#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 -0.60 3.87 -7.48 0.00 -1.26 -5.12 105.19 94.61 1qo6 n GLY 2 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 3.37 -0.22 1.61 3.76 -1.26 -0.01 115.29 122.53 1qo6 s HIS 3 Ca 0.00 0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 54.96 1qo6 s HIS 3 Cb 0.00 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1qo6 s HIS 3 CO 0.00 0.54 0.07 0.00 -0.85 0.00 0.00 174.74 174.50 1qo6 s VAL 5 N 1.10 1.85 0.50 0.00 1.01 -1.26 0.27 120.40 123.87 1qo6 s VAL 5 Ca 0.04 -3.03 0.45 0.00 0.00 0.00 0.00 61.98 59.44 1qo6 s VAL 5 Cb -0.14 -2.28 0.67 0.00 0.00 0.00 0.00 36.38 34.63 1qo6 s VAL 5 CO 0.03 -0.92 1.40 1.07 0.00 0.00 0.00 175.10 176.69 1qo6 n THR 6 N 3.13 -0.00 0.00 3.92 5.66 -1.26 -4.56 114.28 121.16 1qo6 n THR 6 Ca 0.11 1.34 0.00 0.00 -3.05 0.00 0.00 64.05 62.46 1qo6 n THR 6 Cb 0.35 -2.24 0.00 0.00 -1.55 0.00 0.00 70.33 66.89 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1qo6 n ASP 7 N -3.74 0.00 -2.74 1.09 5.68 -1.26 -5.08 116.55 110.51 1qo6 n ASP 7 Ca 0.40 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.61 1qo6 n ASP 7 Cb 1.82 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 41.87 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1qo6 n SER 8 N 0.00 -2.57 0.00 -1.12 3.41 -1.26 -4.97 113.62 107.11 1qo6 n SER 8 Ca 0.00 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1qo6 n SER 8 Cb 0.00 1.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qo6 n GLY 9 N 0.99 0.26 2.89 5.00 0.00 -1.26 -5.05 105.19 108.03 1qo6 n GLY 9 Ca 0.07 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.99 2.52 -1.15 1.61 1.01 -1.26 -5.03 120.40 117.11 1qo6 s VAL 10 Ca 0.00 -3.56 -0.23 0.00 0.00 0.00 0.00 61.98 58.19 1qo6 s VAL 10 Cb 0.00 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1qo6 s VAL 10 CO 0.00 -0.89 1.94 0.52 0.00 0.00 0.00 175.10 176.67 1qo6 n VAL 11 N 2.75 1.82 -0.42 2.92 0.31 -1.26 -4.34 118.33 120.10 1qo6 n VAL 11 Ca 0.11 -1.87 -0.15 0.00 -0.01 0.00 0.00 64.34 62.42 1qo6 n VAL 11 Cb 0.34 -2.17 0.14 0.00 -0.91 0.00 0.00 33.84 31.23 1qo6 n VAL 11 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qo6 n TYR 12 N 14.16 -3.16 -4.24 3.52 4.01 0.76 -4.75 117.16 127.46 1qo6 n TYR 12 Ca 0.45 -0.46 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1qo6 n TYR 12 Cb 0.46 -0.61 -0.12 0.00 -0.31 0.00 0.00 39.34 38.76 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 -2.76 2.07 -0.72 7.72 0.01 -1.26 -1.01 113.70 117.75 1qo6 s SER 13 Ca 0.35 -0.72 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 1qo6 s SER 13 Cb -0.05 -0.09 -0.19 0.00 0.21 0.00 0.00 66.02 65.91 1qo6 s SER 13 CO 0.28 -0.06 1.92 0.55 0.41 0.00 0.00 173.24 176.34 1qo6 n VAL 14 N 0.90 0.00 0.00 3.43 3.14 0.99 -0.23 118.33 126.56 1qo6 n VAL 14 Ca -0.18 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 1qo6 n VAL 14 Cb 0.55 -0.88 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 5.70 1.29 0.06 7.55 0.00 -1.11 -5.02 105.19 113.66 1qo6 n GLY 15 Ca 0.41 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.53 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qo6 n MET 16 N -0.27 0.64 -1.50 1.61 0.00 0.68 -5.04 117.12 113.23 1qo6 n MET 16 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 57.70 57.65 1qo6 n MET 16 Cb 