#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 0.04 3.49 2.72 0.00 -1.26 -5.06 105.19 105.12 1qo6 n GLY 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.08 -0.52 -4.37 1.61 8.25 -1.26 -3.95 115.22 112.89 1qo6 n HIS 3 Ca 0.00 0.37 -0.34 0.00 -0.26 0.00 0.00 57.72 57.48 1qo6 n HIS 3 Cb 0.00 -1.95 -0.11 0.00 1.12 0.00 0.00 29.99 29.05 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 -0.31 0.74 0.15 0.00 1.01 -1.26 0.28 120.40 121.00 1qo6 s VAL 5 Ca 0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1qo6 s VAL 5 Cb -0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1qo6 s VAL 5 CO 0.02 0.27 1.80 0.71 0.00 0.00 0.00 175.10 177.91 1qo6 h THR 6 N 6.10 1.08 0.00 3.92 1.35 -1.99 -3.45 112.91 119.92 1qo6 h THR 6 Ca -0.34 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1qo6 h THR 6 Cb 1.16 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1qo6 h THR 6 CO 0.46 0.08 0.00 -0.67 -0.25 0.00 0.00 175.52 175.14 1qo6 n ASP 7 N -4.85 0.00 0.00 5.36 2.03 -1.26 -5.04 116.55 112.78 1qo6 n ASP 7 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qo6 n ASP 7 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1qo6 n SER 8 N -0.35 0.00 0.00 1.67 2.88 -1.26 -5.05 113.62 111.51 1qo6 n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qo6 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.13 2.73 0.46 0.00 -1.26 -5.09 105.19 102.16 1qo6 n GLY 9 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.86 0.67 -1.25 1.61 1.01 -1.26 -5.06 120.40 115.26 1qo6 s VAL 10 Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1qo6 s VAL 10 Cb 0.00 -1.34 0.12 0.00 0.00 0.00 0.00 36.38 35.17 1qo6 s VAL 10 CO 0.00 -0.45 1.57 -0.69 0.00 0.00 0.00 175.10 175.53 1qo6 s VAL 11 N 1.75 4.62 0.13 2.92 1.01 -1.26 -3.45 120.40 126.13 1qo6 s VAL 11 Ca 0.04 -2.31 -0.02 0.00 0.00 0.00 0.00 61.98 59.69 1qo6 s VAL 11 Cb -0.17 -5.04 0.03 0.00 0.00 0.00 0.00 36.38 31.20 1qo6 s VAL 11 CO -0.18 -1.81 0.09 -1.22 0.00 0.00 0.00 175.10 171.98 1qo6 n TYR 12 N 6.91 -2.51 -3.82 5.22 4.01 0.81 -4.76 117.16 123.01 1qo6 n TYR 12 Ca 0.42 -0.09 -0.12 0.00 -0.16 0.00 0.00 57.90 57.96 1qo6 n TYR 12 Cb 0.44 -0.12 -0.12 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.99 -0.14 -0.59 7.72 0.01 -1.26 -1.67 113.70 115.78 1qo6 s SER 13 Ca 0.07 0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.52 1qo6 s SER 13 Cb -0.01 0.33 -0.20 0.00 0.21 0.00 0.00 66.02 66.35 1qo6 s SER 13 CO 0.05 -0.12 1.34 0.55 0.41 0.00 0.00 173.24 175.47 1qo6 n VAL 14 N 2.69 0.00 0.00 3.43 3.14 -1.25 -0.75 118.33 125.59 1qo6 n VAL 14 Ca -0.14 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1qo6 n VAL 14 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 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 3.57 0.88 2.56 7.55 0.00 -0.82 -5.03 105.19 113.90 1qo6 