#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 s GLY 2 N 0.00 1.45 0.57 2.72 0.00 -1.26 -5.01 107.32 105.79 1qo6 s GLY 2 Ca 0.00 -2.03 -0.16 0.00 0.00 0.00 0.00 44.72 42.53 1qo6 s GLY 2 CO 0.00 2.13 1.04 0.30 0.00 0.00 0.00 173.10 176.57 1qo6 s HIS 3 N 3.95 3.13 -0.21 1.90 3.76 -1.26 -1.98 115.29 124.58 1qo6 s HIS 3 Ca 0.27 1.50 -0.04 0.00 -0.15 0.00 0.00 55.06 56.64 1qo6 s HIS 3 Cb -0.13 -2.94 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 1qo6 s HIS 3 CO 0.05 -0.89 -0.04 0.00 -0.85 0.00 0.00 174.74 173.01 1qo6 s VAL 5 N 1.25 1.83 0.00 0.00 1.01 -1.26 0.28 120.40 123.50 1qo6 s VAL 5 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1qo6 s VAL 5 Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1qo6 s VAL 5 CO -0.01 0.52 0.07 0.35 0.00 0.00 0.00 175.10 176.03 1qo6 n THR 6 N 2.72 0.00 -0.02 3.92 -2.24 -1.24 -4.90 114.28 112.51 1qo6 n THR 6 Ca -0.16 0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1qo6 n THR 6 Cb 0.52 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qo6 n ASP 7 N -0.33 3.15 0.00 3.42 5.68 -1.26 -5.02 116.55 122.20 1qo6 n ASP 7 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1qo6 n ASP 7 Cb 0.00 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1qo6 n SER 8 N -2.73 0.00 0.00 -1.12 2.88 -1.26 -5.06 113.62 106.33 1qo6 n SER 8 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1qo6 n SER 8 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.11 3.06 0.46 0.00 -1.26 -5.04 105.19 102.52 1qo6 n GLY 9 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.02 3.03 -1.16 1.61 1.01 -1.26 -5.03 120.40 117.58 1qo6 s VAL 10 Ca 0.00 -2.57 -0.19 0.00 0.00 0.00 0.00 61.98 59.21 1qo6 s VAL 10 Cb 0.00 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.37 1qo6 s VAL 10 CO 0.00 -0.74 1.55 -0.69 0.00 0.00 0.00 175.10 175.23 1qo6 s VAL 11 N 0.53 4.19 0.28 2.92 1.01 -1.26 -3.70 120.40 124.38 1qo6 s VAL 11 Ca 0.13 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.51 1qo6 s VAL 11 Cb -0.22 -5.09 0.07 0.00 0.00 0.00 0.00 36.38 31.15 1qo6 s VAL 11 CO -0.04 -1.91 0.25 -1.22 0.00 0.00 0.00 175.10 172.18 1qo6 n TYR 12 N 8.14 -3.20 -3.98 5.22 4.01 0.79 -4.79 117.16 123.35 1qo6 n TYR 12 Ca 0.40 -0.23 -0.12 0.00 -0.16 0.00 0.00 57.90 57.80 1qo6 n TYR 12 Cb 0.48 -0.26 -0.12 0.00 -0.31 0.00 0.00 39.34 39.12 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qo6 s SER 13 N -2.18 0.32 -0.74 7.72 0.01 -1.26 -1.05 113.70 116.51 1qo6 s SER 13 Ca 0.16 -0.29 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 1qo6 s SER 13 Cb -0.02 0.03 -0.24 0.00 0.21 0.00 0.00 66.02 66.01 1qo6 s SER 13 CO 0.12 -0.14 1.87 0.55 0.41 0.00 0.00 173.24 176.06 1qo6 n VAL 14 N 2.23 0.00 0.00 3.43 3.14 -0.84 -0.10 