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 33.22 31.57 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 -2.46 -3.44 -3.86 2.12 6.02 -1.26 -4.99 117.38 109.51 1qo6 n GLN 17 Ca -0.04 2.68 -0.01 0.00 -0.01 0.00 0.00 57.00 59.62 1qo6 n GLN 17 Cb 0.59 -3.46 0.01 0.00 1.02 0.00 0.00 30.24 28.40 1qo6 n GLN 17 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 1qo6 s TRP 18 N -5.17 0.02 0.02 1.08 -2.14 -0.49 -5.01 118.94 107.25 1qo6 s TRP 18 Ca 0.00 -0.29 0.04 0.00 2.66 0.00 0.00 56.10 58.50 1qo6 s TRP 18 Cb 0.00 0.64 -0.02 0.00 -3.10 0.00 0.00 33.47 30.99 1qo6 s TRP 18 CO 0.00 -0.65 -0.11 -1.17 -2.66 0.00 0.00 176.95 172.36 1qo6 s LEU 19 N -3.39 2.13 0.03 -4.66 2.96 -1.26 -1.15 118.68 113.35 1qo6 s LEU 19 Ca 0.22 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1qo6 s LEU 19 Cb -0.01 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.18 1qo6 s LEU 19 CO 0.02 0.02 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.25 1qo6 s LYS 20 N -0.90 0.48 0.00 1.98 2.36 0.13 -4.84 119.74 118.96 1qo6 s LYS 20 Ca 0.00 -0.67 0.00 0.00 -2.55 0.00 0.00 55.97 52.76 1qo6 s LYS 20 Cb -0.07 -0.25 0.00 0.00 -1.05 0.00 0.00 37.83 36.46 1qo6 s LYS 20 CO 0.01 0.04 0.00 0.25 1.55 0.00 0.00 175.35 177.20 1qo6 n THR 21 N 1.67 0.00 0.00 3.43 -2.24 -1.26 -0.81 114.28 115.06 1qo6 n THR 21 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1qo6 n THR 21 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.00 0.00 0.00 -0.78 1.13 -1.26 -4.94 117.38 111.53 1qo6 n GLN 22 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1qo6 n GLN 22 Cb 0.00 -0.42 0.00 0.00 0.11 0.00 0.00 30.24 29.93 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 1.27 0.36 0.00 1.08 0.00 -1.26 -4.96 105.19 101.68 1qo6 n GLY 23 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1qo6 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 24 N 0.00 0.00 -0.32 1.61 2.85 -1.26 -5.11 115.26 113.04 1qo6 n ASN 24 Ca 0.00 -1.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.47 1qo6 n ASN 24 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1qo6 n LYS 25 N 0.00 3.62 -3.65 1.20 4.76 -1.26 -5.17 118.16 117.65 1qo6 n LYS 25 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1qo6 n LYS 25 Cb 0.49 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.60 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qo6 s GLN 26 N 0.52 0.76 -0.27 1.97 -0.21 -1.26 -4.48 119.66 116.70 1qo6 s GLN 26 Ca 0.00 0.62 -0.06 0.00 0.02 0.00 0.00 55.36 55.93 1qo6 s GLN 26 Cb 0.00 0.37 0.13 0.00 1.00 0.00 0.00 33.01 34.51 1qo6 s GLN 26 CO 0.00 -0.14 0.54 1.41 -2.12 0.00 0.00 175.29 174.98 1qo6 s MET 27 N -0.14 0.48 -0.25 2.91 1.75 0.01 0.26 119.30 124.32 1qo6 s MET 27 Ca -0.03 1.13 -0.22 0.00 -1.25 0.00 0.00 55.69 55.31 1qo6 s MET 27 Cb -0.03 0.49 -0.01 0.00 2.84 0.00 0.00 34.83 38.12 1qo6 s MET 27 CO 0.03 -0.36 0.72 -1.17 -0.65 0.00 0.00 175.02 173.59 1qo6 s LEU 28 N 2.77 4.07 0.05 4.11 2.96 -0.89 0.19 118.68 131.93 1qo6 s LEU 28 Ca 0.03 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1qo6 s LEU 28 Cb -0.13 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1qo6 s LEU 28 CO -0.17 -0.43 0.10 0.00 -1.32 0.00 0.00 176.35 174.52 1qo6 s THR 30 N -1.34 0.11 -0.31 0.00 2.01 0.70 -1.39 115.64 115.41 1qo6 s THR 30 Ca 0.28 