#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 4.63 3.59 2.72 0.00 -1.26 -5.08 105.19 109.79 1qo6 n GLY 2 Ca 0.00 -2.70 -0.41 0.00 0.00 0.00 0.00 46.02 42.91 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 1.33 0.92 -4.12 1.61 8.25 -1.26 -2.97 115.22 118.98 1qo6 n HIS 3 Ca 0.26 0.54 -0.26 0.00 -0.26 0.00 0.00 57.72 58.01 1qo6 n HIS 3 Cb 0.38 -2.19 -0.06 0.00 1.12 0.00 0.00 29.99 29.25 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 -1.83 0.14 -0.04 0.00 -7.23 -1.26 0.25 120.40 110.43 1qo6 s VAL 5 Ca 0.31 -1.41 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 1qo6 s VAL 5 Cb -0.09 -1.53 -0.32 0.00 0.56 0.00 0.00 36.38 35.00 1qo6 s VAL 5 CO 0.23 -0.65 0.76 0.71 -0.31 0.00 0.00 175.10 175.84 1qo6 h THR 6 N 2.81 1.12 0.00 5.32 1.35 -1.98 -3.48 112.91 118.05 1qo6 h THR 6 Ca -0.34 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 1qo6 h THR 6 Cb 1.19 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 1qo6 h THR 6 CO 0.57 0.80 0.00 -0.67 -0.25 0.00 0.00 175.52 175.97 1qo6 n ASP 7 N -3.76 0.00 0.00 5.36 -0.08 -1.26 -5.04 116.55 111.77 1qo6 n ASP 7 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1qo6 n ASP 7 Cb 1.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.48 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1qo6 n SER 8 N -0.72 0.00 0.00 1.67 2.88 -1.26 -5.06 113.62 111.13 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 -0.42 3.89 0.46 0.00 -1.26 -5.14 105.19 102.73 1qo6 n GLY 9 Ca 0.00 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.86 5.08 -0.37 1.61 1.01 -1.26 -5.05 120.40 119.56 1qo6 s VAL 10 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1qo6 s VAL 10 Cb 0.00 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.87 1qo6 s VAL 10 CO 0.00 -0.01 0.12 -0.69 0.00 0.00 0.00 175.10 174.52 1qo6 s VAL 11 N -1.72 1.74 0.08 2.92 1.01 -1.26 -4.10 120.40 119.07 1qo6 s VAL 11 Ca 0.43 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1qo6 s VAL 11 Cb -0.12 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1qo6 s VAL 11 CO 0.23 -0.69 0.11 -1.22 0.00 0.00 0.00 175.10 173.53 1qo6 n TYR 12 N 4.20 -3.25 -3.82 5.22 4.01 0.68 -4.90 117.16 119.30 1qo6 n TYR 12 Ca 0.03 -0.21 -0.13 0.00 -0.16 0.00 0.00 57.90 57.43 1qo6 n TYR 12 Cb 0.40 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.45 0.02 -0.58 7.72 0.01 -1.26 -1.40 113.70 116.76 1qo6 s SER 13 Ca 0.07 0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.33 1qo6 s SER 13 Cb -0.00 -0.01 -0.20 0.00 0.21 0.00 0.00 66.02 66.02 1qo6 s SER 13 CO 0.05 -0.07 1.33 0.55 0.41 0.00 0.00 173.24 175.51 1qo6 n VAL 14 N 3.63 0.00 0.00 3.43 3.14 -1.16 0.97 118.33 128.35 1qo6 n VAL 14 Ca -0.20 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 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 3.56 1.22 0.10 7.55 0.00 -0.05 -5.00 105.19 112.56 1qo6 n GLY 15 Ca 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.19 0.67 -1.72 1.61 2.00 0.27 -5.03 117.12 114.74 1qo6 n MET 16 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1qo6 n MET 16 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 31.47 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 -3.15 -4.53 -2.81 0.03 6.02 -1.26 -5.01 117.38 106.67 1qo6 n GLN 17 Ca -0.22 3.35 -0.03 0.00 -0.01 0.00 0.00 57.00 60.09 1qo6 n GLN 17 Cb 1.06 -3.81 0.01 0.00 1.02 0.00 0.00 30.24 28.52 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 -0.56 -1.23 -3.84 1.08 2.14 0.16 -5.00 117.44 110.20 1qo6 n TRP 18 Ca 0.00 -0.84 -0.29 0.00 2.07 0.00 0.00 57.50 58.44 1qo6 n TRP 18 Cb 0.00 0.41 -0.16 0.00 -0.81 0.00 0.00 31.31 30.75 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 2.20 0.40 5.67 2.96 -1.26 -1.15 118.68 127.51 1qo6 s LEU 19 Ca 0.12 -1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 52.58 1qo6 s LEU 19 Cb -0.02 -0.96 -0.10 0.00 0.50 0.00 0.00 46.19 45.61 1qo6 s LEU 19 CO 0.04 -0.31 0.96 -0.75 -1.32 0.00 0.00 176.35 174.98 1qo6 s LYS 20 N 1.56 4.29 0.25 1.98 2.47 0.75 -4.83 119.74 126.20 1qo6 s LYS 20 Ca 0.00 1.22 -0.01 0.00 -1.56 0.00 0.00 55.97 55.62 1qo6 s LYS 20 Cb -0.18 -2.37 -0.03 0.00 -1.46 0.00 0.00 37.83 33.80 1qo6 s LYS 20 CO -0.11 0.01 0.26 0.95 0.16 0.00 0.00 175.35 176.62 1qo6 s THR 21 N -1.97 0.00 0.00 3.43 -4.23 -1.26 -0.32 115.64 111.28 1qo6 s THR 21 Ca 0.59 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1qo6 s THR 21 Cb -0.13 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1qo6 s THR 21 CO 0.18 0.00 0.43 0.00 -0.54 0.00 0.00 174.62 174.69 1qo6 n GLN 22 N -0.39 0.21 -0.33 3.99 6.02 -1.26 -4.99 117.38 120.63 1qo6 n GLN 22 Ca 0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 1qo6 n GLN 22 Cb 0.64 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 31.35 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 -0.04 2.10 0.00 1.08 0.00 -1.26 -4.71 105.19 102.36 1qo6 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.40 0.00 1.61 4.13 -1.26 -5.11 115.26 119.04 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1qo6 n ASN 24 Cb 0.00 0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1qo6 n LYS 25 N -1.96 0.95 -3.89 3.52 2.85 -1.26 -5.19 118.16 113.18 1qo6 n LYS 25 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 1qo6 n LYS 25 Cb 0.46 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.75 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1qo6 s GLN 26 N 1.49 0.64 -0.29 -1.58 1.11 -1.26 -4.15 119.66 115.62 1qo6 s GLN 26 Ca 0.00 -0.70 -0.15 0.00 0.01 0.00 0.00 55.36 54.52 1qo6 s GLN 26 Cb 0.00 0.26 0.12 0.00 -1.01 0.00 0.00 33.01 32.38 1qo6 s GLN 26 CO 0.00 -0.17 0.83 1.41 0.01 0.00 0.00 175.29 177.36 1qo6 s MET 27 N -2.59 0.52 -0.38 2.91 1.75 0.56 0.25 119.30 122.32 1qo6 s MET 27 Ca -0.05 0.98 -0.20 0.00 -1.25 0.00 0.00 55.69 55.17 1qo6 s MET 27 Cb -0.01 0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.89 1qo6 s MET 27 CO -0.04 -0.12 0.63 -1.17 -0.65 0.00 0.00 175.02 173.66 1qo6 s LEU 28 N 1.74 4.33 0.04 4.11 2.96 -0.96 0.27 118.68 131.17 1qo6 s LEU 28 Ca -0.08 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1qo6 s LEU 28 Cb -0.05 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1qo6 s LEU 28 CO -0.18 -0.64 0.04 0.00 -1.32 0.00 0.00 176.35 174.25 1qo6 s THR 30 N -1.24 -0.01 -0.40 0.00 2.01 0.55 -0.66 115.64 115.89 1qo6 s THR 