#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 0.00 3.27 2.72 0.00 -1.26 -5.03 105.19 104.89 1qo6 n GLY 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qo6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 3 N 0.00 2.33 0.44 1.61 3.76 -1.26 0.16 115.29 122.33 1qo6 s HIS 3 Ca 0.00 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.31 1qo6 s HIS 3 Cb 0.00 -1.52 -0.00 0.00 1.11 0.00 0.00 32.58 32.16 1qo6 s HIS 3 CO 0.00 -0.16 0.03 0.00 -0.85 0.00 0.00 174.74 173.77 1qo6 n VAL 5 N -1.07 0.00 0.00 0.00 0.24 -1.26 0.26 118.33 116.50 1qo6 n VAL 5 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 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 -0.10 3.34 -2.24 -1.25 -4.80 114.28 109.23 1qo6 n THR 6 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1qo6 n THR 6 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.00 1.99 0.00 3.42 8.00 -1.26 -4.99 116.55 123.72 1qo6 n ASP 7 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1qo6 n ASP 7 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 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 -3.71 0.00 0.11 -2.24 2.88 -1.26 -5.08 113.62 104.33 1qo6 n SER 8 Ca -0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1qo6 n SER 8 Cb 0.94 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 -1.58 3.76 0.46 0.00 -1.26 -5.13 105.19 101.44 1qo6 n GLY 9 Ca 0.00 0.49 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 4.13 -0.51 1.61 1.01 -1.26 -5.03 120.40 118.35 1qo6 s VAL 10 Ca 0.00 1.98 -0.06 0.00 0.00 0.00 0.00 61.98 63.90 1qo6 s VAL 10 Cb 0.00 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.31 1qo6 s VAL 10 CO 0.00 0.37 0.35 -0.69 0.00 0.00 0.00 175.10 175.13 1qo6 s VAL 11 N -1.34 3.87 0.00 2.92 1.01 -1.26 -3.95 120.40 121.64 1qo6 s VAL 11 Ca 0.44 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1qo6 s VAL 11 Cb -0.23 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1qo6 s VAL 11 CO 0.29 -0.79 0.00 -1.22 0.00 0.00 0.00 175.10 173.38 1qo6 n TYR 12 N 4.37 -3.49 -3.95 5.22 4.02 0.74 -4.86 117.16 119.21 1qo6 n TYR 12 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.79 1qo6 n TYR 12 Cb 0.41 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.62 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1qo6 s SER 13 N -1.18 0.20 -0.78 7.72 0.01 -1.26 -2.23 113.70 116.18 1qo6 s SER 13 Ca 0.00 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 56.62 1qo6 s SER 13 Cb 0.00 0.17 -0.21 0.00 0.21 0.00 0.00 66.02 66.19 1qo6 s SER 13 CO 0.00 -0.40 2.04 0.55 0.41 0.00 0.00 173.24 175.84 1qo6 n VAL 14 N 1.20 0.00 0.00 3.43 3.14 0.41 -0.53 118.33 125.98 1qo6 n VAL 14 Ca -0.21 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 1qo6 n VAL 14 Cb 0.57 