118.33 126.19 1qo6 n VAL 14 Ca -0.18 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1qo6 n VAL 14 Cb 0.57 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 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 5.34 1.77 2.65 7.55 0.00 -0.50 -5.00 105.19 117.00 1qo6 n GLY 15 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.23 3.03 -0.65 1.61 2.00 0.86 -5.03 117.12 118.71 1qo6 n MET 16 Ca 0.00 -3.88 -0.26 0.00 0.00 0.00 0.00 57.70 53.56 1qo6 n MET 16 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 33.22 30.92 1qo6 n MET 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1qo6 n GLN 17 N -0.57 0.00 -3.18 0.03 7.27 -1.26 -4.86 117.38 114.81 1qo6 n GLN 17 Ca 0.49 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.46 1qo6 n GLN 17 Cb 0.47 -0.65 -0.04 0.00 2.41 0.00 0.00 30.24 32.43 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46 1qo6 n TRP 18 N 0.69 -0.64 -3.78 3.69 2.14 -0.13 -5.03 117.44 114.39 1qo6 n TRP 18 Ca 0.09 -1.53 -0.13 0.00 2.07 0.00 0.00 57.50 58.00 1qo6 n TRP 18 Cb 0.03 0.22 -0.13 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 1.04 0.34 5.67 2.96 -1.26 -1.55 118.68 125.87 1qo6 s LEU 19 Ca 0.21 0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 1qo6 s LEU 19 Cb 0.01 0.52 -0.04 0.00 0.50 0.00 0.00 46.19 47.17 1qo6 s LEU 19 CO 0.15 -0.10 0.15 -1.59 -1.32 0.00 0.00 176.35 173.64 1qo6 s LYS 20 N 0.60 2.42 -0.03 1.98 -2.85 0.44 -4.87 119.74 117.43 1qo6 s LYS 20 Ca -0.04 -1.51 0.01 0.00 -1.00 0.00 0.00 55.97 53.43 1qo6 s LYS 20 Cb -0.06 -2.21 0.01 0.00 -2.06 0.00 0.00 37.83 33.51 1qo6 s LYS 20 CO -0.03 0.12 -0.04 0.95 0.10 0.00 0.00 175.35 176.45 1qo6 s THR 21 N -2.40 0.41 -2.14 3.79 -4.23 -1.26 -1.47 115.64 108.34 1qo6 s THR 21 Ca 0.38 -0.12 0.16 0.00 -1.18 0.00 0.00 61.69 60.93 1qo6 s THR 21 Cb -0.03 -0.42 0.39 0.00 1.34 0.00 0.00 72.50 73.78 1qo6 s THR 21 CO 0.23 0.17 1.43 0.00 -0.54 0.00 0.00 174.62 175.91 1qo6 n GLN 22 N 3.65 1.68 0.00 3.99 1.13 -1.26 -4.93 117.38 121.65 1qo6 n GLN 22 Ca -0.21 -1.04 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 1qo6 n GLN 22 Cb 0.53 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.56 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 1.06 3.10 0.00 1.08 0.00 -1.26 -4.63 105.19 104.53 1qo6 n GLY 23 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.14 1.17 -2.35 1.61 4.13 -1.26 -5.07 115.26 114.64 1qo6 n ASN 24 Ca 0.00 -1.44 -0.07 0.00 1.68 0.00 0.00 54.58 54.75 1qo6 n ASN 24 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1qo6 n LYS 25 N -0.22 1.31 -3.78 3.52 5.02 -1.26 -5.16 118.16 117.59 1qo6 n LYS 25 Ca 0.00 -0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 55.26 1qo6 n LYS 25 Cb 0.22 0.33 -0.17 0.00 -0.02 0.00 0.00 35.03 35.39 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 -2.40 0.20 -0.07 1.97 -0.21 -1.26 -4.01 119.66 113.89 1qo6 s GLN 26 Ca 0.02 0.21 -0.01 0.00 0.02 0.00 0.00 55.36 55.60 1qo6 s GLN 26 Cb 0.00 -0.59 0.03 0.00 1.00 0.00 0.00 33.01 33.45 1qo6 s GLN 26 CO 0.02 -0.25 -0.02 -1.64 -2.12 0.00 0.00 175.29 171.28 1qo6 s MET 27 N 1.68 0.74 -0.25 2.91 -1.94 -0.54 0.12 119.30 122.03 1qo6 s MET 27 Ca -0.01 0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.87 1qo6 s MET 27 Cb -0.13 -0.98 -0.05 0.00 2.01 0.00 0.00 34.83 35.69 1qo6 s MET 27 CO -0.03 -0.23 0.24 -1.17 -0.01 0.00 0.00 175.02 173.81 1qo6 s LEU 28 N 1.63 4.09 -0.08 -0.03 2.96 -0.89 0.17 118.68 126.53 1qo6 s LEU 28 Ca 0.00 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1qo6 s LEU 28 Cb -0.13 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1qo6 s LEU 28 CO -0.04 -0.02 -0.08 0.00 -1.32 0.00 0.00 176.35 174.89 1qo6 s THR 30 N -0.58 0.07 -0.33 0.00 2.01 0.27 -0.95 115.64 116.13 1qo6 s THR 30 Ca 0.09 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1qo6 s THR 30 Cb -0.12 -0.21 0.07 0.00 0.01 0.00 0.00 72.50 72.26 1qo6 s THR 30 CO 0.02 -0.33 0.05 0.00 -0.69 0.00 0.00 174.62 173.67 1qo6 n LEU 32 N 4.58 0.00 0.00 0.00 -0.00 -1.13 -1.40 117.00 119.05 1qo6 n LEU 32 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 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 0.28 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.28 1qo6 n GLY 33 N 3.31 -0.00 0.10 1.47 0.00 -1.26 -4.29 105.19 104.53 1qo6 n GLY 33 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.78 0.00 0.61 0.07 0.00 0.00 177.43 178.89 1qo6 n GLY 35 N 0.93 1.60 2.88 9.14 0.00 -1.26 -5.15 105.19 113.32 1qo6 n GLY 35 Ca -0.00 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 1.41 -0.31 0.06 1.61 1.01 -1.26 -2.82 120.40 120.10 1qo6 s VAL 36 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1qo6 s VAL 36 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1qo6 s VAL 36 CO 0.00 0.11 -0.04 -0.55 0.00 0.00 0.00 175.10 174.61 1qo6 s SER 37 N 2.33 4.77 0.29 3.32 0.15 0.22 -4.89 113.70 119.90 1qo6 s SER 37 Ca 0.03 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1qo6 s SER 37 Cb -0.12 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1qo6 s SER 37 CO -0.07 0.22 0.19 0.00 1.20 0.00 0.00 173.24 174.77 1qo6 s GLN 39 N -3.78 2.18 -0.14 0.00 -0.21 0.24 -4.93 119.66 113.02 1qo6 s GLN 39 Ca 0.38 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.68 1qo6 s GLN 39 Cb 0.05 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.67 1qo6 s GLN 39 CO 0.19 -0.36 1.41 -1.83 -2.12 0.00 0.00 175.29 172.58 1qo6 s GLU 40 N 1.40 4.18 0.00 2.91 1.03 -1.26 -2.09 118.70 124.87 1qo6 