#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 2.02 3.52 2.72 0.00 -1.26 -4.47 105.19 107.71 1qo6 n GLY 2 Ca 0.00 0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 12.23 0.62 -3.96 1.61 8.25 -1.26 -3.18 115.22 129.52 1qo6 n HIS 3 Ca 0.00 0.77 -0.35 0.00 -0.26 0.00 0.00 57.72 57.88 1qo6 n HIS 3 Cb 0.00 -2.14 -0.13 0.00 1.12 0.00 0.00 29.99 28.84 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 s VAL 5 N 1.22 2.30 -0.75 0.00 1.01 -1.26 0.26 120.40 123.19 1qo6 s VAL 5 Ca 0.04 -2.93 -0.17 0.00 0.00 0.00 0.00 61.98 58.91 1qo6 s VAL 5 Cb -0.15 -2.63 -0.18 0.00 0.00 0.00 0.00 36.38 33.43 1qo6 s VAL 5 CO 0.02 -0.76 1.96 1.07 0.00 0.00 0.00 175.10 177.39 1qo6 n THR 6 N 3.49 0.00 0.00 3.92 5.66 -1.15 -4.02 114.28 122.17 1qo6 n THR 6 Ca 0.05 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1qo6 n THR 6 Cb 0.35 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.98 1qo6 n THR 6 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1qo6 n ASP 7 N 13.36 0.00 0.00 1.09 8.00 -1.26 -2.93 116.55 134.81 1qo6 n ASP 7 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1qo6 n ASP 7 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 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 3.23 0.00 0.00 -2.24 2.88 -1.26 -5.01 113.62 111.22 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 0.23 3.08 0.46 0.00 -1.15 -5.06 105.19 102.75 1qo6 n GLY 9 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.43 0.02 -0.96 1.61 1.01 -1.26 -5.04 120.40 114.34 1qo6 s VAL 10 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1qo6 s VAL 10 Cb 0.00 -0.31 0.24 0.00 0.00 0.00 0.00 36.38 36.31 1qo6 s VAL 10 CO 0.00 -0.07 0.88 -0.69 0.00 0.00 0.00 175.10 175.22 1qo6 s VAL 11 N -0.20 4.85 0.96 2.92 1.01 -1.26 -2.95 120.40 125.72 1qo6 s VAL 11 Ca -0.03 -3.76 -0.15 0.00 0.00 0.00 0.00 61.98 58.04 1qo6 s VAL 11 Cb -0.03 -3.97 0.20 0.00 0.00 0.00 0.00 36.38 32.59 1qo6 s VAL 11 CO 0.01 -1.12 1.31 -0.31 0.00 0.00 0.00 175.10 174.99 1qo6 s TYR 12 N -1.35 1.51 -0.02 5.22 2.02 0.74 -4.86 117.35 120.61 1qo6 s TYR 12 Ca 0.29 0.26 0.02 0.00 -0.37 0.00 0.00 57.07 57.27 1qo6 s TYR 12 Cb -0.08 -4.09 0.00 0.00 -0.40 0.00 0.00 41.96 37.39 1qo6 s TYR 12 CO -0.11 -2.65 -0.09 -1.12 -1.57 0.00 0.00 175.55 170.01 1qo6 s SER 13 N -4.90 1.17 -0.47 2.29 0.01 -1.26 -0.16 113.70 110.38 1qo6 s SER 13 Ca 0.74 -0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.78 1qo6 s SER 13 Cb -0.03 -0.29 -0.16 0.00 0.21 0.00 0.00 66.02 65.75 1qo6 s SER 13 CO 0.53 0.07 1.12 0.55 0.41 0.00 0.00 173.24 175.92 1qo6 n VAL 14 N 3.23 0.00 0.00 3.43 3.14 -1.19 0.54 118.33 127.48 1qo6 n VAL 14 Ca -0.17 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1qo6 n VAL 14 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 3.07 0.36 3.58 