30 Ca 0.24 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1qo6 s THR 30 Cb -0.12 -0.55 0.05 0.00 0.01 0.00 0.00 72.50 71.89 1qo6 s THR 30 CO 0.16 0.01 0.24 0.00 -0.69 0.00 0.00 174.62 174.34 1qo6 n LEU 32 N 4.97 0.00 0.00 0.00 -0.00 -1.04 -0.87 117.00 120.06 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 0.38 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.38 1qo6 n GLY 33 N 3.52 0.00 0.08 1.47 0.00 -1.26 -4.10 105.19 104.90 1qo6 n GLY 33 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.01 -3.49 115.58 110.62 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 0.89 0.00 0.61 0.07 0.00 0.00 177.43 179.00 1qo6 n GLY 35 N 1.35 2.13 2.69 9.14 0.00 -1.26 -5.14 105.19 114.09 1qo6 n GLY 35 Ca -0.02 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 0.72 0.22 0.15 1.61 1.01 -1.26 -2.49 120.40 120.35 1qo6 s VAL 36 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1qo6 s VAL 36 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1qo6 s VAL 36 CO 0.00 -0.13 0.24 -0.55 0.00 0.00 0.00 175.10 174.66 1qo6 s SER 37 N 2.01 6.10 0.33 3.32 0.15 0.28 -4.85 113.70 121.04 1qo6 s SER 37 Ca 0.02 0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.75 1qo6 s SER 37 Cb -0.16 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1qo6 s SER 37 CO -0.07 0.06 0.44 0.00 1.20 0.00 0.00 173.24 174.86 1qo6 s GLN 39 N -2.83 0.56 -0.56 0.00 2.00 0.27 -4.94 119.66 114.16 1qo6 s GLN 39 Ca 0.29 -0.74 -0.33 0.00 -2.00 0.00 0.00 55.36 52.59 1qo6 s GLN 39 Cb -0.01 -1.83 -0.14 0.00 0.80 0.00 0.00 33.01 31.84 1qo6 s GLN 39 CO 0.21 -0.89 2.36 -0.85 -0.50 0.00 0.00 175.29 175.63 1qo6 n GLU 40 N 5.01 0.71 0.00 1.67 0.28 -1.26 -2.27 120.64 124.78 1qo6 n GLU 40 Ca -0.05 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1qo6 n GLU 40 Cb 0.44 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 30.95 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 7.40 0.00 -0.49 3.84 -1.04 0.14 -4.17 114.28 119.95 1qo6 n THR 41 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1qo6 n THR 41 Cb 0.23 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 -0.96 -4.54 120.51 116.41 1qo6 n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qo6 n ALA 42 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.49 0.00 -0.19 0.00 0.24 -1.26 -4.68 118.33 109.95 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 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1qo6 n THR 44 N -1.52 0.00 -4.38 3.34 5.66 -1.26 -4.93 114.28 111.19 1qo6 n THR 44 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1qo6 n THR 44 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qo6 s GLN 45 N -1.99 1.99 0.03 1.09 -0.21 -1.26 -5.00 119.66 114.30 1qo6 s GLN 45 Ca 0.00 -1.57 -0.10 0.00 0.02 0.00 0.00 55.36 53.71 1qo6 s GLN 45 Cb 0.00 -1.98 0.01 0.00 1.00 0.00 0.00 33.01 32.04 1qo6 s GLN 45 CO 0.00 0.35 0.20 0.95 -2.12 0.00 0.00 175.29 174.67 1qo6 s THR 46 N -2.36 0.10 0.28 -0.19 -4.23 -1.25 -3.36 115.64 104.62 1qo6 s THR 46 Ca 0.30 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1qo6 s THR 46 Cb -0.06 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.95 