s GLU 40 Ca 0.01 1.81 0.00 0.00 0.03 0.00 0.00 54.97 56.82 1qo6 s GLU 40 Cb -0.15 -3.86 0.00 0.00 -0.80 0.00 0.00 34.13 29.32 1qo6 s GLU 40 CO -0.09 -0.81 0.00 2.41 -1.33 0.00 0.00 175.26 175.44 1qo6 n THR 41 N 5.51 0.00 -4.42 1.83 -1.04 0.33 -4.95 114.28 111.54 1qo6 n THR 41 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1qo6 n THR 41 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.00 2.41 0.00 -1.17 -4.08 120.51 117.67 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 0.00 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 -0.21 0.00 0.24 -1.26 -4.85 118.33 112.25 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 0.41 -2.14 0.00 0.00 176.83 175.10 1qo6 n THR 44 N 0.00 -0.39 -1.34 3.34 -1.04 -1.26 -4.02 114.28 109.56 1qo6 n THR 44 Ca 0.00 0.20 -0.30 0.00 -2.04 0.00 0.00 64.05 61.91 1qo6 n THR 44 Cb 0.00 -0.33 0.11 0.00 -1.82 0.00 0.00 70.33 68.29 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qo6 s GLN 45 N -4.19 1.78 0.13 -2.82 -1.52 -1.26 -4.93 119.66 106.86 1qo6 s GLN 45 Ca 0.00 0.84 0.06 0.00 -1.95 0.00 0.00 55.36 54.30 1qo6 s GLN 45 Cb 0.00 -1.87 -0.04 0.00 -0.22 0.00 0.00 33.01 30.88 1qo6 s GLN 45 CO 0.00 -1.88 -0.13 0.95 -0.25 0.00 0.00 175.29 173.98 1qo6 s THR 46 N -3.00 1.29 -0.19 -0.19 -4.23 -1.26 -2.65 115.64 105.42 1qo6 s THR 46 Ca 0.62 -1.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.13 1qo6 s THR 46 Cb -0.17 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1qo6 s THR 46 CO 0.56 -0.51 0.52 -0.72 -0.54 0.00 0.00 174.62 173.94 1qo6 s TYR 47 N -2.45 -0.57 0.00 3.99 -0.85 -1.18 -4.73 117.35 111.56 1qo6 s TYR 47 Ca 0.11 1.37 0.00 0.00 -0.52 0.00 0.00 57.07 58.03 1qo6 s TYR 47 Cb -0.03 0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.51 1qo6 s TYR 47 CO 0.03 -0.29 0.00 0.41 -1.52 0.00 0.00 175.55 174.17 1qo6 n GLY 48 N 2.69 2.13 7.00 5.49 0.00 -1.21 -3.64 105.19 117.66 1qo6 n GLY 48 Ca -0.14 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1qo6 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qo6 n GLY 49 N 0.00 3.22 0.00 -0.02 0.00 -1.26 0.53 105.19 107.66 1qo6 n GLY 49 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 8.67 0.77 -0.17 1.61 5.15 0.14 -4.66 115.26 126.76 1qo6 n ASN 50 Ca 0.00 -0.42 0.05 0.00 -0.60 0.00 0.00 54.58 53.61 1qo6 n ASN 50 Cb 0.00 1.00 0.08 0.00 -0.53 0.00 0.00 39.78 40.32 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1qo6 n SER 51 N -1.07 1.53 -0.28 1.20 2.88 -0.38 -4.65 113.62 112.83 1qo6 n SER 51 Ca 0.00 -2.53 -0.04 0.00 -1.33 0.00 0.00 58.87 54.97 1qo6 n SER 51 Cb 0.00 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.16 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 -0.85 -5.49 -1.06 -3.46 4.05 0.19 -4.12 115.26 104.52 1qo6 n ASN 52 Ca 0.09 0.09 0.00 0.00 0.45 0.00 0.00 54.58 55.21 1qo6 n ASN 52 Cb 0.60 -3.31 0.00 0.00 1.23 0.00 0.00 39.78 38.30 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 0.18 -2.03 3.21 8.20 0.00 -0.40 -3.31 105.19 111.04 1qo6 n GLY 53 Ca -0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.50 1.18 -0.58 1.61 -1.05 -1.26 -4.84 118.70 113.27 1qo6 s GLU 54 Ca 0.00 -1.58 -0.27 0.00 -0.15 0.00 0.00 54.97 52.97 1qo6 s GLU 54 Cb 0.00 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.87 1qo6 s GLU 54 CO 0.00 -0.39 2.47 -2.30 0.95 0.00 0.00 175.26 175.99 1qo6 n PRO 55 N -0.25 0.87 -0.93 -4.83 -0.02 -1.26 -4.91 135.00 123.67 1qo6 n PRO 55 Ca 0.01 -0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 1qo6 n PRO 55 Cb 0.65 -3.11 0.06 0.00 -0.02 0.00 0.00 33.50 31.09 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 1.49 -3.81 0.00 3.14 0.70 -4.84 118.33 111.32 1qo6 n VAL 57 Ca -0.01 -4.93 -0.22 0.00 -2.96 0.00 0.00 64.34 56.21 1qo6 n VAL 57 Cb 0.73 -1.72 -0.05 0.00 -1.06 0.00 0.00 33.84 31.74 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 -2.36 3.35 0.01 6.55 -0.00 -1.26 -3.90 118.68 121.07 1qo6 s LEU 58 Ca 0.41 -0.77 -0.30 0.00 -0.00 0.00 0.00 54.13 53.46 1qo6 s LEU 58 Cb 0.20 -1.91 -0.07 0.00 -0.00 0.00 0.00 46.19 44.42 1qo6 s LEU 58 CO -0.07 -0.52 1.62 -2.16 -0.00 0.00 0.00 176.35 175.22 1qo6 s PRO 59 N -4.02 4.20 0.51 1.48 0.04 -1.26 -5.02 135.00 130.94 1qo6 s PRO 59 Ca 0.44 2.23 0.08 0.00 0.04 0.00 0.00 61.00 63.79 1qo6 s PRO 59 Cb -0.02 -3.75 0.08 0.00 0.04 0.00 0.00 34.50 30.85 1qo6 s PRO 59 CO 0.26 -0.75 0.64 1.97 0.04 0.00 0.00 177.00 179.15 1qo6 n PHE 60 N 6.16 -2.05 -4.90 0.56 1.16 -0.87 -4.85 117.46 112.67 1qo6 n PHE 60 Ca 0.16 -1.90 -0.28 0.00 -1.87 0.00 0.00 57.45 53.56 1qo6 n PHE 60 Cb 0.42 -0.47 -0.16 0.00 -1.61 0.00 0.00 39.48 37.65 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 -2.22 1.56 -0.10 1.97 2.01 -1.26 -2.22 115.64 115.38 1qo6 s THR 61 Ca 0.49 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1qo6 s THR 61 Cb -0.04 -1.36 0.05 0.00 0.01 0.00 0.00 72.50 71.17 1qo6 s THR 61 CO 0.31 0.45 0.21 -0.47 -0.69 0.00 0.00 174.62 174.42 1qo6 s TYR 62 N 0.28 -0.29 0.00 4.92 5.04 -0.89 -4.82 117.35 121.59 1qo6 s TYR 62 Ca -0.11 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.26 1qo6 s TYR 62 Cb -0.15 -0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.08 1qo6 s TYR 62 CO 0.04 -0.27 0.00 0.09 -1.34 0.00 0.00 175.55 174.08 1qo6 n ASN 63 N 4.87 -2.53 0.00 4.32 3.02 -1.26 -1.99 115.26 121.69 1qo6 n ASN 63 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1qo6 n ASN 63 Cb 0.51 -1.85 0.00 0.00 -0.61 0.00 0.00 39.78 37.83 