7.55 0.00 -0.03 -4.99 105.19 114.72 1qo6 n GLY 15 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qo6 s MET 16 N 0.00 3.72 -0.41 1.61 1.00 0.19 -4.95 119.30 120.46 1qo6 s MET 16 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 55.69 55.60 1qo6 s MET 16 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 34.83 31.06 1qo6 s MET 16 CO 0.00 -0.70 0.50 -0.65 0.00 0.00 0.00 175.02 174.18 1qo6 s GLN 17 N 2.67 3.24 0.23 2.03 -0.21 -1.26 -3.28 119.66 123.09 1qo6 s GLN 17 Ca 0.24 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.07 1qo6 s GLN 17 Cb -0.15 -3.93 -0.00 0.00 1.00 0.00 0.00 33.01 29.93 1qo6 s GLN 17 CO 0.14 -0.86 0.01 -2.67 -2.12 0.00 0.00 175.29 169.80 1qo6 n TRP 18 N 5.80 0.45 -4.44 0.91 2.14 -0.61 -5.03 117.44 116.66 1qo6 n TRP 18 Ca -0.05 -1.20 -0.20 0.00 2.07 0.00 0.00 57.50 58.12 1qo6 n TRP 18 Cb 0.48 -0.13 -0.15 0.00 -0.81 0.00 0.00 31.31 30.70 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 1.93 0.22 5.67 2.96 -1.26 -2.27 118.68 125.94 1qo6 s LEU 19 Ca 0.02 -0.19 0.11 0.00 -0.22 0.00 0.00 54.13 53.85 1qo6 s LEU 19 Cb 0.00 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 1qo6 s LEU 19 CO 0.01 0.11 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.18 1qo6 s LYS 20 N -0.08 1.55 0.03 1.98 2.20 0.62 -4.87 119.74 121.18 1qo6 s LYS 20 Ca 0.01 -1.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.02 1qo6 s LYS 20 Cb -0.06 -1.76 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 1qo6 s LYS 20 CO -0.00 0.36 -0.04 0.99 -0.36 0.00 0.00 175.35 176.30 1qo6 s THR 21 N -2.05 0.23 -1.56 3.43 2.01 -1.26 -0.38 115.64 116.07 1qo6 s THR 21 Ca 0.24 -1.20 0.15 0.00 0.31 0.00 0.00 61.69 61.18 1qo6 s THR 21 Cb -0.06 -0.69 0.29 0.00 0.01 0.00 0.00 72.50 72.05 1qo6 s THR 21 CO 0.11 -0.62 1.19 0.00 -0.69 0.00 0.00 174.62 174.61 1qo6 n GLN 22 N 1.14 2.10 0.00 4.92 1.13 -1.20 -4.95 117.38 120.51 1qo6 n GLN 22 Ca -0.21 -1.90 0.00 0.00 -1.94 0.00 0.00 57.00 52.95 1qo6 n GLN 22 Cb 0.57 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.58 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 0.89 2.54 0.00 1.08 0.00 -1.26 -4.72 105.19 103.71 1qo6 n GLY 23 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1qo6 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 24 N 0.00 4.23 -2.27 1.61 3.02 -1.26 -5.10 115.26 115.48 1qo6 n ASN 24 Ca 0.00 -0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1qo6 n ASN 24 Cb 0.00 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qo6 n LYS 25 N -2.38 0.70 -3.77 3.52 4.76 -1.26 -5.17 118.16 114.57 1qo6 n LYS 25 Ca -0.01 -1.27 -0.21 0.00 -2.87 0.00 0.00 58.31 53.96 1qo6 n LYS 25 Cb 0.51 0.74 -0.03 0.00 -1.84 0.00 0.00 35.03 34.41 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qo6 s GLN 26 N -2.56 2.88 -0.30 1.97 -0.21 -1.26 -3.22 119.66 116.96 1qo6 s GLN 26 Ca 0.09 -1.17 -0.09 0.00 0.02 0.00 0.00 55.36 54.21 1qo6 s GLN 26 Cb 0.00 -2.59 0.17 0.00 1.00 0.00 0.00 33.01 31.59 1qo6 s GLN 26 CO 0.06 0.14 0.80 1.41 -2.12 0.00 0.00 175.29 175.58 1qo6 s MET 27 N -4.02 0.43 -0.11 2.91 1.75 0.49 -0.13 119.30 120.61 1qo6 s MET 27 Ca 0.41 0.93 -0.19 0.00 -1.25 0.00 0.00 55.69 55.58 1qo6 s MET 27 Cb -0.07 0.54 -0.04 0.00 2.84 0.00 0.00 34.83 38.10 1qo6 s MET 27 CO 0.28 -0.30 0.53 -1.17 -0.65 0.00 0.00 175.02 173.71 1qo6 s LEU 28 N 2.78 4.28 0.07 4.11 0.20 -0.96 0.23 118.68 129.39 1qo6 s LEU 28 Ca 0.04 0.89 0.05 0.00 0.69 0.00 0.00 54.13 55.81 1qo6 s LEU 28 Cb -0.11 -2.79 -0.03 0.00 -0.43 0.00 0.00 46.19 42.84 1qo6 s LEU 28 CO -0.18 -0.04 -0.15 0.00 -0.29 0.00 0.00 176.35 175.70 1qo6 s THR 30 N -1.16 0.05 -0.39 0.00 2.01 0.41 -1.57 115.64 114.99 1qo6 s THR 30 Ca -0.00 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 1qo6 s THR 30 Cb -0.10 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.69 1qo6 s THR 30 CO 0.02 -0.22 0.20 0.00 -0.69 0.00 0.00 174.62 173.93 1qo6 n LEU 32 N 4.82 0.00 0.00 0.00 -0.00 -1.15 -0.85 117.00 119.82 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 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1qo6 n LEU 32 CO 0.36 0.00 -0.13 0.61 -0.00 0.00 0.00 177.39 178.22 1qo6 n GLY 33 N 3.67 0.00 0.13 1.47 0.00 -1.26 -4.11 105.19 105.09 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 0.18 0.00 1.61 -1.07 -1.99 -3.36 115.58 110.94 1qo6 h ASN 34 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.24 1qo6 h ASN 34 Cb 0.26 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 1qo6 h ASN 34 CO 0.00 0.87 0.00 0.61 0.07 0.00 0.00 177.43 178.98 1qo6 n GLY 35 N 0.61 0.67 3.00 9.14 0.00 -1.26 -4.06 105.19 113.30 1qo6 n GLY 35 Ca -0.02 0.44 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 2.48 -0.35 0.17 1.61 1.01 -1.26 -2.94 120.40 121.13 1qo6 s VAL 36 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1qo6 s VAL 36 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1qo6 s VAL 36 CO 0.00 0.11 -0.08 -0.55 0.00 0.00 0.00 175.10 174.58 1qo6 s SER 37 N 2.23 4.34 -0.04 3.32 0.15 0.17 -4.91 113.70 118.97 1qo6 s SER 37 Ca -0.00 -0.54 -0.14 0.00 0.70 0.00 0.00 55.95 55.97 1qo6 s SER 37 Cb -0.12 -0.77 0.03 0.00 -1.71 0.00 0.00 66.02 63.44 1qo6 s SER 37 CO -0.08 0.11 0.32 0.00 1.20 0.00 0.00 173.24 174.78 1qo6 s GLN 39 N -1.01 2.98 0.30 0.00 -0.44 0.72 -4.91 119.66 117.30 1qo6 s GLN 39 Ca -0.11 -1.58 -0.30 0.00 -2.50 0.00 0.00 55.36 50.87 1qo6 s GLN 39 Cb -0.05 -4.23 -0.11 0.00 -1.64 0.00 0.00 33.01 26.98 1qo6 s GLN 39 CO 0.04 -1.22 1.60 -0.85 0.50 0.00 0.00 175.29 175.35 1qo6 n GLU 40 N 5.23 2.73 0.00 1.67 0.28 -1.26 -2.25 120.64 127.04 1qo6 n GLU 40 Ca -0.13 0.97 0.00 0.00 -0.16 0.00 0.00 57.16 57.84 1qo6 n GLU 40 Cb 0.41 -2.75 0.00 0.00 1.43 0.00 0.00 31.44 30.53 1qo6 n GLU 40 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1qo6 n THR 41 N 1.98 0.00 0.00 3.84 -1.04 0.81 -4.84 114.28 115.02 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 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.19 2.41 0.00 -1.09 -4.23 120.51 117.41 1qo6 n ALA 42 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1qo6 n ALA 42 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qo6 n VAL 43 N 0.00 0.00 0.00 0.00 0.24 -1.26 -5.01 118.33 112.30 1qo6 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1qo6 n VAL 43 Cb 0.00 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1qo6 n THR 44 N -0.50 0.00 -4.62 3.34 -2.24 -1.26 -4.98 114.28 104.03 1qo6 n THR 44 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1qo6 n THR 44 Cb 0.02 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.00 2.00 0.14 -0.78 -0.21 -1.26 -5.11 119.66 112.44 1qo6 s GLN 45 Ca 0.00 -2.22 -0.12 0.00 0.02 0.00 0.00 55.36 53.04 1qo6 s GLN 45 Cb 0.00 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.86 1qo6 s GLN 45 CO 0.00 -0.33 0.33 0.95 -2.12 0.00 0.00 175.29 174.13 1qo6 s THR 46 N -3.02 0.08 -0.29 -0.19 -4.23 -1.25 -3.92 115.64 102.83 1qo6 s THR 46 Ca 0.20 -1.04 -0.19 0.00 -1.18 0.00 0.00 61.69 59.48 1qo6 s THR 46 Cb 0.04 -1.52 0.16 0.00 1.34 0.00 0.00 72.50 72.52 1qo6 s THR 46 CO 0.11 -0.35 1.11 -0.72 -0.54 0.00 0.00 174.62 174.23 1qo6 s TYR 47 N -3.89 -0.38 0.00 3.99 -0.85 -1.26 -4.75 117.35 110.21 1qo6 s TYR 47 Ca 0.10 0.82 0.00 0.00 -0.52 0.00 0.00 57.07 57.46 1qo6 s TYR 47 Cb 0.02 0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.68 1qo6 s TYR 47 CO -0.06 -0.19 0.00 0.41 -1.52 0.00 0.00 175.55 174.20 1qo6 n GLY 48 N 2.93 2.26 7.00 5.49 0.00 -1.25 -3.93 105.19 117.69 1qo6 n GLY 48 Ca -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.20 0.07 -0.02 0.00 -1.26 0.81 105.19 103.60 1qo6 n GLY 49 Ca 0.00 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1qo6 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 50 N -0.39 0.52 -2.67 1.61 4.13 -0.53 -3.65 115.26 114.28 1qo6 n ASN 50 Ca 0.00 0.57 -0.08 0.00 1.68 0.00 0.00 54.58 56.75 1qo6 n ASN 50 Cb 0.00 -0.70 0.04 0.00 -1.54 0.00 0.00 39.78 37.58 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 -2.01 2.04 -2.31 6.41 7.64 -1.12 -4.81 113.62 119.46 1qo6 n SER 51 Ca 0.05 -2.59 -0.06 0.00 1.01 0.00 0.00 58.87 57.29 1qo6 n SER 51 Cb 0.36 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 1qo6 n SER 51 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qo6 n ASN 52 N -0.37 -0.09 -2.47 6.43 4.13 0.58 -2.82 115.26 120.65 1qo6 n ASN 52 Ca 0.13 -0.19 -0.03 0.00 1.68 0.00 0.00 54.58 56.17 1qo6 n ASN 52 Cb 0.81 -0.24 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qo6 n GLY 53 N -0.87 -5.54 3.24 7.41 0.00 0.24 -3.91 105.19 105.76 1qo6 n GLY 53 Ca -0.01 1.