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 1qo6 s THR 30 Cb -0.12 -0.81 0.06 0.00 0.01 0.00 0.00 72.50 71.64 1qo6 s THR 30 CO 0.20 -0.48 0.02 0.00 -0.69 0.00 0.00 174.62 173.67 1qo6 n LEU 32 N 4.60 0.00 0.00 0.00 -0.00 -0.71 -2.73 117.00 118.16 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 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1qo6 n LEU 32 CO 0.27 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.27 1qo6 n GLY 33 N 2.98 -0.05 0.10 1.47 0.00 -1.26 -4.56 105.19 103.87 1qo6 n GLY 33 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1qo6 n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qo6 n ASN 34 N -1.95 0.77 -0.52 1.61 6.94 -1.26 -4.85 115.26 116.00 1qo6 n ASN 34 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 1qo6 n ASN 34 Cb 0.00 0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1qo6 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qo6 n GLY 35 N 1.21 1.39 3.15 4.83 0.00 -1.26 -5.13 105.19 109.38 1qo6 n GLY 35 Ca 0.00 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1qo6 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 36 N -2.44 2.38 0.18 1.61 1.01 -1.26 -1.74 120.40 120.14 1qo6 s VAL 36 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1qo6 s VAL 36 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1qo6 s VAL 36 CO 0.00 0.42 0.16 -0.55 0.00 0.00 0.00 175.10 175.13 1qo6 s SER 37 N 1.30 5.61 0.21 3.32 0.15 0.27 -4.83 113.70 119.72 1qo6 s SER 37 Ca 0.03 -0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.49 1qo6 s SER 37 Cb -0.14 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.66 1qo6 s SER 37 CO -0.10 0.05 0.29 0.00 1.20 0.00 0.00 173.24 174.68 1qo6 s GLN 39 N -4.06 3.14 0.10 0.00 -0.21 0.23 -4.93 119.66 113.92 1qo6 s GLN 39 Ca 0.28 -0.75 -0.31 0.00 0.02 0.00 0.00 55.36 54.59 1qo6 s GLN 39 Cb 0.03 -2.75 -0.09 0.00 1.00 0.00 0.00 33.01 31.20 1qo6 s GLN 39 CO 0.08 -0.21 1.74 -2.00 -2.12 0.00 0.00 175.29 172.78 1qo6 s GLU 40 N 1.36 4.17 0.00 2.91 2.12 -1.26 -2.10 118.70 125.90 1qo6 s GLU 40 Ca 0.05 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.85 1qo6 s GLU 40 Cb -0.14 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1qo6 s GLU 40 CO -0.09 -0.78 0.00 2.41 -0.54 0.00 0.00 175.26 176.26 1qo6 n THR 41 N 4.70 0.00 -2.16 -1.70 -1.04 0.71 -4.67 114.28 110.12 1qo6 n THR 41 Ca 0.17 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.15 1qo6 n THR 41 Cb 0.39 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.88 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n ALA 42 N 0.00 -3.42 0.00 2.41 0.00 -1.22 -4.22 120.51 114.08 1qo6 n ALA 42 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 53.44 54.70 1qo6 n ALA 42 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 16.98 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 0.91 0.00 -4.92 0.00 0.24 -1.26 -5.00 118.33 108.29 1qo6 n VAL 43 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1qo6 n VAL 43 Cb 0.33 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1qo6 n THR 44 N -1.68 0.00 -4.07 3.34 -2.24 -1.26 -4.71 114.28 103.65 1qo6 n THR 44 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1qo6 n THR 44 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n GLN 45 N -1.45 1.35 -3.68 -0.78 6.02 -1.26 -5.03 117.38 112.55 1qo6 n GLN 