#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 2.10 3.09 -7.48 0.00 -1.26 -5.06 105.19 96.58 1qo6 n GLY 2 Ca 0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.39 1.08 0.23 1.61 3.76 -1.26 -2.55 115.29 116.76 1qo6 s HIS 3 Ca 0.00 -0.25 0.10 0.00 -0.15 0.00 0.00 55.06 54.76 1qo6 s HIS 3 Cb 0.00 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.97 1qo6 s HIS 3 CO 0.00 -0.01 -0.09 0.00 -0.85 0.00 0.00 174.74 173.79 1qo6 s VAL 5 N -2.06 0.00 0.00 0.00 0.11 -1.25 0.26 120.40 117.46 1qo6 s VAL 5 Ca 0.28 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1qo6 s VAL 5 Cb -0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1qo6 s VAL 5 CO 0.16 0.00 0.00 0.35 -3.33 0.00 0.00 175.10 172.28 1qo6 n THR 6 N 0.94 0.00 1.66 5.04 -2.24 -1.22 -4.98 114.28 113.49 1qo6 n THR 6 Ca -0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 1qo6 n THR 6 Cb 0.58 -0.85 0.63 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.15 0.91 -0.00 3.42 8.00 -1.26 -3.59 116.55 122.87 1qo6 n ASP 7 Ca 0.00 -1.38 -0.08 0.00 0.71 0.00 0.00 54.79 54.04 1qo6 n ASP 7 Cb 0.00 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 40.95 1qo6 n ASP 7 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1qo6 h SER 8 N 1.35 0.00 0.00 -2.24 0.02 -2.05 -3.48 113.55 107.15 1qo6 h SER 8 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qo6 h SER 8 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1qo6 h SER 8 CO 0.00 0.99 0.00 0.61 -1.14 0.00 0.00 176.83 177.29 1qo6 n GLY 9 N 1.51 1.07 3.57 -3.77 0.00 -1.24 -5.07 105.19 101.25 1qo6 n GLY 9 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 3.73 -1.27 1.61 1.01 -1.26 -4.93 120.40 117.29 1qo6 s VAL 10 Ca 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1qo6 s VAL 10 Cb 0.00 -4.49 0.08 0.00 0.00 0.00 0.00 36.38 31.96 1qo6 s VAL 10 CO 0.00 -1.29 1.69 -0.69 0.00 0.00 0.00 175.10 174.82 1qo6 s VAL 11 N 6.28 4.17 1.07 2.92 1.01 -1.26 -3.39 120.40 131.20 1qo6 s VAL 11 Ca 0.50 -1.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.44 1qo6 s VAL 11 Cb -0.10 -5.17 0.23 0.00 0.00 0.00 0.00 36.38 31.34 1qo6 s VAL 11 CO 0.22 -1.99 1.15 -0.31 0.00 0.00 0.00 175.10 174.17 1qo6 s TYR 12 N 4.10 1.36 0.02 5.22 2.02 0.74 -4.83 117.35 125.98 1qo6 s TYR 12 Ca 0.53 0.62 0.03 0.00 -0.37 0.00 0.00 57.07 57.88 1qo6 s TYR 12 Cb 0.03 -3.52 -0.02 0.00 -0.40 0.00 0.00 41.96 38.06 1qo6 s TYR 12 CO 0.06 -3.21 -0.10 -1.12 -1.57 0.00 0.00 175.55 169.61 1qo6 s SER 13 N -4.01 1.19 -0.57 2.29 0.01 -1.26 -0.29 113.70 111.06 1qo6 s SER 13 Ca 0.69 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 57.54 1qo6 s SER 13 Cb -0.11 -0.07 -0.19 0.00 0.21 0.00 0.00 66.02 65.85 1qo6 s SER 13 CO 0.55 0.00 1.30 0.55 0.41 0.00 0.00 173.24 176.05 1qo6 n VAL 14 N 2.17 0.00 0.00 3.43 3.14 -1.06 -0.90 118.33 125.11 1qo6 n VAL 14 Ca -0.17 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 1qo6 n VAL 14 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 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 3.47 0.64 2.56 7.55 0.00 -0.59 -4.92 105.19 113.89 1qo6 n GLY 15 Ca 0.39 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qo6 n MET 16 N 0.00 2.15 -0.70 1.61 2.00 -0.08 -5.05 117.12 117.04 1qo6 n MET 16 Ca 0.00 -3.95 -0.24 0.00 0.00 0.00 0.00 57.70 53.51 1qo6 n MET 16 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 33.22 31.38 1qo6 n MET 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1qo6 n GLN 17 N -0.14 0.00 -2.63 0.03 6.02 -1.26 -4.81 117.38 114.59 1qo6 n GLN 17 Ca 0.25 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.18 1qo6 n GLN 17 Cb 0.66 -0.52 -0.01 0.00 1.02 0.00 0.00 30.24 31.39 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 0.05 -1.06 -4.30 1.08 2.14 -0.67 -5.04 117.44 109.65 1qo6 n TRP 18 Ca 0.09 -1.06 -0.16 0.00 2.07 0.00 0.00 57.50 58.43 1qo6 n TRP 18 Cb 0.12 0.29 -0.10 0.00 -0.81 0.00 0.00 31.31 30.81 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 2.54 -0.00 5.67 2.96 -1.26 -2.29 118.68 126.30 1qo6 s LEU 19 Ca 0.12 -1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 52.82 1qo6 s LEU 19 Cb -0.01 -0.51 0.04 0.00 0.50 0.00 0.00 46.19 46.21 1qo6 s LEU 19 CO 0.09 -0.25 0.43 -1.59 -1.32 0.00 0.00 176.35 173.71 1qo6 s LYS 20 N -3.70 0.84 0.54 1.98 -2.85 0.24 -4.84 119.74 111.95 1qo6 s LYS 20 Ca 0.20 -0.15 0.06 0.00 -1.00 0.00 0.00 55.97 55.08 1qo6 s LYS 20 Cb 0.01 0.38 0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1qo6 s LYS 20 CO 0.04 -0.26 0.45 0.95 0.10 0.00 0.00 175.35 176.63 1qo6 s THR 21 N -1.68 1.78 -0.04 3.79 -4.23 -1.26 0.14 115.64 114.14 1qo6 s THR 21 Ca -0.10 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 1qo6 s THR 21 Cb -0.03 -2.20 0.09 0.00 1.34 0.00 0.00 72.50 71.70 1qo6 s THR 21 CO 0.03 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.16 1qo6 n GLN 22 N -1.81 0.35 -1.00 3.99 6.02 -0.79 -4.83 117.38 119.31 1qo6 n GLN 22 Ca 0.01 -1.45 -0.00 0.00 -0.01 0.00 0.00 57.00 55.55 1qo6 n GLN 22 Cb 0.64 -0.76 -0.00 0.00 1.02 0.00 0.00 30.24 31.14 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 -0.37 0.44 0.00 1.08 0.00 -1.26 -4.53 105.19 100.55 1qo6 n GLY 23 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.10 0.00 -2.25 1.61 4.13 -1.26 -5.16 115.26 112.24 1qo6 n ASN 24 Ca -0.00 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.20 1qo6 n ASN 24 Cb 0.06 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.29 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 -1.06 1.31 -4.03 3.52 4.01 -1.26 -5.17 118.16 115.49 1qo6 n LYS 25 Ca 0.00 -0.73 -0.23 0.00 -0.51 0.00 0.00 58.31 56.84 1qo6 n LYS 25 Cb 0.00 0.29 -0.06 0.00 -0.51 0.00 0.00 35.03 34.75 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1qo6 s GLN 26 N -2.34 2.32 -0.30 1.97 1.11 -1.26 -1.89 119.66 119.26 1qo6 s GLN 26 Ca 0.02 -1.70 -0.12 0.00 0.01 0.00 0.00 55.36 53.57 1qo6 s GLN 26 Cb 0.00 -2.11 0.15 0.00 -1.01 0.00 0.00 33.01 30.04 1qo6 s GLN 26 CO 0.01 -0.05 0.82 1.41 0.01 0.00 0.00 175.29 177.50 1qo6 s MET 27 N -3.92 0.43 -0.06 2.91 1.75 0.38 -1.56 119.30 119.22 1qo6 s MET 27 Ca 0.41 1.06 -0.23 0.00 -1.25 0.00 0.00 55.69 55.68 1qo6 s MET 27 Cb 0.01 0.64 -0.04 0.00 2.84 0.00 0.00 34.83 38.28 1qo6 s MET 27 CO 0.23 -0.16 0.69 -1.17 -0.65 0.00 0.00 175.02 173.96 1qo6 s LEU 28 N 2.68 4.32 -0.01 4.11 2.96 -0.45 0.79 118.68 133.08 1qo6 s LEU 28 Ca -0.03 