n GLY 15 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 2.88 -0.92 1.61 2.00 0.07 -5.05 117.12 117.70 1qo6 n MET 16 Ca 0.00 -4.27 -0.35 0.00 0.00 0.00 0.00 57.70 53.08 1qo6 n MET 16 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 33.22 31.15 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 -0.35 0.00 -2.87 0.03 6.02 -1.26 -4.82 117.38 114.14 1qo6 n GLN 17 Ca 0.32 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.23 1qo6 n GLN 17 Cb 0.66 -0.83 -0.03 0.00 1.02 0.00 0.00 30.24 31.06 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 0.61 -0.65 -4.13 1.08 2.14 -0.32 -5.02 117.44 111.15 1qo6 n TRP 18 Ca 0.12 -1.20 -0.27 0.00 2.07 0.00 0.00 57.50 58.22 1qo6 n TRP 18 Cb 0.09 0.20 -0.17 0.00 -0.81 0.00 0.00 31.31 30.62 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 1.41 0.06 5.67 2.96 -1.26 -1.83 118.68 125.69 1qo6 s LEU 19 Ca 0.16 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1qo6 s LEU 19 Cb 0.00 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1qo6 s LEU 19 CO 0.11 -0.06 0.14 -0.75 -1.32 0.00 0.00 176.35 174.48 1qo6 s LYS 20 N 1.37 3.17 0.27 1.98 2.36 0.75 -4.87 119.74 124.77 1qo6 s LYS 20 Ca -0.01 -0.55 0.07 0.00 -2.55 0.00 0.00 55.97 52.94 1qo6 s LYS 20 Cb -0.14 -2.89 -0.06 0.00 -1.05 0.00 0.00 37.83 33.70 1qo6 s LYS 20 CO -0.05 0.59 -0.08 0.95 1.55 0.00 0.00 175.35 178.31 1qo6 s THR 21 N -1.43 1.75 -0.27 3.43 -4.23 -1.26 0.43 115.64 114.05 1qo6 s THR 21 Ca 0.32 -2.16 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 1qo6 s THR 21 Cb -0.13 -2.39 0.45 0.00 1.34 0.00 0.00 72.50 71.78 1qo6 s THR 21 CO 0.24 -0.35 1.19 0.00 -0.54 0.00 0.00 174.62 175.17 1qo6 n GLN 22 N -0.57 3.09 -1.38 3.99 6.02 -0.92 -4.92 117.38 122.68 1qo6 n GLN 22 Ca -0.06 -3.94 -0.14 0.00 -0.01 0.00 0.00 57.00 52.85 1qo6 n GLN 22 Cb 0.63 -2.09 -0.06 0.00 1.02 0.00 0.00 30.24 29.73 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qo6 n GLY 23 N -0.77 1.35 0.00 1.08 0.00 -1.26 -4.03 105.19 101.56 1qo6 n GLY 23 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.75 0.00 -2.77 1.61 2.85 -1.26 -5.16 115.26 109.79 1qo6 n ASN 24 Ca -0.14 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.24 1qo6 n ASN 24 Cb 0.51 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.52 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1qo6 n LYS 25 N -0.65 1.57 -4.58 1.20 5.02 -1.26 -5.17 118.16 114.30 1qo6 n LYS 25 Ca 0.00 -1.04 -0.26 0.00 -2.02 0.00 0.00 58.31 54.99 1qo6 n LYS 25 Cb 0.00 0.24 -0.11 0.00 -0.02 0.00 0.00 35.03 35.15 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qo6 s GLN 26 N -2.55 1.88 -0.30 1.97 1.11 -1.26 -2.17 119.66 118.34 1qo6 s GLN 26 Ca 0.02 -2.06 -0.19 0.00 0.01 0.00 0.00 55.36 53.14 1qo6 s GLN 26 Cb -0.00 -1.45 0.18 0.00 -1.01 0.00 0.00 33.01 30.73 1qo6 s GLN 26 CO 0.01 -0.08 