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 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 5.82 1.62 0.16 7.55 0.00 -0.60 -4.99 105.19 114.75 1qo6 n GLY 15 Ca 0.47 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qo6 h MET 16 N 0.00 0.47 -5.99 1.61 -1.53 -1.00 -3.49 114.93 105.00 1qo6 h MET 16 Ca 0.00 -0.56 0.00 0.00 -3.44 0.00 0.00 59.70 55.70 1qo6 h MET 16 Cb 0.00 0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.20 1qo6 h MET 16 CO 0.00 1.20 -0.39 1.04 0.14 0.00 0.00 176.91 178.90 1qo6 n GLN 17 N -3.74 -1.74 -1.98 0.39 6.02 -1.26 -5.00 117.38 110.07 1qo6 n GLN 17 Ca -0.09 1.56 0.00 0.00 -0.01 0.00 0.00 57.00 58.47 1qo6 n GLN 17 Cb 0.89 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.55 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 2.22 0.00 -3.67 1.08 2.14 0.22 -4.99 117.44 114.44 1qo6 n TRP 18 Ca -0.07 0.00 -0.16 0.00 2.07 0.00 0.00 57.50 59.35 1qo6 n TRP 18 Cb 0.16 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.51 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 -0.07 0.00 5.67 2.96 -1.26 -0.90 118.68 125.08 1qo6 s LEU 19 Ca 0.00 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1qo6 s LEU 19 Cb 0.00 0.38 0.00 0.00 0.50 0.00 0.00 46.19 47.07 1qo6 s LEU 19 CO 0.00 -0.24 0.00 2.29 -1.32 0.00 0.00 176.35 177.08 1qo6 n LYS 20 N 5.25 2.66 -3.73 1.98 -0.00 0.26 -4.83 118.16 119.75 1qo6 n LYS 20 Ca -0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.03 1qo6 n LYS 20 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.49 1qo6 n LYS 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1qo6 n THR 21 N 0.00 0.00 -0.51 0.58 -2.24 -1.26 0.97 114.28 111.83 1qo6 n THR 21 Ca 0.00 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.17 1qo6 n THR 21 Cb 0.00 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1qo6 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n GLN 22 N -0.92 1.39 0.00 -0.78 1.13 -1.00 -4.68 117.38 112.52 1qo6 n GLN 22 Ca -0.13 -0.96 0.00 0.00 -1.94 0.00 0.00 57.00 53.97 1qo6 n GLN 22 Cb 0.44 -0.75 0.00 0.00 0.11 0.00 0.00 30.24 30.04 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 -0.23 3.11 0.00 1.08 0.00 -1.26 -4.76 105.19 103.12 1qo6 n GLY 23 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.07 0.00 -2.13 1.61 3.02 -1.26 -5.12 115.26 111.46 1qo6 n ASN 24 Ca 0.00 -1.00 -0.08 0.00 -0.03 0.00 0.00 54.58 53.47 1qo6 n ASN 24 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1qo6 n LYS 25 N 0.00 0.43 -4.07 3.52 0.00 -1.26 -5.17 118.16 111.61 1qo6 n LYS 25 Ca 0.00 -1.57 -0.32 0.00 -0.00 0.00 0.00 58.31 56.43 1qo6 n LYS 25 Cb 0.45 1.55 -0.07 0.00 -0.00 0.00 0.00 35.03 36.96 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 -2.41 3.00 -0.21 -1.58 -0.21 -1.26 -2.36 119.66 114.62 1qo6 s GLN 26 