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.09 1qo6 s LEU 28 Cb -0.09 -3.06 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 1qo6 s LEU 28 CO -0.18 -0.10 -0.14 0.00 -1.32 0.00 0.00 176.35 174.61 1qo6 s THR 30 N -0.25 0.68 -0.28 0.00 2.01 0.41 -1.67 115.64 116.53 1qo6 s THR 30 Ca 0.04 -1.49 0.01 0.00 0.31 0.00 0.00 61.69 60.57 1qo6 s THR 30 Cb -0.06 -1.13 0.06 0.00 0.01 0.00 0.00 72.50 71.38 1qo6 s THR 30 CO -0.00 -0.58 -0.05 0.00 -0.69 0.00 0.00 174.62 173.29 1qo6 n LEU 32 N 4.48 0.00 0.00 0.00 -0.00 -1.11 -1.55 117.00 118.83 1qo6 n LEU 32 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1qo6 n LEU 32 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1qo6 n LEU 32 CO 0.23 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.23 1qo6 n GLY 33 N 2.95 -0.08 0.08 1.47 0.00 -1.26 -4.26 105.19 104.09 1qo6 n GLY 33 Ca 0.00 -0.01 -0.05 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 0.00 0.00 1.61 -1.07 -2.00 -3.46 115.58 110.66 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 0.90 0.00 0.61 0.07 0.00 0.00 177.43 179.01 1qo6 n GLY 35 N 1.14 2.64 2.94 9.14 0.00 -1.26 -5.16 105.19 114.63 1qo6 n GLY 35 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.62 -0.14 -0.03 1.61 1.01 -1.26 -2.74 120.40 119.47 1qo6 s VAL 36 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1qo6 s VAL 36 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1qo6 s VAL 36 CO 0.00 0.09 -0.20 -0.55 0.00 0.00 0.00 175.10 174.44 1qo6 s SER 37 N 1.59 3.56 0.04 3.32 0.15 0.26 -4.90 113.70 117.71 1qo6 s SER 37 Ca -0.05 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.28 1qo6 s SER 37 Cb -0.11 -0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 63.58 1qo6 s SER 37 CO -0.07 0.33 -0.09 0.00 1.20 0.00 0.00 173.24 174.61 1qo6 s GLN 39 N -1.34 3.68 -0.17 0.00 -1.52 0.83 -4.90 119.66 116.24 1qo6 s GLN 39 Ca -0.06 -0.49 -0.29 0.00 -1.95 0.00 0.00 55.36 52.57 1qo6 s GLN 39 Cb -0.09 -3.57 -0.03 0.00 -0.22 0.00 0.00 33.01 29.10 1qo6 s GLN 39 CO 0.01 -0.27 1.57 -1.83 -0.25 0.00 0.00 175.29 174.52 1qo6 s GLU 40 N 1.69 3.96 0.00 2.91 -1.05 -1.26 -1.33 118.70 123.61 1qo6 s GLU 40 Ca 0.06 1.79 0.00 0.00 -0.15 0.00 0.00 54.97 56.67 1qo6 s GLU 40 Cb -0.16 -3.98 0.00 0.00 -0.44 0.00 0.00 34.13 29.55 1qo6 s GLU 40 CO 0.08 -1.09 0.00 2.41 0.95 0.00 0.00 175.26 177.61 1qo6 n THR 41 N 6.01 0.00 -4.34 1.83 -1.04 -0.60 -4.92 114.28 111.22 1qo6 n THR 41 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1qo6 n THR 41 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.18 2.41 0.00 -1.23 -4.79 120.51 116.72 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 0.00 0.00 0.24 -1.26 -5.02 118.33 112.29 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 -0.25 0.00 0.00 3.34 5.66 -1.26 -5.06 114.28 116.71 1qo6 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1qo6 n THR 44 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qo6 n GLN 45 N -1.16 0.00 -1.99 1.09 1.13 -1.26 -4.82 117.38 110.37 1qo6 n GLN 45 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1qo6 n GLN 45 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1qo6 n THR 46 N 0.00 -8.79 -0.01 5.09 -2.24 -1.26 -4.96 114.28 102.11 1qo6 n