1.30 1.41 0.01 0.00 0.00 175.29 177.94 1qo6 s MET 27 N -3.75 0.00 -0.11 2.91 1.75 0.17 -2.25 119.30 118.02 1qo6 s MET 27 Ca 0.35 0.00 -0.25 0.00 -1.25 0.00 0.00 55.69 54.54 1qo6 s MET 27 Cb 0.09 0.00 -0.02 0.00 2.84 0.00 0.00 34.83 37.74 1qo6 s MET 27 CO 0.17 -0.00 0.80 -1.17 -0.65 0.00 0.00 175.02 174.18 1qo6 s LEU 28 N 2.52 4.25 0.02 4.11 0.20 -0.79 0.27 118.68 129.25 1qo6 s LEU 28 Ca -0.06 1.24 0.06 0.00 0.69 0.00 0.00 54.13 56.06 1qo6 s LEU 28 Cb -0.04 -3.22 -0.02 0.00 -0.43 0.00 0.00 46.19 42.47 1qo6 s LEU 28 CO -0.11 -0.29 -0.19 0.00 -0.29 0.00 0.00 176.35 175.48 1qo6 s THR 30 N -0.67 0.25 -0.37 0.00 2.01 0.42 -1.17 115.64 116.11 1qo6 s THR 30 Ca 0.06 -1.45 -0.01 0.00 0.31 0.00 0.00 61.69 60.60 1qo6 s THR 30 Cb -0.08 -1.03 0.09 0.00 0.01 0.00 0.00 72.50 71.50 1qo6 s THR 30 CO 0.01 -0.77 0.12 0.00 -0.69 0.00 0.00 174.62 173.29 1qo6 n LEU 32 N 4.52 0.00 0.00 0.00 -0.00 -1.21 -1.95 117.00 118.36 1qo6 n LEU 32 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 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 0.29 0.00 -0.05 0.61 -0.00 0.00 0.00 177.39 178.24 1qo6 n GLY 33 N 3.55 0.00 0.22 1.47 0.00 -1.26 -4.46 105.19 104.70 1qo6 n GLY 33 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.53 0.00 1.61 -1.07 -2.00 -3.49 115.58 111.17 1qo6 h ASN 34 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 56.30 56.13 1qo6 h ASN 34 Cb 0.10 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.20 1qo6 h ASN 34 CO 0.00 0.89 0.00 0.61 0.07 0.00 0.00 177.43 179.00 1qo6 n GLY 35 N -0.02 -0.70 3.22 9.14 0.00 -1.26 -5.15 105.19 110.43 1qo6 n GLY 35 Ca -0.02 0.64 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 2.18 -0.03 0.01 1.61 1.01 -1.26 -3.31 120.40 120.62 1qo6 s VAL 36 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1qo6 s VAL 36 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1qo6 s VAL 36 CO 0.00 0.04 -0.19 -0.55 0.00 0.00 0.00 175.10 174.40 1qo6 s SER 37 N 1.26 2.27 0.16 3.32 0.15 0.25 -4.92 113.70 116.19 1qo6 s SER 37 Ca -0.09 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.14 1qo6 s SER 37 Cb -0.08 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1qo6 s SER 37 CO -0.11 0.18 0.02 0.00 1.20 0.00 0.00 173.24 174.54 1qo6 s GLN 39 N -3.97 3.13 0.13 0.00 2.00 0.58 -4.93 119.66 116.61 1qo6 s GLN 39 Ca 0.24 -0.76 -0.31 0.00 -2.00 0.00 0.00 55.36 52.52 1qo6 s GLN 39 Cb 0.07 -2.69 -0.09 0.00 0.80 0.00 0.00 33.01 31.10 1qo6 s GLN 39 CO 0.03 -0.16 1.50 -1.83 -0.50 0.00 0.00 175.29 174.33 1qo6 s GLU 40 N 1.25 4.26 0.00 1.67 4.04 -1.26 -1.88 118.70 126.77 1qo6 s GLU 40 Ca 0.03 2.23 0.00 0.00 0.04 0.00 0.00 54.97 57.27 1qo6 s GLU 40 Cb -0.14 -3.25 0.00 0.00 0.02 0.00 0.00 34.13 30.76 1qo6 s GLU 40 CO -0.08 -0.55 0.00 2.41 -1.84 0.00 0.00 175.26 175.20 1qo6 n THR 41 N 4.07 0.00 0.00 1.83 -1.04 -0.95 -4.82 114.28 113.37 1qo6 n THR 41 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1qo6 n THR 41 Cb 0.40 0.00 0.00 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 0.00 0.00 -1.00 2.41 0.00 -1.22 -4.46 120.51 116.24 1qo6 n ALA 42 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1qo6 n ALA 42 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 1.79 0.12 0.00 -7.23 -1.26 -4.80 120.40 109.02 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 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1qo6 s VAL 43 CO 0.00 0.00 0.02 -0.89 -0.31 0.00 0.00 175.10 173.92 1qo6 s THR 44 N -2.87 0.25 1.01 5.32 2.01 -1.26 -5.00 115.64 115.09 1qo6 s THR 44 Ca 0.68 -1.90 -0.17 0.00 0.31 0.00 0.00 61.69 60.61 1qo6 s THR 44 Cb -0.16 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1qo6 s THR 44 CO 0.58 -0.60 -0.25 0.00 -0.69 0.00 0.00 174.62 173.66 1qo6 n GLN 45 N -0.07 -0.53 -4.25 4.92 1.13 -1.26 -4.81 117.38 112.50 1qo6 n GLN 45 Ca -0.08 -0.14 -0.21 0.00 -1.94 0.00 0.00 57.00 54.64 1qo6 n GLN 45 Cb 0.63 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.31 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1qo6 s THR 46 N -2.21 0.68 0.04 5.09 -4.23 -1.26 -3.43 115.64 110.33 1qo6 s THR 46 Ca 0.50 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1qo6 s THR 46 Cb -0.13 -0.68 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 1qo6 s THR 46 CO 0.70 0.26 -0.07 -0.72 -0.54 0.00 0.00 174.62 174.25 1qo6 s TYR 47 N 0.88 0.60 0.00 3.99 -0.85 -1.22 -4.21 117.35 116.54 1qo6 s TYR 47 Ca -0.11 -0.47 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1qo6 s TYR 47 Cb -0.15 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.83 1qo6 s TYR 47 CO 0.01 -0.09 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 1qo6 n GLY 48 N 1.60 2.04 6.51 5.49 0.00 -1.19 -3.43 105.19 116.22 1qo6 n GLY 48 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.54 0.03 -0.02 0.00 -1.26 -1.09 105.19 104.38 1qo6 n GLY 49 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 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 7.75 3.49 -0.67 1.61 2.85 -1.09 -4.59 115.26 124.60 1qo6 n ASN 50 Ca 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.58 1qo6 n ASN 50 Cb 0.00 0.74 0.04 0.00 1.24 0.00 0.00 39.78 41.80 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 -2.16 2.39 0.00 1.20 2.88 -0.99 -4.90 113.62 112.04 1qo6 n SER 51 Ca -0.09 -1.