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.96 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 -0.66 1.20 -0.74 1.61 -1.05 -1.13 -4.72 118.70 113.21 1qo6 s GLU 54 Ca -0.17 -1.55 -0.31 0.00 -0.15 0.00 0.00 54.97 52.79 1qo6 s GLU 54 Cb 0.01 0.29 -0.16 0.00 -0.44 0.00 0.00 34.13 33.83 1qo6 s GLU 54 CO 0.45 -0.40 2.52 -2.30 0.95 0.00 0.00 175.26 176.48 1qo6 n PRO 55 N -0.26 0.43 -0.79 -4.83 -0.02 -1.26 -4.88 135.00 123.40 1qo6 n PRO 55 Ca 0.00 0.03 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 1qo6 n PRO 55 Cb 0.65 -2.19 0.13 0.00 -0.02 0.00 0.00 33.50 32.07 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 -3.70 2.10 -4.00 0.00 3.14 0.54 -4.88 118.33 111.52 1qo6 n VAL 57 Ca 0.08 -5.11 -0.23 0.00 -2.96 0.00 0.00 64.34 56.12 1qo6 n VAL 57 Cb 0.53 -2.10 -0.06 0.00 -1.06 0.00 0.00 33.84 31.16 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 -2.30 3.31 0.13 6.55 -0.00 -1.26 -3.93 118.68 121.18 1qo6 s LEU 58 Ca 0.38 -0.76 -0.31 0.00 -0.00 0.00 0.00 54.13 53.44 1qo6 s LEU 58 Cb 0.13 -1.81 -0.09 0.00 -0.00 0.00 0.00 46.19 44.42 1qo6 s LEU 58 CO -0.03 -0.37 1.48 -2.16 -0.00 0.00 0.00 176.35 175.26 1qo6 s PRO 59 N -3.91 4.27 0.43 1.48 0.04 -1.26 -5.02 135.00 131.04 1qo6 s PRO 59 Ca 0.40 2.20 0.07 0.00 0.04 0.00 0.00 61.00 63.71 1qo6 s PRO 59 Cb -0.02 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1qo6 s PRO 59 CO 0.24 -0.53 0.35 -0.59 0.04 0.00 0.00 177.00 176.51 1qo6 s PHE 60 N 1.24 2.58 -0.15 0.56 -0.12 -0.98 -4.88 117.98 116.24 1qo6 s PHE 60 Ca 0.67 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 57.03 1qo6 s PHE 60 Cb -0.40 -2.11 0.01 0.00 -0.63 0.00 0.00 43.02 39.89 1qo6 s PHE 60 CO 0.31 -0.11 -0.21 0.99 -0.05 0.00 0.00 175.22 176.15 1qo6 s THR 61 N -2.53 2.11 -0.06 -4.49 2.01 -1.26 -1.93 115.64 109.50 1qo6 s THR 61 Ca 0.46 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1qo6 s THR 61 Cb -0.02 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.67 1qo6 s THR 61 CO 0.26 0.55 -0.01 -0.47 -0.69 0.00 0.00 174.62 174.26 1qo6 s TYR 62 N 0.87 0.67 0.00 4.92 5.04 -0.71 -4.76 117.35 123.38 1qo6 s TYR 62 Ca -0.06 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.41 1qo6 s TYR 62 Cb -0.15 -0.75 0.00 0.00 0.35 0.00 0.00 41.96 41.41 1qo6 s TYR 62 CO -0.03 -0.29 0.00 -1.71 -1.34 0.00 0.00 175.55 172.18 1qo6 n ASN 63 N 4.85 -1.89 0.00 4.32 2.85 -1.26 -2.29 115.26 121.85 1qo6 n ASN 63 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1qo6 n ASN 63 Cb 0.50 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.04 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 -1.63 2.49 0.00 8.20 0.00 -1.26 -5.09 105.19 