THR 46 Ca 0.00 2.89 -0.01 0.00 -2.27 0.00 0.00 64.05 64.66 1qo6 n THR 46 Cb 0.00 -4.17 -0.02 0.00 -2.10 0.00 0.00 70.33 64.04 1qo6 n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n TYR 47 N 1.16 0.00 -0.54 4.78 4.11 -1.26 -4.68 117.16 120.74 1qo6 n TYR 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1qo6 n TYR 47 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 39.34 39.23 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qo6 n GLY 48 N 2.92 -0.97 0.41 -7.48 0.00 -1.26 -3.13 105.19 95.69 1qo6 n GLY 48 Ca -0.04 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1qo6 n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qo6 h GLY 49 N 0.00 -1.06 -0.49 -0.02 0.00 -1.78 -3.37 103.07 96.35 1qo6 h GLY 49 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1qo6 h GLY 49 CO 0.00 -0.39 0.00 -2.01 0.00 0.00 0.00 176.54 174.14 1qo6 n ASN 50 N -5.46 1.58 0.00 0.19 5.15 -1.26 -4.93 115.26 110.54 1qo6 n ASN 50 Ca -0.13 -1.31 0.00 0.00 -0.60 0.00 0.00 54.58 52.54 1qo6 n ASN 50 Cb 0.41 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1qo6 n SER 51 N 0.30 0.00 0.00 1.20 7.64 -1.23 -4.94 113.62 116.59 1qo6 n SER 51 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1qo6 n SER 51 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.00 0.00 0.00 6.43 2.85 -1.26 -4.87 115.26 118.41 1qo6 n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qo6 n ASN 52 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 53 N 0.00 1.80 1.12 8.20 0.00 -1.18 -4.39 105.19 110.74 1qo6 n GLY 53 Ca 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1qo6 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qo6 n GLU 54 N 0.00 -2.09 -2.07 1.61 1.02 -1.26 -4.47 120.64 113.39 1qo6 n GLU 54 Ca 0.00 1.62 -0.41 0.00 -0.02 0.00 0.00 57.16 58.36 1qo6 n GLU 54 Cb 0.00 -2.65 -0.03 0.00 -0.02 0.00 0.00 31.44 28.74 1qo6 n GLU 54 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1qo6 s PRO 55 N -3.74 3.00 1.01 3.49 0.04 -1.26 -4.96 135.00 132.58 1qo6 s PRO 55 Ca 0.00 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 61.77 1qo6 s PRO 55 Cb 0.00 -4.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.17 1qo6 s PRO 55 CO 0.00 -2.28 -0.70 0.00 0.04 0.00 0.00 177.00 174.07 1qo6 n VAL 57 N -3.31 1.91 -4.32 0.00 3.14 0.76 -4.87 118.33 111.64 1qo6 n VAL 57 Ca -0.00 -5.06 -0.24 0.00 -2.96 0.00 0.00 64.34 56.07 1qo6 n VAL 57 Cb 0.63 -1.94 -0.08 0.00 -1.06 0.00 0.00 33.84 31.39 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 -2.40 3.01 0.33 6.55 -0.00 -1.26 -3.96 118.68 120.94 1qo6 s LEU 58 Ca 0.40 -0.90 -0.28 0.00 -0.00 0.00 0.00 54.13 53.36 1qo6 s LEU 58 Cb 0.17 -1.44 -0.10 0.00 -0.00 0.00 0.00 46.19 44.83 1qo6 s LEU 58 CO -0.04 -0.16 1.23 -2.84 -0.00 0.00 0.00 176.35 174.53 1qo6 s PRO 59 N -3.69 4.36 0.39 1.48 0.02 -1.26 -4.99 135.00 131.30 1qo6 s PRO 59 Ca 0.34 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.40 1qo6 s PRO 59 Cb -0.02 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.49 1qo6 s PRO 59 CO 0.19 -0.12 0.07 1.97 -0.33 0.00 0.00 177.00 178.79 1qo6 n PHE 60 N 0.73 0.49 -4.40 6.54 1.16 -0.98 -4.89 117.46 116.11 1qo6 n PHE 60 Ca 0.01 -1.87 -0.27 0.00 -1.87 0.00 