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 -1.31 0.78 0.00 7.41 0.00 -1.26 -5.09 105.19 105.72 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 -0.96 2.56 -3.92 1.61 1.85 -0.84 -5.09 116.66 111.88 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 1.45 0.09 -0.00 8.89 2.01 -1.26 -2.11 115.64 124.71 1qo6 s THR 66 Ca 0.00 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1qo6 s THR 66 Cb 0.00 -0.34 -0.00 0.00 0.01 0.00 0.00 72.50 72.17 1qo6 s THR 66 CO 0.00 -0.42 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.12 1qo6 s PHE 67 N -1.36 0.31 -2.32 4.92 0.40 -0.94 -4.95 117.98 114.03 1qo6 s PHE 67 Ca -0.15 -0.06 0.28 0.00 -0.60 0.00 0.00 56.93 56.41 1qo6 s PHE 67 Cb -0.08 -0.20 1.16 0.00 0.51 0.00 0.00 43.02 44.41 1qo6 s PHE 67 CO 0.00 -0.01 1.81 0.66 0.70 0.00 0.00 175.22 178.38 1qo6 n TYR 68 N 3.00 0.00 -3.32 0.36 4.01 -1.26 -2.04 117.16 117.90 1qo6 n TYR 68 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1qo6 n TYR 68 Cb 0.59 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 -0.13 0.00 -3.96 7.72 7.64 -1.26 -4.65 113.62 118.98 1qo6 n SER 69 Ca 0.19 -0.64 -0.28 0.00 1.01 0.00 0.00 58.87 59.15 1qo6 n SER 69 Cb 0.31 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.75 0.00 -2.70 0.00 5.66 0.28 -4.90 114.28 108.88 1qo6 n THR 71 Ca -0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1qo6 n THR 71 Cb 0.54 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.23 3.57 -0.11 1.09 -2.24 -1.26 -1.96 114.28 113.14 1qo6 n THR 72 Ca 0.00 -5.42 -0.20 0.00 -2.27 0.00 0.00 64.05 56.16 1qo6 n THR 72 Cb 0.00 -1.39 -0.12 0.00 -2.10 0.00 0.00 70.33 66.72 1qo6 n THR 72 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1qo6 n GLU 73 N -0.29 0.66 -3.56 -0.78 0.28 -1.26 -4.74 120.64 110.95 1qo6 n GLU 73 Ca 0.38 0.19 -0.27 0.00 -0.16 0.00 0.00 57.16 57.30 1qo6 n GLU 73 Cb 0.41 -1.55 -0.09 0.00 1.43 0.00 0.00 31.44 31.64 1qo6 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qo6 n GLY 74 N 2.07 4.31 3.18 -1.84 0.00 -1.26 -5.06 105.19 106.58 1qo6 n GLY 74 Ca -0.45 -2.57 -0.13 0.00 0.00 0.00 0.00 46.02 42.87 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 -1.95 0.86 -0.28 1.61 1.70 -1.26 -5.06 118.95 114.56 1qo6 s ARG 75 Ca 0.34 -1.26 0.09 0.00 -0.47 0.00 0.00 55.73 54.43 1qo6 s ARG 75 Cb 0.08 -0.39 0.46 0.00 -0.57 0.00 0.00 34.95 34.53 1qo6 s ARG 75 CO -0.08 0.03 1.19 0.00 -1.08 0.00 0.00 175.30 175.36 1qo6 n GLN 76 N 0.22 3.19 0.00 3.89 10.64 -1.26 -4.84 117.38 129.21 1qo6 n GLN 76 Ca -0.14 -3.99 0.00 0.00 -1.83 0.00 0.00 57.00 51.04 1qo6 n GLN 76 Cb 0.59 -2.12 0.00 0.00 -0.86 0.00 0.00 30.24 27.85 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1qo6 n ASP 77 N -0.73 0.00 0.00 2.61 2.03 -1.26 -5.08 116.55 114.12 