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 1qo6 n SER 51 Cb 0.63 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 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 0.55 -3.29 0.00 -3.46 4.05 -0.25 -4.13 115.26 108.73 1qo6 n ASN 52 Ca 0.11 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.14 1qo6 n ASN 52 Cb 0.51 -2.09 0.00 0.00 1.23 0.00 0.00 39.78 39.43 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qo6 n GLY 53 N -1.01 0.53 3.68 8.20 0.00 -1.13 -3.14 105.19 112.32 1qo6 n GLY 53 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 2.18 -0.01 1.61 0.41 -1.26 -4.91 118.70 116.73 1qo6 s GLU 54 Ca 0.00 -1.72 -0.30 0.00 -0.41 0.00 0.00 54.97 52.54 1qo6 s GLU 54 Cb 0.00 -2.00 -0.06 0.00 -1.78 0.00 0.00 34.13 30.29 1qo6 s GLU 54 CO 0.00 0.08 1.54 -1.25 -0.49 0.00 0.00 175.26 175.14 1qo6 s PRO 55 N -3.79 4.22 0.02 0.39 0.04 -1.26 -4.80 135.00 129.83 1qo6 s PRO 55 Ca 0.37 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 1qo6 s PRO 55 Cb 0.00 -3.73 0.01 0.00 0.04 0.00 0.00 34.50 30.82 1qo6 s PRO 55 CO 0.21 -0.71 0.01 0.00 0.04 0.00 0.00 177.00 176.55 1qo6 n VAL 57 N -3.01 0.10 -3.58 0.00 3.14 0.76 -4.69 118.33 111.06 1qo6 n VAL 57 Ca 0.00 -2.43 -0.20 0.00 -2.96 0.00 0.00 64.34 58.75 1qo6 n VAL 57 Cb 0.01 0.86 -0.02 0.00 -1.06 0.00 0.00 33.84 33.63 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 -2.65 3.71 0.11 6.55 -0.00 -1.26 -3.97 118.68 121.16 1qo6 s LEU 58 Ca 0.27 -0.41 -0.31 0.00 -0.00 0.00 0.00 54.13 53.68 1qo6 s LEU 58 Cb 0.35 -2.43 -0.08 0.00 -0.00 0.00 0.00 46.19 44.04 1qo6 s LEU 58 CO -0.05 -0.46 1.41 -2.16 -0.00 0.00 0.00 176.35 175.09 1qo6 s PRO 59 N -4.11 4.31 0.50 1.48 0.04 -1.26 -5.00 135.00 130.95 1qo6 s PRO 59 Ca 0.45 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.63 1qo6 s PRO 59 Cb -0.07 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.23 1qo6 s PRO 59 CO 0.29 -0.47 0.39 1.97 0.04 0.00 0.00 177.00 179.22 1qo6 n PHE 60 N 4.14 -0.76 -4.28 0.56 1.16 -0.58 -4.86 117.46 112.83 1qo6 n PHE 60 Ca 0.12 -2.10 -0.32 0.00 -1.87 0.00 0.00 57.45 53.28 1qo6 n PHE 60 Cb 0.42 -0.41 -0.16 0.00 -1.61 0.00 0.00 39.48 37.72 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 -2.47 1.91 -0.08 1.97 2.01 -1.26 -1.49 115.64 116.23 1qo6 s THR 61 Ca 0.30 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 1qo6 s THR 61 Cb -0.02 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.79 1qo6 s THR 61 CO 0.19 0.52 0.19 -0.47 -0.69 0.00 0.00 174.62 174.36 1qo6 s TYR 62 N 1.17 -0.23 0.00 4.92 5.04 -0.78 -4.83 117.35 122.65 1qo6 s TYR 62 Ca 0.01 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1qo6 s TYR 62 Cb -0.14 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1qo6 s TYR 62 CO -0.09 -0.14 0.00 -1.71 -1.34 0.00 0.00 175.55 172.28 1qo6 n ASN 63 N 3.44 -1.23 0.00 4.32 2.85 -1.26 -2.27 115.26 121.11 1qo6 n ASN 63 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1qo6 n ASN 63 Cb 0.56 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.28 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 -1.79 0.98 0.00 8.20 0.00 -1.26 -5.08 105.19 106.25 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 -1.06 3.61 -3.91 1.61 1.85 -0.96 -5.11 116.66 112.69 