Ca 0.16 -0.58 -0.10 0.00 0.02 0.00 0.00 55.36 54.85 1qo6 s GLN 26 Cb -0.01 -2.80 0.07 0.00 1.00 0.00 0.00 33.01 31.27 1qo6 s GLN 26 CO 0.11 0.61 0.48 1.41 -2.12 0.00 0.00 175.29 175.78 1qo6 s MET 27 N -2.10 0.45 -0.28 2.91 1.75 0.27 0.75 119.30 123.05 1qo6 s MET 27 Ca 0.27 0.97 -0.26 0.00 -1.25 0.00 0.00 55.69 55.42 1qo6 s MET 27 Cb -0.12 0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.70 1qo6 s MET 27 CO 0.19 -0.18 0.93 -1.17 -0.65 0.00 0.00 175.02 174.14 1qo6 s LEU 28 N 1.82 4.04 -0.07 4.11 2.96 -0.80 0.93 118.68 131.66 1qo6 s LEU 28 Ca -0.08 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1qo6 s LEU 28 Cb -0.09 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 1qo6 s LEU 28 CO -0.15 -0.68 0.04 0.00 -1.32 0.00 0.00 176.35 174.24 1qo6 s THR 30 N -0.98 0.01 -0.39 0.00 2.01 0.37 0.70 115.64 117.37 1qo6 s THR 30 Ca 0.16 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 1qo6 s THR 30 Cb -0.12 -0.35 0.06 0.00 0.01 0.00 0.00 72.50 72.10 1qo6 s THR 30 CO 0.05 -0.07 0.21 0.00 -0.69 0.00 0.00 174.62 174.13 1qo6 n LEU 32 N 4.92 0.00 0.00 0.00 -0.00 -1.13 -1.55 117.00 119.24 1qo6 n LEU 32 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 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 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.37 1qo6 n GLY 33 N 3.39 -0.01 0.12 1.47 0.00 -1.26 -4.33 105.19 104.56 1qo6 n GLY 33 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1qo6 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qo6 h ASN 34 N 0.00 0.00 0.00 1.61 -1.07 -1.98 -3.46 115.58 110.69 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 0.69 0.00 0.61 0.07 0.00 0.00 177.43 178.80 1qo6 n GLY 35 N 0.82 1.58 2.83 9.14 0.00 -1.26 -5.14 105.19 113.15 1qo6 n GLY 35 Ca 0.00 0.17 -0.17 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 1.37 -0.32 0.27 1.61 1.01 -1.26 -2.84 120.40 120.25 1qo6 s VAL 36 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1qo6 s VAL 36 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1qo6 s VAL 36 CO 0.00 -0.02 0.11 -0.55 0.00 0.00 0.00 175.10 174.63 1qo6 s SER 37 N 2.33 4.98 0.27 3.32 0.15 0.12 -4.88 113.70 119.99 1qo6 s SER 37 Ca 0.04 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1qo6 s SER 37 Cb -0.14 -1.06 -0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1qo6 s SER 37 CO -0.09 -0.06 0.33 0.00 1.20 0.00 0.00 173.24 174.61 1qo6 s GLN 39 N -2.76 1.56 -0.98 0.00 -0.21 0.20 -4.92 119.66 112.55 1qo6 s GLN 39 Ca 0.25 -0.27 -0.26 0.00 0.02 0.00 0.00 55.36 55.10 1qo6 s GLN 39 Cb -0.00 -1.60 -0.16 0.00 1.00 0.00 0.00 33.01 32.24 1qo6 s GLN 39 CO 0.18 -0.26 2.17 -1.21 -2.12 0.00 0.00 175.29 174.06 1qo6 s GLU 40 N 1.67 1.60 0.00 2.91 0.41 -1.26 -1.90 118.70 122.12 1qo6 s GLU 40 Ca 0.04 