1qo6 s THR 46 CO 0.17 -0.45 0.38 -0.72 -0.54 0.00 0.00 174.62 173.46 1qo6 s TYR 47 N -2.27 0.94 0.00 3.99 -0.85 -1.23 -4.18 117.35 113.74 1qo6 s TYR 47 Ca -0.07 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.30 1qo6 s TYR 47 Cb -0.02 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.15 1qo6 s TYR 47 CO -0.02 -0.95 0.00 0.41 -1.52 0.00 0.00 175.55 173.47 1qo6 n GLY 48 N -0.44 0.75 7.00 5.49 0.00 -0.87 -3.43 105.19 113.69 1qo6 n GLY 48 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1qo6 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qo6 n GLY 49 N 0.00 -0.64 0.09 -0.02 0.00 -1.26 0.24 105.19 103.60 1qo6 n GLY 49 Ca 0.00 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.10 0.70 -0.00 1.61 2.85 -1.19 -3.29 115.26 114.84 1qo6 n ASN 50 Ca 0.00 0.57 0.05 0.00 -0.11 0.00 0.00 54.58 55.08 1qo6 n ASN 50 Cb 0.00 -0.76 -0.06 0.00 1.24 0.00 0.00 39.78 40.21 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 -2.16 0.47 0.00 1.20 7.64 -1.08 -4.87 113.62 114.82 1qo6 n SER 51 Ca 0.06 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1qo6 n SER 51 Cb 0.41 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 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 -1.23 -3.27 0.00 6.43 5.15 0.64 -3.60 115.26 119.39 1qo6 n ASN 52 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1qo6 n ASN 52 Cb 0.15 -2.07 0.00 0.00 -0.53 0.00 0.00 39.78 37.33 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 -1.02 0.71 3.99 8.20 0.00 -0.65 -2.04 105.19 114.38 1qo6 n GLY 53 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.09 2.79 0.16 1.61 2.02 -1.24 -4.67 118.70 119.29 1qo6 s GLU 54 Ca 0.00 -1.28 -0.32 0.00 0.02 0.00 0.00 54.97 53.39 1qo6 s GLU 54 Cb 0.00 -2.70 -0.10 0.00 0.10 0.00 0.00 34.13 31.43 1qo6 s GLU 54 CO 0.00 -0.25 1.61 -2.14 0.02 0.00 0.00 175.26 174.50 1qo6 s PRO 55 N -4.31 4.20 1.13 0.39 0.02 -1.26 -4.74 135.00 130.43 1qo6 s PRO 55 Ca 0.54 2.40 -0.18 0.00 0.02 0.00 0.00 61.00 63.78 1qo6 s PRO 55 Cb -0.09 -3.20 0.26 0.00 0.02 0.00 0.00 34.50 31.49 1qo6 s PRO 55 CO 0.32 -0.65 1.16 0.00 -0.33 0.00 0.00 177.00 177.50 1qo6 n VAL 57 N -4.48 0.81 -3.81 0.00 3.14 0.70 -4.82 118.33 109.88 1qo6 n VAL 57 Ca 0.13 -4.88 -0.22 0.00 -2.96 0.00 0.00 64.34 56.42 1qo6 n VAL 57 Cb 0.59 -0.67 -0.04 0.00 -1.06 0.00 0.00 33.84 32.66 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 -2.70 3.45 -0.02 6.55 -0.00 -1.26 -3.80 118.68 120.90 1qo6 s LEU 58 Ca 0.43 -0.65 -0.30 0.00 -0.00 0.00 0.00 54.13 53.61 1qo6 s LEU 58 Cb 0.32 -2.04 -0.05 0.00 -0.00 0.00 0.00 46.19 44.42 1qo6 s LEU 58 CO -0.10 -0.44 1.37 -2.16 -0.00 0.00 0.00 176.35 175.03 1qo6 s PRO 59 N -4.00 4.29 0.48 1.48 0.04 -1.26 -4.96 135.00 131.06 1qo6 s PRO 59 Ca 0.42 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.43 1qo6 s PRO 59 Cb -0.04 -3.59 0.05 0.00 0.04 0.00 0.00 34.50 30.97 1qo6 s PRO 59 CO 0.26 -0.57 0.44 1.97 0.04 0.00 0.00 177.00 179.14 1qo6 n PHE 60 N 5.44 -1.15 -4.78 0.56 1.16 -0.79 -4.86 117.46 113.04 1qo6 n PHE 60 Ca 0.13 -1.95 -0.30 0.00 -1.87 0.00 0.00 57.45 53.46 1qo6 n PHE 60 Cb 0.44 -0.41 -0.17 0.00 -1.61 0.00 0.00 39.48 37.73 