0.00 57.45 53.45 1qo6 n PHE 60 Cb 0.44 -0.27 -0.17 0.00 -1.61 0.00 0.00 39.48 37.86 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 -2.31 1.27 -0.10 1.97 2.01 -1.26 -2.22 115.64 115.00 1qo6 s THR 61 Ca 0.06 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1qo6 s THR 61 Cb -0.00 -1.18 0.04 0.00 0.01 0.00 0.00 72.50 71.37 1qo6 s THR 61 CO 0.04 0.39 0.23 -0.47 -0.69 0.00 0.00 174.62 174.12 1qo6 s TYR 62 N 1.01 -0.30 0.00 4.92 5.04 -0.89 -4.83 117.35 122.30 1qo6 s TYR 62 Ca -0.07 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1qo6 s TYR 62 Cb -0.15 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1qo6 s TYR 62 CO -0.01 -0.22 0.00 -1.71 -1.34 0.00 0.00 175.55 172.27 1qo6 n ASN 63 N 4.21 -2.52 0.00 4.32 2.85 -1.26 -2.01 115.26 120.85 1qo6 n ASN 63 Ca -0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 1qo6 n ASN 63 Cb 0.53 -1.71 0.00 0.00 1.24 0.00 0.00 39.78 39.84 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 -1.41 0.53 0.00 8.20 0.00 -1.26 -5.08 105.19 106.17 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 -1.37 2.55 -3.86 1.61 1.85 -0.85 -5.10 116.66 111.48 1qo6 n ARG 65 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1qo6 n ARG 65 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 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 1.12 0.07 -0.06 8.89 2.01 -1.26 -2.09 115.64 124.31 1qo6 s THR 66 Ca 0.00 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1qo6 s THR 66 Cb 0.00 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 72.15 1qo6 s THR 66 CO 0.00 -0.30 0.00 -0.36 -0.69 0.00 0.00 174.62 173.27 1qo6 s PHE 67 N -1.07 0.59 -0.58 4.92 0.40 -0.94 -4.94 117.98 116.36 1qo6 s PHE 67 Ca -0.12 -0.12 0.23 0.00 -0.60 0.00 0.00 56.93 56.33 1qo6 s PHE 67 Cb -0.06 -0.74 0.93 0.00 0.51 0.00 0.00 43.02 43.66 1qo6 s PHE 67 CO 0.01 -0.29 1.69 0.66 0.70 0.00 0.00 175.22 177.99 1qo6 n TYR 68 N 5.03 0.71 -2.64 0.36 4.02 -1.26 -2.33 117.16 121.05 1qo6 n TYR 68 Ca -0.09 0.27 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1qo6 n TYR 68 Cb 0.50 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 -2.14 0.00 -4.42 7.72 7.64 -1.26 -4.46 113.62 116.70 1qo6 n SER 69 Ca 0.03 -0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.46 1qo6 n SER 69 Cb 0.24 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.36 0.00 -0.73 0.00 -1.32 -0.64 -4.89 115.64 105.70 1qo6 s THR 71 Ca 0.66 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.15 1qo6 s THR 71 Cb -0.23 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.13 1qo6 s THR 71 CO 0.66 0.00 1.57 0.35 -2.21 0.00 0.00 174.62 174.98 1qo6 n THR 72 N 1.47 3.72 -0.10 5.08 -2.24 -1.26 -2.25 114.28 118.71 1qo6 n THR 72 Ca -0.12 -5.03 -0.21 0.00 -2.27 0.00 0.00 64.05 56.42 1qo6 n THR 72 Cb 0.57 -1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.39 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 -0.38 0.43 -3.24 -0.78 -0.58 -1.26 -4.79 120.64 110.04 1qo6 n GLU 73 Ca 0.45 0.19 -0.33 0.00 -0.42 0.00 0.00 57.16 57.04 1qo6 n GLU 73 Cb 0.38 -1.22 -0.04 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.75 5.00 3.30 0.62 0.00 -1.26 -5.02 105.19 109.58 1qo6 n GLY 74 Ca -0.38 -2.73 -0.20 0.00 0.00 0.00 0.00 46.02 42.70 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 -2.66 1.77 -0.00 1.61 1.70 -1.26 -5.06 118.95 115.03 1qo6 s ARG 75 Ca 0.37 -2.03 0.00 0.00 -0.47 0.00 0.00 55.73 53.60 1qo6 s ARG 75 Cb 0.11 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1qo6 s ARG 75 CO 0.03 -0.64 0.64 1.04 -1.08 0.00 0.00 175.30 175.30 1qo6 n GLN 76 N -0.64 0.73 0.00 3.89 6.02 -1.26 -4.94 117.38 121.18 1qo6 n GLN 76 Ca 0.06 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 1qo6 n GLN 76 Cb 0.63 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 31.25 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1qo6 n ASP 77 N -0.14 0.00 0.00 1.08 9.92 -1.26 -5.08 116.55 121.08 1qo6 n ASP 77 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1qo6 n ASP 77 Cb 0.45 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qo6 n GLY 78 N 2.75 0.28 3.95 0.44 0.00 -1.26 -5.15 105.19 106.19 1qo6 n GLY 78 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 3.25 0.07 1.61 3.76 -1.26 -5.01 115.29 117.72 1qo6 s HIS 79 Ca 0.00 0.22 -0.31 0.00 -0.15 0.00 0.00 55.06 54.83 1qo6 s HIS 79 Cb 0.00 -2.24 -0.09 0.00 1.11 0.00 0.00 32.58 31.36 1qo6 s HIS 79 CO 0.00 -0.28 1.72 -0.51 -0.85 0.00 0.00 174.74 174.82 1qo6 s LEU 80 N -4.51 4.38 -0.03 0.89 1.02 -1.26 -4.71 118.68 114.46 1qo6 s LEU 80 Ca 0.47 2.55 0.04 0.00 0.02 0.00 0.00 54.13 57.21 1qo6 s LEU 80 Cb -0.10 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.52 1qo6 s LEU 80 CO 0.37 -0.93 -0.14 -1.66 0.02 0.00 0.00 176.35 174.01 1qo6 s TRP 81 N 2.92 2.70 0.39 0.29 1.48 -0.95 0.40 118.94 126.16 1qo6 s TRP 81 Ca 0.77 -0.16 0.03 0.00 -1.06 0.00 0.00 56.10 55.68 1qo6 s TRP 81 Cb -0.41 -1.60 -0.04 0.00 -1.16 0.00 0.00 33.47 30.26 1qo6 s TRP 81 CO 0.34 0.22 0.09 0.00 -4.06 0.00 0.00 176.95 173.54 1qo6 s SER 83 N -3.59 4.74 0.00 0.00 0.15 -1.26 0.11 113.70 113.85 1qo6 s SER 83 Ca 0.27 -0.08 0.22 0.00 0.70 0.00 0.00 55.95 57.06 1qo6 s SER 83 Cb 0.05 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.23 1qo6 s SER 83 CO 0.14 0.31 1.08 0.35 1.20 0.00 0.00 173.24 176.32 1qo6 n THR 84 N 1.71 0.00 -4.01 6.45 -2.24 -0.97 0.27 114.28 115.48 1qo6 n THR 84 Ca -0.16 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 1qo6 n THR 84 Cb 0.53 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.93 0.17 0.09 4.28 2.01 -1.26 -4.54 115.64 113.46 1qo6 s THR 85 Ca 0.11 -1.39 -0.31 0.00 0.31 0.00 0.00 61.69 60.40 1qo6 s THR 85 Cb 0.17 -1.04 -0.14 0.00 0.01 0.00 0.00 72.50 71.50 1qo6 s THR 85 CO 0.78 -0.77 1.50 0.28 -0.69 0.00 0.00 174.62 175.73 1qo6 h SER 86 N 3.64 -1.41 -1.19 3.53 0.02 -1.92 -3.33 113.55 112.89 1qo6 h SER 86 Ca -0.33 0.14 -0.57 0.00 -0.84 0.00 0.00 61.79 60.19 1qo6 h SER 86 Cb 1.17 0.51 -0.09 0.00 0.14 0.00 0.00 62.40 64.13 1qo6 h SER 86 CO 0.56 -0.52 1.40 0.21 -1.14 0.00 0.00 176.83 177.33 1qo6 s ASN 87 N -4.38 6.35 0.12 3.07 3.04 -1.26 -4.77 114.94 117.11 1qo6 s ASN 87 Ca -0.15 -1.29 0.07 0.00 0.04 0.00 0.00 52.86 51.53 1qo6 s ASN 87 Cb 0.05 -2.57 -0.21 0.00 -1.54 0.00 0.00 41.25 36.98 1qo6 s ASN 87 CO 0.55 -1.64 1.27 0.22 -3.04 0.00 0.00 177.10 174.46 1qo6 h TYR 88 N 9.98 0.00 -0.20 0.43 3.20 -1.89 -1.01 116.97 127.47 1qo6 h TYR 88 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1qo6 h TYR 88 Cb 1.01 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1qo6 h TYR 88 CO 1.26 1.00 0.00 0.39 -1.64 0.00 0.00 178.16 179.17 1qo6 n GLU 89 N -3.35 1.64 0.00 1.82 -0.58 -1.26 -1.77 120.64 117.14 1qo6 n GLU 89 Ca -0.00 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.95 1qo6 n GLU 89 Cb 0.94 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1qo6 n GLN 90 N 0.13 0.09 0.01 3.49 -0.06 -1.19 -4.83 117.38 115.01 1qo6 n GLN 90 Ca 0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.06 1qo6 n GLN 90 Cb 0.26 -0.72 -0.10 0.00 -4.06 0.00 0.00 30.24 25.63 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1qo6 n ASP 91 N -1.90 0.71 -3.83 1.69 8.00 -0.39 -4.99 116.55 115.84 1qo6 n ASP 91 Ca 0.00 0.31 -0.25 0.00 0.71 0.00 0.00 54.79 55.56 1qo6 n ASP 91 Cb 0.22 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1qo6 n ASP 91 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1qo6 n GLN 92 N -2.84 -3.44 -3.65 -1.24 -0.06 -0.73 -4.94 117.38 100.47 1qo6 n GLN 92 Ca -0.12 0.48 -0.28 0.00 -2.00 0.00 0.00 57.00 55.07 1qo6 n GLN 92 Cb 0.87 -4.66 -0.12 0.00 -4.06 0.00 0.00 30.24 22.27 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1qo6 s LYS 93 N -6.29 1.47 0.51 3.69 0.00 -1.26 -5.01 119.74 112.84 1qo6 s LYS 93 Ca 0.07 -2.39 0.08 0.00 0.00 0.00 0.00 55.97 53.74 1qo6 s LYS 93 Cb -0.03 -2.31 0.04 0.00 0.00 0.00 0.00 37.83 35.54 1qo6 s LYS 93 CO 0.86 -1.27 0.60 1.52 0.00 0.00 0.00 175.35 177.06 1qo6 s TYR 94 N -0.22 1.96 0.00 1.78 -0.85 -1.26 -2.30 117.35 116.46 1qo6 s TYR 94 Ca 0.24 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1qo6 s TYR 94 Cb -0.10 -2.18 0.00 0.00 0.38 0.00 0.00 41.96 40.06 1qo6 s TYR 94 CO -0.11 -0.70 0.00 0.43 -1.52 0.00 0.00 175.55 173.65 1qo6 n SER 95 N -1.95 0.35 -3.42 -0.18 7.64 0.30 -3.52 113.62 112.83 1qo6 n SER 95 Ca 0.09 -0.16 -0.19 0.00 1.01 0.00 0.00 58.87 59.62 1qo6 n SER 95 Cb 0.62 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.73 1qo6 n SER 95 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1qo6 s PHE 96 N -0.85 1.69 -0.46 1.43 0.08 -1.26 -1.49 117.98 117.13 1qo6 s PHE 96 Ca 0.00 -1.63 0.07 0.00 0.12 0.00 0.00 56.93 55.49 1qo6 s PHE 96 Cb 0.00 -0.68 0.18 0.00 -0.57 0.00 0.00 43.02 41.95 1qo6 s PHE 96 CO 0.00 -0.86 0.64 0.00 -0.10 0.00 0.00 175.22 174.90 1qo6 n THR 98 N 3.70 -0.32 0.00 0.00 5.66 -1.26 -4.24 114.28 117.82 1qo6 n THR 98 Ca 0.15 1.38 0.00 0.00 -3.05 0.00 0.00 64.05 62.53 1qo6 n THR 98 Cb 0.55 -1.80 0.00 0.00 -1.55 0.00 0.00 70.33 67.53 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qo6 n ASP 99 N -4.84 0.00 -1.44 1.09 -0.08 -1.26 -4.79 116.55 105.23 1qo6 n ASP 99 Ca 0.05 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.51 1qo6 n ASP 99 Cb 0.22 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.61 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 -3.71 0.40 -0.67 8.25 -1.26 -5.13 115.22 113.09 1qo6 n HIS 100 Ca 0.00 1.97 0.05 0.00 -0.26 0.00 0.00 57.72 59.48 1qo6 n HIS 100 Cb 0.00 -3.38 0.04 0.00 1.12 0.00 0.00 29.99 27.77 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23