1qo6 n ARG 65 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1qo6 n ARG 65 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 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 1.53 0.05 -0.05 8.89 2.01 -1.26 -1.86 115.64 124.96 1qo6 s THR 66 Ca 0.00 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1qo6 s THR 66 Cb 0.00 -0.17 0.02 0.00 0.01 0.00 0.00 72.50 72.36 1qo6 s THR 66 CO 0.00 -0.23 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.31 1qo6 s PHE 67 N -0.70 0.61 -2.19 4.92 0.40 -0.56 -4.96 117.98 115.50 1qo6 s PHE 67 Ca -0.08 -0.14 0.20 0.00 -0.60 0.00 0.00 56.93 56.31 1qo6 s PHE 67 Cb -0.05 -0.63 0.85 0.00 0.51 0.00 0.00 43.02 43.71 1qo6 s PHE 67 CO -0.00 -0.20 1.59 0.66 0.70 0.00 0.00 175.22 177.97 1qo6 n TYR 68 N 4.30 0.15 -3.82 0.36 4.02 -1.26 -1.52 117.16 119.38 1qo6 n TYR 68 Ca -0.21 -0.07 -0.08 0.00 -0.01 0.00 0.00 57.90 57.52 1qo6 n TYR 68 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 1qo6 n TYR 68 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1qo6 s SER 69 N -1.57 -0.27 1.01 7.72 0.01 -1.26 -4.54 113.70 114.80 1qo6 s SER 69 Ca 0.31 -0.58 -0.15 0.00 1.31 0.00 0.00 55.95 56.84 1qo6 s SER 69 Cb 0.16 0.69 0.13 0.00 0.21 0.00 0.00 66.02 67.21 1qo6 s SER 69 CO 0.25 -1.27 0.12 0.00 0.41 0.00 0.00 173.24 172.75 1qo6 n THR 71 N -4.29 0.00 -2.78 0.00 5.66 -0.05 -4.85 114.28 107.97 1qo6 n THR 71 Ca 0.04 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.93 1qo6 n THR 71 Cb 0.42 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.23 1qo6 n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1qo6 n THR 72 N 1.72 0.57 0.03 1.09 -2.24 -1.26 0.23 114.28 114.42 1qo6 n THR 72 Ca 0.00 -3.12 -0.11 0.00 -2.27 0.00 0.00 64.05 58.55 1qo6 n THR 72 Cb 0.00 0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1qo6 n THR 72 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1qo6 h GLU 73 N 2.87 0.08 -0.75 -0.78 9.09 -1.96 -3.34 114.58 119.79 1qo6 h GLU 73 Ca -0.08 -0.13 -0.25 0.00 0.05 0.00 0.00 59.36 58.95 1qo6 h GLU 73 Cb 1.15 0.05 -0.15 0.00 -1.65 0.00 0.00 28.75 28.15 1qo6 h GLU 73 CO 0.41 0.87 0.30 0.41 0.05 0.00 0.00 179.01 181.06 1qo6 n GLY 74 N 1.52 3.83 3.27 1.06 0.00 -1.26 -4.96 105.19 108.65 1qo6 n GLY 74 Ca -0.11 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.04 0.96 -0.00 1.61 1.70 -1.26 -5.04 118.95 113.88 1qo6 s ARG 75 Ca 0.55 -0.76 0.03 0.00 -0.47 0.00 0.00 55.73 55.08 1qo6 s ARG 75 Cb 0.44 0.41 0.09 0.00 -0.57 0.00 0.00 34.95 35.32 1qo6 s ARG 75 CO 0.13 -0.35 1.07 0.00 -1.08 0.00 0.00 175.30 175.07 1qo6 n GLN 76 N -0.07 2.93 -0.03 3.89 10.64 -1.26 -4.66 117.38 128.83 1qo6 n GLN 76 Ca -0.16 -1.67 -0.16 0.00 -1.83 0.00 0.00 57.00 53.18 1qo6 n GLN 76 Cb 0.63 -1.08 -0.13 0.00 -0.86 0.00 0.00 30.24 28.79 1qo6 n GLN 76 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1qo6 