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 -2.28 1.75 -0.04 1.97 2.01 -1.26 -1.69 115.64 116.10 1qo6 s THR 61 Ca 0.33 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1qo6 s THR 61 Cb -0.03 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.96 1qo6 s THR 61 CO 0.21 0.49 0.01 -0.47 -0.69 0.00 0.00 174.62 174.17 1qo6 s TYR 62 N 0.68 0.38 0.00 4.92 5.04 -0.30 -4.78 117.35 123.29 1qo6 s TYR 62 Ca -0.12 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 1qo6 s TYR 62 Cb -0.16 -0.52 0.00 0.00 0.35 0.00 0.00 41.96 41.63 1qo6 s TYR 62 CO 0.03 -0.18 0.00 0.09 -1.34 0.00 0.00 175.55 174.14 1qo6 n ASN 63 N 4.51 -2.92 0.00 4.32 3.02 -1.26 -2.15 115.26 120.78 1qo6 n ASN 63 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1qo6 n ASN 63 Cb 0.50 -1.95 0.00 0.00 -0.61 0.00 0.00 39.78 37.72 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 -1.18 2.50 0.53 7.41 0.00 -1.26 -5.09 105.19 108.10 1qo6 n GLY 64 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.67 0.85 -4.01 1.61 0.00 -0.91 -5.06 116.66 108.46 1qo6 n ARG 65 Ca 0.00 -0.41 -0.11 0.00 -0.00 0.00 0.00 57.85 57.33 1qo6 n ARG 65 Cb 0.00 -0.05 -0.12 0.00 -0.00 0.00 0.00 32.46 32.30 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 0.35 0.28 -0.02 8.89 2.01 -1.26 -1.15 115.64 124.74 1qo6 s THR 66 Ca 0.08 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1qo6 s THR 66 Cb -0.01 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 72.15 1qo6 s THR 66 CO 0.05 -0.37 0.02 -0.36 -0.69 0.00 0.00 174.62 173.27 1qo6 s PHE 67 N -1.22 0.15 -0.33 4.92 0.40 -0.68 -4.97 117.98 116.25 1qo6 s PHE 67 Ca -0.11 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1qo6 s PHE 67 Cb -0.09 -0.30 0.43 0.00 0.51 0.00 0.00 43.02 43.57 1qo6 s PHE 67 CO -0.00 -0.10 1.70 0.66 0.70 0.00 0.00 175.22 178.17 1qo6 n TYR 68 N 4.11 2.12 -0.81 0.36 4.02 -1.26 -1.88 117.16 123.82 1qo6 n TYR 68 Ca -0.27 -1.59 0.00 0.00 -0.01 0.00 0.00 57.90 56.03 1qo6 n TYR 68 Cb 0.51 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 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 -0.54 0.00 -4.37 7.72 7.64 -1.26 -4.77 113.62 118.04 1qo6 n SER 69 Ca 0.41 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.95 1qo6 n SER 69 Cb 1.18 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 64.48 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 -2.28 0.00 -0.47 0.00 -1.32 -0.16 -4.83 115.64 106.58 1qo6 s THR 71 Ca 0.56 -0.73 0.08 0.00 -1.21 0.00 0.00 61.69 60.40 1qo6 s THR 71 Cb -0.23 -1.91 0.31 0.00 -1.51 0.00 0.00 72.50 69.16 1qo6 s THR 71 CO 0.68 0.00 0.75 0.35 -2.21 0.00 0.00 174.62 174.19 1qo6 n THR 72 N -0.45 0.99 -0.05 5.08 -2.24 -1.26 -0.42 114.28 115.92 1qo6 n THR 72 Ca -0.06 -4.84 0.01 0.00 -2.27 0.00 0.00 64.05 56.90 1qo6 n THR 72 Cb 0.60 -1.20 0.03 0.00 -2.10 0.00 0.00 70.33 67.67 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 0.45 2.96 -0.02 -0.78 -0.58 -1.26 -4.60 120.64 116.81 1qo6 n GLU 73 Ca 0.27 -1.62 0.01 0.00 -0.42 0.00 0.00 57.16 55.40 1qo6 n GLU 73 Cb 0.52 -1.06 0.02 0.00 -0.57 0.00 0.00 31.44 30.35 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 -0.32 1.98 3.20 0.62 