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.40 1qo6 s GLU 40 Cb -0.13 -4.96 0.00 0.00 -1.78 0.00 0.00 34.13 27.27 1qo6 s GLU 40 CO -0.08 -4.79 0.00 2.41 -0.49 0.00 0.00 175.26 172.31 1qo6 n THR 41 N 8.70 0.00 -3.04 3.63 -1.04 0.23 -4.32 114.28 118.44 1qo6 n THR 41 Ca 0.43 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.38 1qo6 n THR 41 Cb 0.46 -0.08 0.01 0.00 -1.82 0.00 0.00 70.33 68.89 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 0.65 -2.65 -0.93 2.41 0.00 -1.15 -4.92 120.51 113.92 1qo6 n ALA 42 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.78 1qo6 n ALA 42 Cb 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 0.70 0.00 -3.42 0.00 0.24 -1.26 -4.97 118.33 109.62 1qo6 n VAL 43 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 1qo6 n VAL 43 Cb 0.36 -0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1qo6 s THR 44 N -0.95 -0.04 -0.92 3.34 -4.23 -1.26 -4.89 115.64 106.69 1qo6 s THR 44 Ca 0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1qo6 s THR 44 Cb -0.01 -1.00 0.25 0.00 1.34 0.00 0.00 72.50 73.08 1qo6 s THR 44 CO 0.05 0.00 0.94 0.00 -0.54 0.00 0.00 174.62 175.07 1qo6 n GLN 45 N 3.86 3.05 -2.47 3.99 1.13 -1.26 -5.04 117.38 120.64 1qo6 n GLN 45 Ca -0.12 -4.52 -0.41 0.00 -1.94 0.00 0.00 57.00 50.01 1qo6 n GLN 45 Cb 0.56 -2.42 -0.04 0.00 0.11 0.00 0.00 30.24 28.45 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 -1.77 3.91 0.00 5.09 -4.23 -1.25 -3.28 115.64 114.11 1qo6 s THR 46 Ca 0.30 1.54 0.01 0.00 -1.18 0.00 0.00 61.69 62.36 1qo6 s THR 46 Cb -0.02 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 1qo6 s THR 46 CO -0.07 0.21 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.46 1qo6 s TYR 47 N 0.23 0.37 0.00 3.99 -0.85 -1.25 -4.26 117.35 115.58 1qo6 s TYR 47 Ca 0.53 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1qo6 s TYR 47 Cb -0.30 -0.24 0.00 0.00 0.38 0.00 0.00 41.96 41.81 1qo6 s TYR 47 CO 0.33 -0.02 0.00 0.41 -1.52 0.00 0.00 175.55 174.75 1qo6 n GLY 48 N 2.76 1.80 6.65 5.49 0.00 -1.25 -3.77 105.19 116.88 1qo6 n GLY 48 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.23 0.00 -0.02 0.00 -1.26 -1.46 105.19 103.68 1qo6 n GLY 49 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 7.59 1.28 -0.27 1.61 2.85 -1.07 -4.53 115.26 122.73 1qo6 n ASN 50 Ca 0.00 -0.46 0.02 0.00 -0.11 0.00 0.00 54.58 54.04 1qo6 n ASN 50 Cb 0.00 1.11 0.06 0.00 1.24 0.00 0.00 39.78 42.18 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1qo6 n SER 51 N -1.35 2.25 -1.63 1.20 7.64 -0.96 -4.80 113.62 115.97 1qo6 n SER 51 Ca 0.00 -1.88 -0.14 0.00 1.01 0.00 0.00 58.87 57.87 1qo6 n SER 51 Cb 0.14 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.01 -3.76 -1.04 6.43 4.05 -0.53 -2.56 115.26 117.84 1qo6 n ASN 52 Ca 