h ASP 77 N 0.51 0.18 0.00 2.61 2.03 -1.96 -3.48 116.42 116.31 1qo6 h ASP 77 Ca 0.00 -0.95 0.00 0.00 -0.73 0.00 0.00 57.03 55.35 1qo6 h ASP 77 Cb 0.57 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1qo6 h ASP 77 CO 0.00 1.12 0.00 0.61 -1.03 0.00 0.00 179.24 179.94 1qo6 n GLY 78 N 1.54 1.52 3.44 7.15 0.00 -1.26 -5.10 105.19 112.47 1qo6 n GLY 78 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 3.15 0.38 1.61 3.76 -1.26 -5.04 115.29 115.89 1qo6 s HIS 79 Ca 0.00 -0.53 -0.26 0.00 -0.15 0.00 0.00 55.06 54.12 1qo6 s HIS 79 Cb 0.00 -2.31 -0.11 0.00 1.11 0.00 0.00 32.58 31.27 1qo6 s HIS 79 CO 0.00 -0.42 1.16 1.28 -0.85 0.00 0.00 174.74 175.91 1qo6 n LEU 80 N 4.96 3.17 -4.27 0.89 4.32 -1.25 -4.67 117.00 120.14 1qo6 n LEU 80 Ca -0.15 1.12 -0.15 0.00 -0.02 0.00 0.00 56.01 56.82 1qo6 n LEU 80 Cb 0.50 -1.42 -0.10 0.00 -1.62 0.00 0.00 43.42 40.77 1qo6 n LEU 80 CO 0.33 -0.97 -0.25 -1.66 -1.22 0.00 0.00 177.39 173.62 1qo6 s TRP 81 N -1.18 1.40 0.25 -1.77 1.48 0.64 0.62 118.94 120.37 1qo6 s TRP 81 Ca 0.60 -1.25 -0.18 0.00 -1.06 0.00 0.00 56.10 54.21 1qo6 s TRP 81 Cb -0.56 -0.77 0.01 0.00 -1.16 0.00 0.00 33.47 30.99 1qo6 s TRP 81 CO 0.59 -0.44 0.61 0.00 -4.06 0.00 0.00 176.95 173.64 1qo6 s SER 83 N -2.94 6.36 -0.01 0.00 0.15 -1.26 -0.57 113.70 115.43 1qo6 s SER 83 Ca 0.14 0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.45 1qo6 s SER 83 Cb -0.03 -2.05 -0.28 0.00 -1.71 0.00 0.00 66.02 61.96 1qo6 s SER 83 CO 0.05 0.39 0.71 0.35 1.20 0.00 0.00 173.24 175.94 1qo6 n THR 84 N 1.85 0.00 -3.92 6.45 -2.24 0.33 0.27 114.28 117.02 1qo6 n THR 84 Ca -0.19 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.15 1qo6 n THR 84 Cb 0.55 0.56 -0.17 0.00 -2.10 0.00 0.00 70.33 69.17 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 -3.21 0.49 0.46 4.28 2.01 -1.25 -4.57 115.64 113.85 1qo6 s THR 85 Ca 0.01 -0.00 0.41 0.00 0.31 0.00 0.00 61.69 62.42 1qo6 s THR 85 Cb 0.15 -0.59 0.61 0.00 0.01 0.00 0.00 72.50 72.68 1qo6 s THR 85 CO 0.88 0.26 1.33 -1.54 -0.69 0.00 0.00 174.62 174.86 1qo6 n SER 86 N 4.72 0.02 -3.75 3.53 3.41 -1.26 -0.66 113.62 119.63 1qo6 n SER 86 Ca -0.14 0.89 -0.38 0.00 -0.26 0.00 0.00 58.87 58.99 1qo6 n SER 86 Cb 0.50 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1qo6 n SER 86 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qo6 n ASN 87 N -3.74 5.70 0.19 4.04 5.15 -1.26 -4.78 115.26 120.57 1qo6 n ASN 87 Ca 0.38 -3.47 0.14 0.00 -0.60 0.00 0.00 54.58 51.03 1qo6 n ASN 87 Cb 1.68 -1.06 0.49 0.00 -0.53 0.00 0.00 39.78 40.36 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1qo6 h TYR 88 N 4.83 0.00 0.00 1.20 5.03 -1.25 0.31 116.97 127.08 1qo6 h TYR 88 Ca 0.23 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 1qo6 h TYR 88 Cb 0.59 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.87 