1qo6 n ASP 77 Ca 0.38 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1qo6 n ASP 77 Cb 0.93 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.58 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qo6 n GLY 78 N -0.21 0.00 3.23 0.27 0.00 -1.26 -5.16 105.19 102.06 1qo6 n GLY 78 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.38 0.25 1.61 3.76 -1.26 -5.10 115.29 116.93 1qo6 s HIS 79 Ca 0.00 -0.81 -0.30 0.00 -0.15 0.00 0.00 55.06 53.79 1qo6 s HIS 79 Cb 0.00 -1.58 -0.14 0.00 1.11 0.00 0.00 32.58 31.98 1qo6 s HIS 79 CO 0.00 -0.29 1.27 1.28 -0.85 0.00 0.00 174.74 176.15 1qo6 n LEU 80 N 3.20 2.62 -4.20 0.89 4.32 -1.25 -4.82 117.00 117.76 1qo6 n LEU 80 Ca -0.18 1.16 -0.12 0.00 -0.02 0.00 0.00 56.01 56.85 1qo6 n LEU 80 Cb 0.52 -1.37 -0.10 0.00 -1.62 0.00 0.00 43.42 40.85 1qo6 n LEU 80 CO 0.26 -0.82 -0.38 -1.66 -1.22 0.00 0.00 177.39 173.58 1qo6 s TRP 81 N -0.44 1.05 0.31 -1.77 1.48 -0.83 0.25 118.94 119.00 1qo6 s TRP 81 Ca 0.65 -0.91 -0.03 0.00 -1.06 0.00 0.00 56.10 54.75 1qo6 s TRP 81 Cb -0.69 -0.59 -0.01 0.00 -1.16 0.00 0.00 33.47 31.03 1qo6 s TRP 81 CO 0.54 -0.12 0.42 0.00 -4.06 0.00 0.00 176.95 173.73 1qo6 s SER 83 N -3.21 5.85 -0.01 0.00 0.15 -1.26 -0.85 113.70 114.38 1qo6 s SER 83 Ca 0.31 0.25 0.05 0.00 0.70 0.00 0.00 55.95 57.26 1qo6 s SER 83 Cb 0.01 -1.75 -0.07 0.00 -1.71 0.00 0.00 66.02 62.49 1qo6 s SER 83 CO 0.18 0.32 0.13 0.35 1.20 0.00 0.00 173.24 175.42 1qo6 n THR 84 N 1.49 0.00 -4.38 6.45 -2.24 0.38 0.25 114.28 116.23 1qo6 n THR 84 Ca -0.15 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 1qo6 n THR 84 Cb 0.53 0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.15 2.44 0.45 4.28 2.01 -1.21 -4.42 115.64 117.04 1qo6 s THR 85 Ca -0.01 -0.83 0.34 0.00 0.31 0.00 0.00 61.69 61.50 1qo6 s THR 85 Cb 0.03 -2.03 0.53 0.00 0.01 0.00 0.00 72.50 71.04 1qo6 s THR 85 CO 0.20 0.52 1.58 0.28 -0.69 0.00 0.00 174.62 176.51 1qo6 h SER 86 N 7.57 0.18 -2.68 3.53 0.02 -1.93 -0.88 113.55 119.37 1qo6 h SER 86 Ca -0.37 0.15 -0.74 0.00 -0.84 0.00 0.00 61.79 59.98 1qo6 h SER 86 Cb 1.17 0.15 -0.33 0.00 0.14 0.00 0.00 62.40 63.54 1qo6 h SER 86 CO 0.59 -0.25 0.34 0.59 -1.14 0.00 0.00 176.83 176.97 1qo6 n ASN 87 N -4.68 5.59 0.16 3.07 4.13 -1.26 -4.79 115.26 117.49 1qo6 n ASN 87 Ca 0.41 -3.43 0.13 0.00 1.68 0.00 0.00 54.58 53.37 1qo6 n ASN 87 Cb 1.62 -1.08 0.47 0.00 -1.54 0.00 0.00 39.78 39.25 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1qo6 h TYR 88 N 5.02 0.00 0.00 3.10 5.03 -1.51 0.14 116.97 128.74 1qo6 h TYR 88 Ca 0.20 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1qo6 h TYR 88 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.91 1qo6 h TYR 88 CO 0.92 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 