0.05 0.30 0.00 0.00 0.45 0.00 0.00 54.58 55.38 1qo6 n ASN 52 Cb 0.30 -3.42 0.00 0.00 1.23 0.00 0.00 39.78 37.89 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 -0.39 0.69 3.75 8.20 0.00 -0.95 -3.88 105.19 112.61 1qo6 n GLY 53 Ca -0.14 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.69 2.45 0.12 1.61 0.41 -1.06 -4.83 118.70 114.71 1qo6 s GLU 54 Ca 0.00 -1.48 -0.35 0.00 -0.41 0.00 0.00 54.97 52.73 1qo6 s GLU 54 Cb 0.00 -2.24 -0.15 0.00 -1.78 0.00 0.00 34.13 29.96 1qo6 s GLU 54 CO 0.00 0.13 1.52 -0.35 -0.49 0.00 0.00 175.26 176.07 1qo6 n PRO 55 N -1.18 1.83 -1.54 0.39 -0.04 -1.26 -4.85 135.00 128.35 1qo6 n PRO 55 Ca -0.03 0.66 -0.30 0.00 -0.04 0.00 0.00 63.50 63.79 1qo6 n PRO 55 Cb 0.61 -2.39 0.23 0.00 -0.04 0.00 0.00 33.50 31.90 1qo6 n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qo6 n VAL 57 N -4.32 -0.18 -3.86 0.00 3.14 0.72 -4.79 118.33 109.04 1qo6 n VAL 57 Ca 0.16 -4.17 -0.21 0.00 -2.96 0.00 0.00 64.34 57.15 1qo6 n VAL 57 Cb 0.59 -0.15 -0.04 0.00 -1.06 0.00 0.00 33.84 33.18 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 -2.31 3.58 0.14 6.55 -0.00 -1.26 -3.98 118.68 121.39 1qo6 s LEU 58 Ca 0.38 -0.50 -0.30 0.00 -0.00 0.00 0.00 54.13 53.70 1qo6 s LEU 58 Cb 0.33 -2.18 -0.07 0.00 -0.00 0.00 0.00 46.19 44.27 1qo6 s LEU 58 CO -0.08 -0.33 1.21 -2.16 -0.00 0.00 0.00 176.35 174.99 1qo6 s PRO 59 N -3.97 4.47 0.33 1.48 0.04 -1.26 -5.00 135.00 131.09 1qo6 s PRO 59 Ca 0.40 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1qo6 s PRO 59 Cb -0.06 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1qo6 s PRO 59 CO 0.26 -0.16 0.18 1.97 0.04 0.00 0.00 177.00 179.29 1qo6 n PHE 60 N 3.09 -0.47 -4.34 0.56 1.16 -0.80 -4.89 117.46 111.77 1qo6 n PHE 60 Ca 0.06 -1.48 -0.27 0.00 -1.87 0.00 0.00 57.45 53.90 1qo6 n PHE 60 Cb 0.45 -0.26 -0.17 0.00 -1.61 0.00 0.00 39.48 37.90 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 -1.81 1.27 -0.05 1.97 2.01 -1.26 -2.05 115.64 115.72 1qo6 s THR 61 Ca 0.14 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1qo6 s THR 61 Cb -0.01 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1qo6 s THR 61 CO 0.09 0.40 0.10 -0.47 -0.69 0.00 0.00 174.62 174.05 1qo6 s TYR 62 N 1.09 -0.09 0.00 4.92 5.04 -0.72 -4.81 117.35 122.78 1qo6 s TYR 62 Ca -0.06 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 1qo6 s TYR 62 Cb -0.14 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.07 1qo6 s TYR 62 CO -0.02 -0.12 0.00 0.09 -1.34 0.00 0.00 175.55 174.16 1qo6 n ASN 63 N 3.94 -3.48 0.00 4.32 3.02 -1.26 -1.89 115.26 119.91 1qo6 n ASN 63 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1qo6 n ASN 63 Cb 0.53 -2.06 0.00 0.00 -0.61 0.00 0.00 39.78 37.64 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 -1.00 0.42 0.00 