0.57 0.00 0.00 31.44 30.32 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 1.34 0.04 1.76 0.62 0.00 -1.26 -4.97 105.19 102.72 1qo6 n GLY 74 Ca 0.12 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 1qo6 n GLY 74 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qo6 n ARG 75 N 0.10 0.37 -0.07 1.61 1.85 -1.21 -5.07 116.66 114.25 1qo6 n ARG 75 Ca 0.12 -1.82 0.02 0.00 -1.00 0.00 0.00 57.85 55.17 1qo6 n ARG 75 Cb 0.44 1.35 0.03 0.00 -1.05 0.00 0.00 32.46 33.22 1qo6 n ARG 75 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1qo6 n GLN 76 N -0.39 1.58 -0.07 2.89 6.02 -1.26 -4.83 117.38 121.32 1qo6 n GLN 76 Ca 0.02 -1.38 -0.06 0.00 -0.01 0.00 0.00 57.00 55.57 1qo6 n GLN 76 Cb 0.33 -0.90 -0.02 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.48 1.70 0.00 1.08 -0.08 -1.26 -5.05 116.55 112.45 1qo6 n ASP 77 Ca 0.03 0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1qo6 n ASP 77 Cb 0.43 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.12 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 1.55 0.84 3.44 0.27 0.00 -1.26 -5.14 105.19 104.88 1qo6 n GLY 78 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.84 3.07 0.38 1.61 3.76 -1.26 -5.02 115.29 117.00 1qo6 s HIS 79 Ca 0.00 -0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 54.16 1qo6 s HIS 79 Cb 0.00 -2.19 -0.11 0.00 1.11 0.00 0.00 32.58 31.40 1qo6 s HIS 79 CO 0.00 -0.34 1.46 -0.51 -0.85 0.00 0.00 174.74 174.50 1qo6 s LEU 80 N 1.44 4.30 -0.09 0.89 1.02 -1.26 -4.53 118.68 120.45 1qo6 s LEU 80 Ca 0.05 2.99 -0.10 0.00 0.02 0.00 0.00 54.13 57.10 1qo6 s LEU 80 Cb -0.15 -3.70 0.03 0.00 0.02 0.00 0.00 46.19 42.38 1qo6 s LEU 80 CO 0.02 -0.88 0.27 -1.66 0.02 0.00 0.00 176.35 174.13 1qo6 s TRP 81 N -1.14 -0.27 0.37 0.29 1.48 0.15 0.83 118.94 120.66 1qo6 s TRP 81 Ca 0.53 0.64 0.08 0.00 -1.06 0.00 0.00 56.10 56.30 1qo6 s TRP 81 Cb -0.45 0.09 -0.06 0.00 -1.16 0.00 0.00 33.47 31.89 1qo6 s TRP 81 CO 0.61 -0.18 0.08 0.00 -4.06 0.00 0.00 176.95 173.40 1qo6 s SER 83 N -3.79 6.68 -0.01 0.00 1.04 -1.26 -0.29 113.70 116.07 1qo6 s SER 83 Ca 0.37 0.91 0.11 0.00 0.48 0.00 0.00 55.95 57.82 1qo6 s SER 83 Cb 0.02 -2.22 -0.14 0.00 0.10 0.00 0.00 66.02 63.78 1qo6 s SER 83 CO 0.20 0.04 0.38 0.35 0.98 0.00 0.00 173.24 175.19 1qo6 n THR 84 N 0.38 0.00 -4.30 2.02 -2.24 -0.84 0.26 114.28 109.56 1qo6 n THR 84 Ca -0.03 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.31 1qo6 n THR 84 Cb 0.52 0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.35 0.66 0.29 4.28 2.01 -1.26 -4.69 115.64 114.57 1qo6 s THR 85 Ca 0.01 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1qo6 s THR 85 Cb 0.08 -0.60 0.31 0.00 0.01 0.00 0.00 72.50 72.30 1qo6 s THR 85 CO 0.46 0.22 1.64 -1.28 -0.69 0.00 0.00 174.62 174.97 1qo6 h SER 86 N 6.47 -0.06 -3.03 3.53 0.87 -1.93 -2.95 113.55 116.44 1qo6 h SER 86 Ca -0.33 0.20 -0.76 0.00 -1.23 0.00 0.00 61.79 59.66 1qo6 h SER 86 Cb 1.17 0.29 -0.23 0.00 -0.44 0.00 0.00 62.40 63.19 1qo6 h SER 86 CO 0.49 -0.17 0.71 0.21 -0.53 0.00 0.00 176.83 177.54 1qo6 s ASN 87 N -5.09 7.05 0.27 6.23 2.47 -1.26 -4.70 114.94 119.92 1qo6 s ASN 87 Ca -0.12 -3.04 0.14 0.00 0.42 0.00 0.00 52.86 50.25 1qo6 s ASN 87 Cb 0.26 -2.29 0.18 0.00 -1.45 0.00 0.00 41.25 