0.00 -1.26 -5.07 105.19 104.34 1qo6 n GLY 74 Ca 0.02 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.49 0.59 -0.01 1.61 0.00 -1.26 -5.06 116.66 112.04 1qo6 n ARG 75 Ca 0.02 -3.30 0.01 0.00 -0.00 0.00 0.00 57.85 54.58 1qo6 n ARG 75 Cb 0.35 1.82 0.01 0.00 -0.00 0.00 0.00 32.46 34.64 1qo6 n ARG 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1qo6 n GLN 76 N -0.87 0.42 0.00 2.89 1.13 -1.26 -4.86 117.38 114.84 1qo6 n GLN 76 Ca -0.05 -0.91 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 1qo6 n GLN 76 Cb 0.59 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.90 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1qo6 n ASP 77 N -0.05 0.00 0.00 1.08 8.00 -1.26 -5.08 116.55 119.24 1qo6 n ASP 77 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1qo6 n ASP 77 Cb 0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qo6 n GLY 78 N 2.78 0.00 3.66 0.44 0.00 -1.26 -5.14 105.19 105.67 1qo6 n GLY 78 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.34 0.33 1.61 0.09 -1.26 -4.99 115.29 114.41 1qo6 s HIS 79 Ca 0.00 0.46 -0.29 0.00 -0.00 0.00 0.00 55.06 55.23 1qo6 s HIS 79 Cb 0.00 -2.44 -0.10 0.00 -0.00 0.00 0.00 32.58 30.04 1qo6 s HIS 79 CO 0.00 -0.00 1.33 -0.51 -0.00 0.00 0.00 174.74 175.56 1qo6 s LEU 80 N 1.28 4.42 0.26 0.89 1.02 -1.26 -4.50 118.68 120.79 1qo6 s LEU 80 Ca 0.15 2.71 -0.03 0.00 0.02 0.00 0.00 54.13 56.97 1qo6 s LEU 80 Cb -0.14 -3.65 -0.02 0.00 0.02 0.00 0.00 46.19 42.40 1qo6 s LEU 80 CO 0.07 -0.57 0.32 -1.66 0.02 0.00 0.00 176.35 174.53 1qo6 s TRP 81 N -1.05 1.00 0.22 0.29 1.48 0.44 0.22 118.94 121.54 1qo6 s TRP 81 Ca 0.50 -1.22 -0.22 0.00 -1.06 0.00 0.00 56.10 54.10 1qo6 s TRP 81 Cb -0.40 -0.27 0.04 0.00 -1.16 0.00 0.00 33.47 31.68 1qo6 s TRP 81 CO 0.53 -0.88 0.67 0.00 -4.06 0.00 0.00 176.95 173.21 1qo6 s SER 83 N -2.84 6.18 0.00 0.00 1.04 -1.26 0.21 113.70 117.03 1qo6 s SER 83 Ca 0.07 0.20 0.19 0.00 0.48 0.00 0.00 55.95 56.89 1qo6 s SER 83 Cb -0.04 -2.09 0.84 0.00 0.10 0.00 0.00 66.02 64.83 1qo6 s SER 83 CO -0.02 0.15 1.62 0.35 0.98 0.00 0.00 173.24 176.32 1qo6 n THR 84 N 3.71 0.65 -3.94 2.02 -2.24 -1.03 0.25 114.28 113.70 1qo6 n THR 84 Ca -0.16 0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1qo6 n THR 84 Cb 0.52 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 1qo6 n THR 84 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qo6 s THR 85 N -2.97 0.03 0.02 4.28 -1.32 -1.26 -4.48 115.64 109.94 1qo6 s THR 85 Ca 0.10 -1.31 -0.08 0.00 -1.21 0.00 0.00 61.69 59.19 1qo6 s THR 85 Cb 0.13 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.12 1qo6 s THR 85 CO 0.35 -0.14 1.12 -1.28 -2.21 0.00 0.00 174.62 172.47 1qo6 h SER 86 N 2.37 -0.31 -0.51 8.08 0.87 -1.88 -3.33 113.55 118.83 1qo6 h SER 86 Ca -0.29 0.02 -0.23 0.00 -1.23 0.00 0.00 61.79 60.06 1qo6 h SER 86 Cb 1.24 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1qo6 h SER 86 CO 0.41 -0.15 0.66 0.21 -0.53 0.00 0.00 176.83 177.44 1qo6 s ASN 87 N -2.71 4.73 0.01 6.23 2.47 -1.26 -4.68 114.94 119.74 1qo6 s ASN 87 Ca -0.04 -0.93 -0.02 0.00 0.42 0.00 0.00 52.86 52.28 1qo6 s ASN 87 Cb 0.01 -2.57 -0.27 0.00 -1.45 0.00 0.00 41.25 36.96 