107.90 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 -0.66 0.83 -4.14 1.61 0.00 -0.97 -5.05 116.66 108.28 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 -0.10 0.00 -0.00 0.00 0.00 32.46 32.36 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 0.53 0.55 -0.06 8.89 2.01 -1.26 -1.73 115.64 124.57 1qo6 s THR 66 Ca 0.00 -1.82 -0.07 0.00 0.31 0.00 0.00 61.69 60.12 1qo6 s THR 66 Cb 0.00 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1qo6 s THR 66 CO 0.00 -0.86 0.18 -0.36 -0.69 0.00 0.00 174.62 172.88 1qo6 s PHE 67 N -3.49 -0.16 -0.37 4.92 0.40 -0.81 -4.96 117.98 113.51 1qo6 s PHE 67 Ca 0.08 0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.86 1qo6 s PHE 67 Cb 0.05 0.05 0.59 0.00 0.51 0.00 0.00 43.02 44.22 1qo6 s PHE 67 CO -0.06 -0.13 1.68 0.66 0.70 0.00 0.00 175.22 178.08 1qo6 n TYR 68 N 2.72 2.27 -3.54 0.36 4.01 -1.26 -2.31 117.16 119.41 1qo6 n TYR 68 Ca -0.14 -1.28 0.00 0.00 -0.16 0.00 0.00 57.90 56.32 1qo6 n TYR 68 Cb 0.58 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1qo6 n SER 69 N -0.41 0.00 -3.77 7.72 7.64 -1.26 -4.94 113.62 118.60 1qo6 n SER 69 Ca 0.41 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 60.10 1qo6 n SER 69 Cb 1.33 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 64.63 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qo6 n THR 71 N -3.96 0.00 -2.57 0.00 5.66 0.12 -4.81 114.28 108.72 1qo6 n THR 71 Ca 0.03 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.86 1qo6 n THR 71 Cb 0.36 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.16 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 -0.19 1.62 -0.51 1.09 -2.24 -1.26 0.18 114.28 112.96 1qo6 n THR 72 Ca 0.00 -3.86 0.10 0.00 -2.27 0.00 0.00 64.05 58.02 1qo6 n THR 72 Cb 0.00 -0.16 0.33 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.28 3.28 -2.13 -0.78 -0.58 -1.26 -4.41 120.64 114.49 1qo6 n GLU 73 Ca 0.22 -2.76 -0.04 0.00 -0.42 0.00 0.00 57.16 54.17 1qo6 n GLU 73 Cb 0.76 -1.73 0.06 0.00 -0.57 0.00 0.00 31.44 29.96 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 1.26 1.55 3.88 0.62 0.00 -1.26 -5.07 105.19 106.18 1qo6 n GLY 74 Ca 0.24 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1qo6 n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qo6 s ARG 75 N 0.04 2.64 0.00 1.61 1.81 -1.26 -5.03 118.95 118.76 1qo6 s ARG 75 Ca 0.06 -1.42 0.15 0.00 -1.72 0.00 0.00 55.73 52.80 1qo6 s ARG 75 Cb 0.30 -2.46 0.29 0.00 -0.45 0.00 0.00 34.95 32.64 1qo6 s ARG 75 CO -0.09 -0.10 1.19 1.04 -0.68 0.00 0.00 175.30 176.66 1qo6 n GLN 76 N -1.52 2.10 0.12 3.54 6.02 -1.26 -4.80 117.38 121.58 1qo6 n GLN 76 Ca 0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.12 1qo6 n GLN 76 Cb 0.61 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.54 