37.94 1qo6 s ASN 87 CO 0.77 -0.58 1.49 0.22 -3.72 0.00 0.00 177.10 175.28 1qo6 h TYR 88 N 7.31 0.00 0.00 0.43 5.03 -1.82 -0.64 116.97 127.28 1qo6 h TYR 88 Ca 0.20 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1qo6 h TYR 88 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.20 1qo6 h TYR 88 CO 0.97 0.59 0.00 0.39 -1.32 0.00 0.00 178.16 178.79 1qo6 n GLU 89 N -3.37 0.14 -0.07 1.82 1.02 -1.26 0.46 120.64 119.39 1qo6 n GLU 89 Ca 0.01 0.36 -0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1qo6 n GLU 89 Cb 0.72 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qo6 n GLN 90 N -2.02 0.30 0.04 3.49 -0.06 -1.14 -4.75 117.38 113.24 1qo6 n GLN 90 Ca 0.03 0.12 -0.20 0.00 -2.00 0.00 0.00 57.00 54.94 1qo6 n GLN 90 Cb 0.22 -1.05 -0.15 0.00 -4.06 0.00 0.00 30.24 25.20 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1qo6 h ASP 91 N -0.38 0.46 -0.19 1.69 5.19 -1.16 -3.48 116.42 118.55 1qo6 h ASP 91 Ca -0.34 -0.94 -0.08 0.00 -0.62 0.00 0.00 57.03 55.05 1qo6 h ASP 91 Cb 1.34 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 1qo6 h ASP 91 CO -0.17 1.43 -0.07 0.00 -3.12 0.00 0.00 179.24 177.30 1qo6 n GLN 92 N -4.10 -0.71 -2.75 3.56 3.00 0.17 -4.97 117.38 111.58 1qo6 n GLN 92 Ca -0.15 0.48 -0.43 0.00 -0.01 0.00 0.00 57.00 56.89 1qo6 n GLN 92 Cb 0.84 -4.20 -0.03 0.00 0.00 0.00 0.00 30.24 26.84 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1qo6 s LYS 93 N -1.69 4.21 0.05 -1.09 3.01 -1.26 -5.02 119.74 117.94 1qo6 s LYS 93 Ca 0.00 1.16 -0.05 0.00 -1.01 0.00 0.00 55.97 56.07 1qo6 s LYS 93 Cb 0.00 -3.65 -0.02 0.00 -1.01 0.00 0.00 37.83 33.15 1qo6 s LYS 93 CO 0.00 -0.61 0.09 1.52 0.51 0.00 0.00 175.35 176.86 1qo6 s TYR 94 N 3.10 0.26 0.10 3.18 -0.85 -1.26 -1.99 117.35 119.89 1qo6 s TYR 94 Ca 0.40 -0.65 0.07 0.00 -0.52 0.00 0.00 57.07 56.37 1qo6 s TYR 94 Cb -0.15 -0.18 -0.03 0.00 0.38 0.00 0.00 41.96 41.98 1qo6 s TYR 94 CO 0.07 -0.41 -0.17 -1.54 -1.52 0.00 0.00 175.55 171.99 1qo6 s SER 95 N -2.49 2.10 1.10 -0.18 1.04 0.60 -2.65 113.70 113.23 1qo6 s SER 95 Ca 0.00 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.56 1qo6 s SER 95 Cb 0.02 -0.09 0.24 0.00 0.10 0.00 0.00 66.02 66.30 1qo6 s SER 95 CO -0.07 -0.05 1.15 0.49 0.98 0.00 0.00 173.24 175.74 1qo6 n PHE 96 N 0.97 -3.93 -2.85 5.02 3.72 -1.26 0.21 117.46 119.33 1qo6 n PHE 96 Ca -0.19 -1.03 -0.11 0.00 -0.05 0.00 0.00 57.45 56.08 1qo6 n PHE 96 Cb 0.55 -1.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.10 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 1.75 -0.16 0.00 0.00 5.66 -1.26 -4.48 114.28 115.78 1qo6 n THR 98 Ca 0.13 0.81 0.00 0.00 -3.05 0.00 0.00 64.05 61.94 1qo6 n THR 98 Cb 0.60 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.06 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qo6 n ASP 99 N -3.87 0.00 -0.01 1.09 2.03 -1.26 -4.85 116.55 109.68 1qo6 n ASP 99 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1qo6 n ASP 99 Cb 0.53 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.02 1.25 -0.67 -0.00 -1.26 -5.06 115.22 109.46 1qo6 n HIS 100 Ca 0.00 0.01 0.13 0.00 0.46 0.00 0.00 57.72 58.32 1qo6 n HIS 100 Cb 0.00 -0.02 0.31 0.00 -0.12 0.00 0.00 29.99 30.17 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43