178.15 1qo6 n GLU 89 N -2.51 0.22 0.00 1.82 1.02 -1.26 -1.56 120.64 118.37 1qo6 n GLU 89 Ca 0.03 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1qo6 n GLU 89 Cb 0.33 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.22 2.81 -0.11 3.49 -0.00 -1.03 -4.84 117.38 115.48 1qo6 n GLN 90 Ca 0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.81 1qo6 n GLN 90 Cb 0.32 -0.90 -0.11 0.00 -0.00 0.00 0.00 30.24 29.54 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1qo6 n ASP 91 N -1.61 1.88 -0.03 2.61 9.92 0.45 -4.99 116.55 124.78 1qo6 n ASP 91 Ca 0.00 0.40 -0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1qo6 n ASP 91 Cb 0.32 -0.94 -0.00 0.00 -0.64 0.00 0.00 41.12 39.86 1qo6 n ASP 91 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1qo6 n GLN 92 N -4.37 -0.08 -2.32 -1.24 -0.06 -0.60 -4.95 117.38 103.75 1qo6 n GLN 92 Ca -0.36 0.24 -0.35 0.00 -2.00 0.00 0.00 57.00 54.53 1qo6 n GLN 92 Cb 0.73 -3.50 -0.04 0.00 -4.06 0.00 0.00 30.24 23.37 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 -0.92 3.16 0.34 3.69 3.01 -1.26 -4.94 119.74 122.82 1qo6 s LYS 93 Ca 0.00 -1.05 0.08 0.00 -1.01 0.00 0.00 55.97 53.99 1qo6 s LYS 93 Cb 0.00 -5.29 -0.04 0.00 -1.01 0.00 0.00 37.83 31.49 1qo6 s LYS 93 CO 0.00 -2.88 0.17 1.52 0.51 0.00 0.00 175.35 174.66 1qo6 s TYR 94 N 7.43 2.73 0.05 3.18 -0.85 -1.26 -0.47 117.35 128.16 1qo6 s TYR 94 Ca 0.59 -0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.77 1qo6 s TYR 94 Cb -0.01 -1.68 -0.03 0.00 0.38 0.00 0.00 41.96 40.62 1qo6 s TYR 94 CO 0.00 0.31 -0.06 -1.12 -1.52 0.00 0.00 175.55 173.16 1qo6 s SER 95 N -3.87 0.75 0.88 -0.18 0.01 -0.03 0.28 113.70 111.54 1qo6 s SER 95 Ca 0.38 -0.71 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 1qo6 s SER 95 Cb -0.03 0.08 0.18 0.00 0.21 0.00 0.00 66.02 66.47 1qo6 s SER 95 CO 0.23 -0.34 1.21 -0.36 0.41 0.00 0.00 173.24 174.40 1qo6 s PHE 96 N -2.27 1.44 -0.20 2.43 0.08 -1.24 1.00 117.98 119.23 1qo6 s PHE 96 Ca -0.04 0.04 -0.18 0.00 0.12 0.00 0.00 56.93 56.87 1qo6 s PHE 96 Cb -0.04 -3.72 0.05 0.00 -0.57 0.00 0.00 43.02 38.74 1qo6 s PHE 96 CO -0.02 -2.37 0.52 0.00 -0.10 0.00 0.00 175.22 173.24 1qo6 n THR 98 N 2.89 0.00 0.00 0.00 -2.24 -1.08 -3.84 114.28 110.01 1qo6 n THR 98 Ca -0.14 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1qo6 n THR 98 Cb 0.56 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 99 N 0.00 0.00 0.06 3.42 -0.08 -1.26 -4.31 116.55 114.38 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1qo6 n HIS 100 N 0.00 -0.51 -1.26 -0.67 8.25 -1.26 -5.14 115.22 114.62 1qo6 n HIS 100 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1qo6 n HIS 100 Cb 0.00 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23