7.41 0.00 -1.26 -5.08 105.19 105.68 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 -1.45 1.58 -3.93 1.61 1.85 -0.79 -5.10 116.66 110.43 1qo6 n ARG 65 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 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 0.76 0.08 -0.06 8.89 2.01 -1.26 -1.75 115.64 124.31 1qo6 s THR 66 Ca 0.00 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1qo6 s THR 66 Cb 0.00 -0.24 0.04 0.00 0.01 0.00 0.00 72.50 72.31 1qo6 s THR 66 CO 0.00 -0.36 0.13 -0.36 -0.69 0.00 0.00 174.62 173.34 1qo6 s PHE 67 N -1.09 -0.13 -1.62 4.92 0.40 -0.87 -4.97 117.98 114.62 1qo6 s PHE 67 Ca -0.12 0.44 0.09 0.00 -0.60 0.00 0.00 56.93 56.74 1qo6 s PHE 67 Cb -0.07 -0.15 0.32 0.00 0.51 0.00 0.00 43.02 43.63 1qo6 s PHE 67 CO -0.00 -0.17 1.20 0.66 0.70 0.00 0.00 175.22 177.61 1qo6 n TYR 68 N 4.41 0.60 -3.34 0.36 4.02 -1.26 -1.90 117.16 120.06 1qo6 n TYR 68 Ca -0.23 -0.26 -0.01 0.00 -0.01 0.00 0.00 57.90 57.39 1qo6 n TYR 68 Cb 0.51 -0.08 0.01 0.00 -0.02 0.00 0.00 39.34 39.75 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 0.45 -0.42 -4.47 7.72 7.64 -1.26 -4.67 113.62 118.61 1qo6 n SER 69 Ca 0.12 -1.26 -0.31 0.00 1.01 0.00 0.00 58.87 58.43 1qo6 n SER 69 Cb 0.40 0.68 0.18 0.00 -1.01 0.00 0.00 64.21 64.46 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 -2.44 0.00 -0.55 0.00 -1.32 -0.64 -4.82 115.64 105.87 1qo6 s THR 71 Ca 0.62 -0.02 0.06 0.00 -1.21 0.00 0.00 61.69 61.14 1qo6 s THR 71 Cb -0.21 -1.04 0.32 0.00 -1.51 0.00 0.00 72.50 70.06 1qo6 s THR 71 CO 0.64 0.00 0.85 0.35 -2.21 0.00 0.00 174.62 174.25 1qo6 n THR 72 N -0.22 2.20 -0.22 5.08 -2.24 -1.26 -0.53 114.28 117.09 1qo6 n THR 72 Ca -0.07 -5.26 0.04 0.00 -2.27 0.00 0.00 64.05 56.49 1qo6 n THR 72 Cb 0.61 -1.40 0.10 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.16 2.84 -0.04 -0.78 -0.58 -1.26 -4.55 120.64 116.43 1qo6 n GLU 73 Ca 0.29 -1.93 0.01 0.00 -0.42 0.00 0.00 57.16 55.11 1qo6 n GLU 73 Cb 0.45 -1.22 0.01 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.04 0.96 3.16 0.62 0.00 -1.26 -5.00 105.19 103.62 1qo6 n GLY 74 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.76 0.80 0.00 1.61 1.70 -1.26 -5.04 118.95 115.99 1qo6 s ARG 75 Ca 0.03 -1.17 0.22 0.00 -0.47 0.00 0.00 55.73 54.34 1qo6 s ARG 75 Cb 0.02 0.28 0.39 0.00 -0.57 0.00 0.00 34.95 35.07 1qo6 s ARG 75 CO 0.00 -0.22 1.36 0.00 -1.08 0.00 0.00 175.30 175.36 1qo6 n GLN 76 N -0.02 2.43 -0.06 3.89 10.64 -1.26 -4.53 117.38 128.47 1qo6 n GLN 76 Ca -0.12 -2.21 -0.04 0.00 -1.83 0.00 0.00 57.00 52.80 1qo6 n GLN 76 Cb 0.62 -1.49 -0.01 0.00 -0.86 0.00 0.00 30.24 28.50 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 4.29 0.00 0.00 2.61 3.04 -1.96 -3.50 116.42 120.91 1qo6 h ASP 77 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1qo6 