1qo6 s ASN 87 CO 0.13 -3.25 0.89 0.22 -3.72 0.00 0.00 177.10 171.37 1qo6 h TYR 88 N 11.01 0.43 0.00 0.43 3.20 -1.91 -2.54 116.97 127.59 1qo6 h TYR 88 Ca 0.11 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1qo6 h TYR 88 Cb 0.98 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1qo6 h TYR 88 CO 1.18 1.35 0.00 0.39 -1.64 0.00 0.00 178.16 179.45 1qo6 n GLU 89 N -3.45 0.31 -0.08 1.82 1.02 -1.26 0.24 120.64 119.24 1qo6 n GLU 89 Ca -0.15 0.10 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 1qo6 n GLU 89 Cb 1.04 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.90 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 -1.25 0.38 0.14 3.49 -0.06 -1.23 -4.72 117.38 114.13 1qo6 n GLN 90 Ca 0.10 0.17 -0.23 0.00 -2.00 0.00 0.00 57.00 55.03 1qo6 n GLN 90 Cb 0.14 -1.14 -0.16 0.00 -4.06 0.00 0.00 30.24 25.02 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 -0.65 0.78 0.00 1.69 3.32 -1.48 -3.47 116.42 116.60 1qo6 h ASP 91 Ca -0.40 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 55.80 1qo6 h ASP 91 Cb 1.30 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1qo6 h ASP 91 CO -0.24 1.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.94 1qo6 n GLN 92 N -3.68 -0.02 -2.55 3.56 1.13 0.14 -4.96 117.38 111.00 1qo6 n GLN 92 Ca -0.16 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.47 1qo6 n GLN 92 Cb 1.09 -3.22 -0.02 0.00 0.11 0.00 0.00 30.24 28.20 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1qo6 s LYS 93 N -0.37 3.93 0.45 -1.09 0.00 -1.26 -5.00 119.74 116.40 1qo6 s LYS 93 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 55.97 57.01 1qo6 s LYS 93 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 37.83 33.97 1qo6 s LYS 93 CO 0.00 -1.10 0.04 1.52 0.00 0.00 0.00 175.35 175.81 1qo6 s TYR 94 N 4.13 1.96 -0.01 1.78 -0.85 -1.26 -2.48 117.35 120.62 1qo6 s TYR 94 Ca 0.50 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1qo6 s TYR 94 Cb -0.13 -1.49 0.01 0.00 0.38 0.00 0.00 41.96 40.74 1qo6 s TYR 94 CO 0.22 0.11 0.00 -1.12 -1.52 0.00 0.00 175.55 173.24 1qo6 s SER 95 N -3.74 0.21 1.14 -0.18 0.01 0.57 -2.63 113.70 109.08 1qo6 s SER 95 Ca 0.18 -0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.25 1qo6 s SER 95 Cb 0.04 -0.09 0.26 0.00 0.21 0.00 0.00 66.02 66.44 1qo6 s SER 95 CO 0.10 -0.05 1.15 -0.36 0.41 0.00 0.00 173.24 174.48 1qo6 s PHE 96 N 0.54 0.81 0.01 2.43 0.08 -1.22 0.18 117.98 120.81 1qo6 s PHE 96 Ca -0.05 0.49 0.03 0.00 0.12 0.00 0.00 56.93 57.53 1qo6 s PHE 96 Cb -0.07 -3.56 -0.01 0.00 -0.57 0.00 0.00 43.02 38.80 1qo6 s PHE 96 CO -0.01 -3.58 -0.11 0.00 -0.10 0.00 0.00 175.22 171.42 1qo6 n THR 98 N 2.39 0.00 0.00 0.00 -2.24 -1.21 -4.48 114.28 108.73 1qo6 n THR 98 Ca -0.16 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1qo6 n THR 98 Cb 0.56 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.00 0.00 0.00 3.42 9.92 -1.26 -4.70 116.55 123.93 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1qo6 n HIS 100 N 0.00 0.00 -1.99 1.24 -0.00 -1.26 -5.23 115.22 107.99 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1qo6 n HIS 100 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43