1qo6 h TYR 88 CO 0.96 0.00 -0.09 0.93 -1.32 0.00 0.00 178.16 178.64 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.86 -0.83 114.58 118.79 1qo6 h GLU 89 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1qo6 h GLU 89 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1qo6 h GLU 89 CO 0.00 0.09 -1.38 0.00 -1.00 0.00 0.00 179.01 176.72 1qo6 n GLN 90 N -3.28 0.26 -0.04 2.33 10.64 -1.07 -4.74 117.38 121.48 1qo6 n GLN 90 Ca -0.00 0.04 -0.14 0.00 -1.83 0.00 0.00 57.00 55.06 1qo6 n GLN 90 Cb 0.32 -1.13 -0.09 0.00 -0.86 0.00 0.00 30.24 28.47 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 0.38 -0.06 2.61 5.19 -1.03 -3.47 116.42 120.04 1qo6 h ASP 91 Ca -0.15 -0.61 -0.03 0.00 -0.62 0.00 0.00 57.03 55.62 1qo6 h ASP 91 Cb 1.24 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1qo6 h ASP 91 CO -0.02 0.92 -0.02 1.67 -3.12 0.00 0.00 179.24 178.67 1qo6 n GLN 92 N -4.47 -0.65 -2.75 3.56 -0.06 -0.32 -4.96 117.38 107.73 1qo6 n GLN 92 Ca -0.08 0.27 -0.42 0.00 -2.00 0.00 0.00 57.00 54.77 1qo6 n GLN 92 Cb 0.46 -3.84 -0.04 0.00 -4.06 0.00 0.00 30.24 22.77 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 -1.02 3.17 0.46 3.69 3.01 -1.26 -4.95 119.74 122.84 1qo6 s LYS 93 Ca 0.00 -0.57 0.04 0.00 -1.01 0.00 0.00 55.97 54.44 1qo6 s LYS 93 Cb 0.00 -4.19 -0.04 0.00 -1.01 0.00 0.00 37.83 32.59 1qo6 s LYS 93 CO 0.00 -1.89 0.05 1.52 0.51 0.00 0.00 175.35 175.54 1qo6 s TYR 94 N 4.60 2.19 -0.19 3.18 1.13 -1.26 -0.51 117.35 126.49 1qo6 s TYR 94 Ca 0.27 -0.80 -0.14 0.00 -1.41 0.00 0.00 57.07 55.00 1qo6 s TYR 94 Cb -0.13 -1.73 0.05 0.00 -1.10 0.00 0.00 41.96 39.05 1qo6 s TYR 94 CO 0.13 0.27 0.48 -1.12 -2.51 0.00 0.00 175.55 172.80 1qo6 s SER 95 N -3.84 -0.55 1.29 -0.18 0.01 0.27 -2.33 113.70 108.36 1qo6 s SER 95 Ca 0.23 1.00 -0.21 0.00 1.31 0.00 0.00 55.95 58.29 1qo6 s SER 95 Cb 0.05 0.96 0.32 0.00 0.21 0.00 0.00 66.02 67.56 1qo6 s SER 95 CO 0.12 -0.18 1.05 -0.36 0.41 0.00 0.00 173.24 174.28 1qo6 s PHE 96 N 0.77 0.03 -0.17 2.43 0.08 -1.22 0.40 117.98 120.30 1qo6 s PHE 96 Ca -0.04 0.51 -0.14 0.00 0.12 0.00 0.00 56.93 57.38 1qo6 s PHE 96 Cb -0.05 -3.27 0.05 0.00 -0.57 0.00 0.00 43.02 39.18 1qo6 s PHE 96 CO -0.06 -4.31 0.45 0.00 -0.10 0.00 0.00 175.22 171.20 1qo6 n THR 98 N 3.35 0.00 0.00 0.00 -2.24 -1.22 -3.81 114.28 110.36 1qo6 n THR 98 Ca -0.17 0.90 0.00 0.00 -2.27 0.00 0.00 64.05 62.52 1qo6 n THR 98 Cb 0.56 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1qo6 n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qo6 n ASP 99 N -0.61 0.00 0.00 3.42 8.00 -1.26 -4.72 116.55 121.37 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qo6 n HIS 100 N 0.00 0.00 -0.08 1.24 8.25 -1.26 -5.02 115.22 118.35 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qo6 n HIS 100 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23