h ASP 77 Cb 0.96 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.25 1qo6 h ASP 77 CO 0.00 0.62 0.00 0.61 -2.04 0.00 0.00 179.24 178.43 1qo6 n GLY 78 N 1.65 1.52 3.59 7.15 0.00 -1.26 -5.12 105.19 112.72 1qo6 n GLY 78 Ca -0.06 0.00 -0.40 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 -1.52 3.23 0.29 1.61 3.76 -1.26 -4.95 115.29 116.46 1qo6 s HIS 79 Ca 0.00 0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 55.02 1qo6 s HIS 79 Cb 0.00 -2.74 -0.13 0.00 1.11 0.00 0.00 32.58 30.82 1qo6 s HIS 79 CO 0.00 -0.36 1.23 1.28 -0.85 0.00 0.00 174.74 176.04 1qo6 n LEU 80 N 5.54 2.81 -3.85 0.89 4.32 -1.26 -4.62 117.00 120.82 1qo6 n LEU 80 Ca -0.06 1.18 -0.12 0.00 -0.02 0.00 0.00 56.01 56.99 1qo6 n LEU 80 Cb 0.50 -1.40 -0.13 0.00 -1.62 0.00 0.00 43.42 40.77 1qo6 n LEU 80 CO 0.41 -0.80 -0.26 -1.66 -1.22 0.00 0.00 177.39 173.85 1qo6 s TRP 81 N -0.78 -0.06 0.27 -1.77 1.48 0.31 0.21 118.94 118.61 1qo6 s TRP 81 Ca 0.60 0.14 0.11 0.00 -1.06 0.00 0.00 56.10 55.90 1qo6 s TRP 81 Cb -0.64 0.01 -0.05 0.00 -1.16 0.00 0.00 33.47 31.62 1qo6 s TRP 81 CO 0.58 -0.08 -0.16 0.00 -4.06 0.00 0.00 176.95 173.23 1qo6 s SER 83 N -3.47 6.68 -0.13 0.00 0.15 -1.26 0.13 113.70 115.80 1qo6 s SER 83 Ca 0.30 0.94 0.13 0.00 0.70 0.00 0.00 55.95 58.01 1qo6 s SER 83 Cb -0.06 -2.23 -0.18 0.00 -1.71 0.00 0.00 66.02 61.84 1qo6 s SER 83 CO 0.16 0.02 0.08 0.35 1.20 0.00 0.00 173.24 175.04 1qo6 n THR 84 N 0.31 0.90 -4.55 6.45 -2.24 -0.97 0.26 114.28 114.44 1qo6 n THR 84 Ca -0.03 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 60.83 1qo6 n THR 84 Cb 0.52 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.41 3.06 0.45 4.28 2.01 -1.26 -4.34 115.64 117.43 1qo6 s THR 85 Ca -0.07 -0.64 0.32 0.00 0.31 0.00 0.00 61.69 61.61 1qo6 s THR 85 Cb 0.05 -2.31 0.51 0.00 0.01 0.00 0.00 72.50 70.76 1qo6 s THR 85 CO 0.59 0.50 1.61 0.28 -0.69 0.00 0.00 174.62 176.92 1qo6 h SER 86 N 7.07 0.21 -3.54 3.53 0.02 -1.92 -2.58 113.55 116.33 1qo6 h SER 86 Ca -0.30 0.13 -0.73 0.00 -0.84 0.00 0.00 61.79 60.05 1qo6 h SER 86 Cb 1.20 0.12 -0.33 0.00 0.14 0.00 0.00 62.40 63.53 1qo6 h SER 86 CO 0.57 -0.19 -0.00 0.21 -1.14 0.00 0.00 176.83 176.28 1qo6 s ASN 87 N -4.39 6.22 0.32 3.07 2.47 -1.26 -4.76 114.94 116.60 1qo6 s ASN 87 Ca -0.07 -3.50 0.16 0.00 0.42 0.00 0.00 52.86 49.87 1qo6 s ASN 87 Cb 0.30 -1.99 0.34 0.00 -1.45 0.00 0.00 41.25 38.45 1qo6 s ASN 87 CO 0.83 -0.26 1.57 0.22 -3.72 0.00 0.00 177.10 175.74 1qo6 h TYR 88 N 6.42 0.00 0.00 0.43 5.03 -1.79 -1.28 116.97 125.78 1qo6 h TYR 88 Ca 0.13 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1qo6 h TYR 88 Cb 0.86 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.14 1qo6 h TYR 88 CO 0.75 0.47 0.00 0.39 -1.32 0.00 0.00 178.16 178.45 1qo6 n