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 0.85 -0.96 0.00 1.08 -0.08 -1.26 -5.08 116.55 111.11 1qo6 n ASP 77 Ca 0.13 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1qo6 n ASP 77 Cb 0.44 1.05 0.00 0.00 2.34 0.00 0.00 41.12 44.95 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qo6 n GLY 78 N 0.64 0.00 3.74 0.27 0.00 -1.26 -5.15 105.19 103.43 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 3.43 0.12 1.61 3.76 -1.26 -5.01 115.29 117.93 1qo6 s HIS 79 Ca 0.00 0.34 -0.31 0.00 -0.15 0.00 0.00 55.06 54.94 1qo6 s HIS 79 Cb 0.00 -2.13 -0.08 0.00 1.11 0.00 0.00 32.58 31.48 1qo6 s HIS 79 CO 0.00 0.34 1.44 -0.51 -0.85 0.00 0.00 174.74 175.15 1qo6 s LEU 80 N 0.20 4.37 0.05 0.89 1.02 -1.26 -4.54 118.68 119.42 1qo6 s LEU 80 Ca 0.09 2.39 0.02 0.00 0.02 0.00 0.00 54.13 56.64 1qo6 s LEU 80 Cb -0.11 -3.59 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 1qo6 s LEU 80 CO -0.01 -0.70 -0.07 -1.66 0.02 0.00 0.00 176.35 173.93 1qo6 s TRP 81 N 1.22 0.68 0.29 0.29 1.48 0.13 0.14 118.94 123.16 1qo6 s TRP 81 Ca 0.66 -0.63 0.02 0.00 -1.06 0.00 0.00 56.10 55.09 1qo6 s TRP 81 Cb -0.38 -0.41 -0.05 0.00 -1.16 0.00 0.00 33.47 31.47 1qo6 s TRP 81 CO 0.30 -0.13 0.10 0.00 -4.06 0.00 0.00 176.95 173.17 1qo6 s SER 83 N -3.38 5.71 -0.04 0.00 0.15 -1.26 0.27 113.70 115.16 1qo6 s SER 83 Ca 0.36 0.06 0.07 0.00 0.70 0.00 0.00 55.95 57.15 1qo6 s SER 83 Cb 0.07 -1.59 -0.11 0.00 -1.71 0.00 0.00 66.02 62.68 1qo6 s SER 83 CO 0.15 0.18 0.11 0.35 1.20 0.00 0.00 173.24 175.23 1qo6 n THR 84 N 0.51 0.22 -4.57 6.45 -2.24 -0.91 0.20 114.28 113.93 1qo6 n THR 84 Ca -0.08 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 1qo6 n THR 84 Cb 0.52 -0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.38 3.10 0.54 4.28 2.01 -1.26 -4.26 115.64 117.67 1qo6 s THR 85 Ca -0.03 -0.63 0.47 0.00 0.31 0.00 0.00 61.69 61.81 1qo6 s THR 85 Cb 0.04 -2.33 0.69 0.00 0.01 0.00 0.00 72.50 70.92 1qo6 s THR 85 CO 0.31 0.51 1.60 0.77 -0.69 0.00 0.00 174.62 177.11 1qo6 h SER 86 N 7.01 0.03 -3.39 3.53 4.64 -1.94 -2.43 113.55 121.00 1qo6 h SER 86 Ca -0.30 0.02 -0.69 0.00 -0.47 0.00 0.00 61.79 60.35 1qo6 h SER 86 Cb 1.20 0.02 -0.36 0.00 -0.31 0.00 0.00 62.40 62.95 1qo6 h SER 86 CO 0.57 -0.03 -0.19 0.21 -0.87 0.00 0.00 176.83 176.51 1qo6 s ASN 87 N -4.06 5.74 0.34 4.97 3.04 -1.26 -4.76 114.94 118.94 1qo6 s ASN 87 Ca -0.05 -3.65 0.18 0.00 0.04 0.00 0.00 52.86 49.37 1qo6 s ASN 87 Cb 0.27 -1.86 0.28 0.00 -1.54 0.00 0.00 41.25 38.40 1qo6 s ASN 87 CO 0.88 -0.19 1.55 0.22 -3.04 0.00 0.00 177.10 176.52 1qo6 h TYR 88 N 6.02 0.00 0.00 0.43 3.20 -1.76 0.22 116.97 125.08 1qo6 h TYR 88 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1qo6 h TYR 88 Cb 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1qo6 h TYR 88 CO 0.71 0.36 0.00 0.39 -1.64 0.00 0.00 178.16 177.99 1qo6 n GLU 89 N -3.24 0.16 0.00 1.82 1.02 -1.26 -1.06 120.64 118.08 1qo6 n GLU 89 Ca 0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1qo6 n GLU 89 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.40 3.50 -0.10 3.49 -0.00 -1.15 -4.83 117.38 116.89 1qo6 n GLN 90 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.85 1qo6 n GLN 90 Cb 0.23 -0.95 -0.11 0.00 -0.00 0.00 0.00 30.24 29.40 1qo6 n GLN 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1qo6 n ASP 91 N -1.86 1.89 0.00 2.61 -0.08 0.05 -5.00 116.55 114.16 1qo6 n ASP 91 Ca 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1qo6 n ASP 91 Cb 0.45 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 42.97 1qo6 n ASP 91 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1qo6 n GLN 92 N -4.35 0.00 -3.03 -0.67 -0.06 -0.23 -5.02 117.38 104.02 1qo6 n GLN 92 Ca -0.35 0.37 -0.43 0.00 -2.00 0.00 0.00 57.00 54.59 1qo6 n GLN 92 Cb 0.73 -3.16 -0.06 0.00 -4.06 0.00 0.00 30.24 23.69 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 -1.51 3.28 0.18 3.69 -0.14 -1.26 -4.87 119.74 119.10 1qo6 s LYS 93 Ca 0.00 -0.42 0.03 0.00 -1.36 0.00 0.00 55.97 54.22 1qo6 s LYS 93 Cb 0.00 -4.01 -0.05 0.00 -1.68 0.00 0.00 37.83 32.10 1qo6 s LYS 93 CO 0.00 -1.19 -0.03 1.52 -0.76 0.00 0.00 175.35 174.89 1qo6 s TYR 94 N 3.13 1.28 0.00 3.18 -0.85 -1.26 -2.14 117.35 120.68 1qo6 s TYR 94 Ca 0.24 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.85 1qo6 s TYR 94 Cb -0.15 -0.72 0.00 0.00 0.38 0.00 0.00 41.96 41.48 1qo6 s TYR 94 CO 0.18 -0.11 0.00 -1.13 -1.52 0.00 0.00 175.55 172.97 1qo6 n SER 95 N -0.26 1.32 -3.43 -0.18 3.41 0.14 -1.46 113.62 113.17 1qo6 n SER 95 Ca -0.07 -0.93 -0.17 0.00 -0.26 0.00 0.00 58.87 57.44 1qo6 n SER 95 Cb 0.63 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qo6 n PHE 96 N 0.00 0.28 -3.25 7.33 3.72 -1.25 -1.96 117.46 122.32 1qo6 n PHE 96 Ca 0.00 -1.30 -0.04 0.00 -0.05 0.00 0.00 57.45 56.06 1qo6 n PHE 96 Cb 0.00 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 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 5.37 0.22 0.00 0.00 1.03 -1.85 -3.37 112.91 114.31 1qo6 h THR 98 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.42 1qo6 h THR 98 Cb 1.14 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 1qo6 h THR 98 CO 0.16 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 175.00 1qo6 n ASP 99 N -5.42 0.00 0.00 0.00 -0.08 -1.26 -4.64 116.55 105.15 1qo6 n ASP 99 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1qo6 n ASP 99 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1qo6 n HIS 100 N 0.00 0.00 0.06 -0.67 -0.00 -1.26 -5.10 115.22 108.25 1qo6 n HIS 100 Ca 0.00 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.19 1qo6 n HIS 100 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43