GLU 89 N -3.36 0.14 -0.07 1.82 1.02 -1.26 0.14 120.64 119.07 1qo6 n GLU 89 Ca 0.01 0.40 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 1qo6 n GLU 89 Cb 0.64 -1.78 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.04 0.30 0.04 3.49 -0.06 -1.12 -4.74 117.38 113.26 1qo6 n GLN 90 Ca 0.02 0.11 -0.17 0.00 -2.00 0.00 0.00 57.00 54.96 1qo6 n GLN 90 Cb 0.20 -1.07 -0.14 0.00 -4.06 0.00 0.00 30.24 25.17 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 -0.34 0.37 -4.84 1.69 3.32 -1.26 -3.48 116.42 111.87 1qo6 h ASP 91 Ca -0.33 -0.59 -0.32 0.00 0.02 0.00 0.00 57.03 55.82 1qo6 h ASP 91 Cb 1.35 -0.12 0.11 0.00 0.22 0.00 0.00 39.33 40.89 1qo6 h ASP 91 CO -0.16 1.50 -0.54 0.00 -1.72 0.00 0.00 179.24 178.32 1qo6 n GLN 92 N -3.42 -6.34 -3.77 3.56 6.02 0.38 -4.99 117.38 108.81 1qo6 n GLN 92 Ca -0.20 0.66 -0.36 0.00 -0.01 0.00 0.00 57.00 57.08 1qo6 n GLN 92 Cb 1.05 -5.18 -0.12 0.00 1.02 0.00 0.00 30.24 27.01 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qo6 s LYS 93 N -6.04 3.80 0.13 -1.09 3.01 -1.26 -5.07 119.74 113.22 1qo6 s LYS 93 Ca 0.47 -0.41 -0.02 0.00 -1.01 0.00 0.00 55.97 55.00 1qo6 s LYS 93 Cb -0.21 -3.39 -0.04 0.00 -1.01 0.00 0.00 37.83 33.19 1qo6 s LYS 93 CO 0.58 -0.08 0.07 1.52 0.51 0.00 0.00 175.35 177.94 1qo6 s TYR 94 N 1.38 0.81 0.41 3.18 -0.85 -1.26 -2.29 117.35 118.72 1qo6 s TYR 94 Ca 0.06 -1.19 0.04 0.00 -0.52 0.00 0.00 57.07 55.46 1qo6 s TYR 94 Cb -0.15 -0.44 -0.01 0.00 0.38 0.00 0.00 41.96 41.74 1qo6 s TYR 94 CO 0.05 -0.53 0.13 -1.13 -1.52 0.00 0.00 175.55 172.55 1qo6 n SER 95 N -0.09 1.42 -3.13 -0.18 3.41 0.36 -2.26 113.62 113.14 1qo6 n SER 95 Ca -0.06 -3.14 -0.09 0.00 -0.26 0.00 0.00 58.87 55.32 1qo6 n SER 95 Cb 0.63 0.96 0.02 0.00 -0.26 0.00 0.00 64.21 65.56 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 -0.93 -2.07 -3.63 7.33 3.72 -1.25 -0.90 117.46 119.72 1qo6 n PHE 96 Ca -0.07 -0.86 -0.05 0.00 -0.05 0.00 0.00 57.45 56.42 1qo6 n PHE 96 Cb 0.60 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 n THR 98 N 4.37 0.26 0.00 0.00 5.66 -1.20 -3.98 114.28 119.38 1qo6 n THR 98 Ca -0.18 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1qo6 n THR 98 Cb 0.57 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1qo6 n THR 98 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1qo6 n ASP 99 N -0.06 0.00 0.04 1.09 8.00 -1.26 -3.40 116.55 120.96 1qo6 n ASP 99 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1qo6 n ASP 99 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1qo6 n HIS 100 N 0.00 -1.36 0.23 1.24 -0.00 -1.26 -4.96 115.22 109.10 1qo6 n HIS 100 Ca 0.00 0.19 0.03 0.00 0.46 0.00 0.00 57.72 58.40 1qo6 n HIS 100 Cb 0.00 0.78 0.02 0.00 -0.12 0.00 0.00 29.99 30.67 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05