45 Ca 0.00 -1.54 -0.12 0.00 -0.01 0.00 0.00 57.00 55.33 1qo6 n GLN 45 Cb 0.00 0.32 -0.12 0.00 1.02 0.00 0.00 30.24 31.46 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1qo6 s THR 46 N -1.55 -0.33 0.17 5.09 -4.23 -1.26 -4.02 115.64 109.52 1qo6 s THR 46 Ca 0.05 0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1qo6 s THR 46 Cb -0.00 -0.48 -0.05 0.00 1.34 0.00 0.00 72.50 73.31 1qo6 s THR 46 CO 0.03 0.09 0.00 -0.72 -0.54 0.00 0.00 174.62 173.49 1qo6 s TYR 47 N 2.09 1.17 0.00 3.99 -0.85 -1.22 -4.11 117.35 118.42 1qo6 s TYR 47 Ca -0.03 -1.03 0.00 0.00 -0.52 0.00 0.00 57.07 55.49 1qo6 s TYR 47 Cb -0.11 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.56 1qo6 s TYR 47 CO -0.10 -0.24 0.00 0.41 -1.52 0.00 0.00 175.55 174.11 1qo6 n GLY 48 N -0.22 1.50 6.78 5.49 0.00 -1.22 -2.49 105.19 115.03 1qo6 n GLY 48 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.63 0.00 -0.02 0.00 -1.26 -0.82 105.19 104.72 1qo6 n GLY 49 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 8.15 0.76 -0.33 1.61 2.85 0.47 -4.67 115.26 124.10 1qo6 n ASN 50 Ca 0.00 -0.42 0.06 0.00 -0.11 0.00 0.00 54.58 54.11 1qo6 n ASN 50 Cb 0.00 0.99 0.09 0.00 1.24 0.00 0.00 39.78 42.10 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qo6 n SER 51 N -1.06 1.40 -1.34 1.20 2.88 -1.05 -4.79 113.62 110.86 1qo6 n SER 51 Ca 0.00 -2.71 -0.16 0.00 -1.33 0.00 0.00 58.87 54.67 1qo6 n SER 51 Cb 0.00 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.04 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 -0.81 -5.08 -1.51 -3.46 5.15 -0.34 -3.53 115.26 105.69 1qo6 n ASN 52 Ca 0.10 0.41 -0.00 0.00 -0.60 0.00 0.00 54.58 54.49 1qo6 n ASN 52 Cb 0.69 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.64 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 -0.18 -0.81 3.73 8.20 0.00 -0.00 -3.42 105.19 112.71 1qo6 n GLY 53 Ca -0.16 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.96 2.16 -0.42 1.61 4.04 -1.23 -4.57 118.70 119.33 1qo6 s GLU 54 Ca 0.00 -2.03 -0.32 0.00 0.04 0.00 0.00 54.97 52.66 1qo6 s GLU 54 Cb -0.00 -1.83 -0.11 0.00 0.02 0.00 0.00 34.13 32.21 1qo6 s GLU 54 CO 0.01 -0.21 2.29 -2.30 -1.84 0.00 0.00 175.26 173.21 1qo6 n PRO 55 N -1.24 1.10 -0.70 -4.83 -0.02 -1.26 -4.88 135.00 123.17 1qo6 n PRO 55 Ca -0.05 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.34 1qo6 n PRO 55 Cb 0.66 -2.68 0.16 0.00 -0.02 0.00 0.00 33.50 31.62 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 -4.25 1.54 -4.44 0.00 3.14 0.71 -4.87 118.33 110.16 1qo6 n VAL 57 Ca 0.02 -4.93 -0.27 0.00 -2.96 0.00 0.00 64.34 56.19 1qo6 n VAL 57 Cb 0.60 -1.84 -0.09 0.00 -1.06 0.00 0.00 33.84 31.45 1qo6 n VAL 57 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1qo6 s LEU 58 N -2.30 2.93 0.08 6.55 1.02 -1.26 -3.94 118.68 121.75 1qo6 s LEU 58 Ca 0.40 -1.28 -0.31 0.00 0.02 0.00 0.00 54.13 52.96 1qo6 s LEU 58 Cb 0.19 -1.09 -0.09 0.00 0.02 0.00 0.00 46.19 45.22 1qo6 s LEU 58 CO -0.06 -0.52 1.70 -2.84 0.02 0.00 0.00 176.35 174.66 1qo6 s PRO 59 N -3.80 4.18 0.54 1.29 0.02 -1.26 -5.04 135.00 130.94 1qo6 s PRO 59 Ca 0.36 2.40 0.07 0.00 0.02 0.00 0.00 61.00 63.84 1qo6 s PRO 59 Cb 0.07 -3.62 0.05 0.00 0.02 0.00 0.00 34.50 31.02 1qo6 s PRO 59 CO 0.19 -0.77 0.49 -0.59 -0.33 0.00 0.00 177.00 175.99 1qo6 s PHE 60 N 2.73 1.65 -0.16 6.54 -0.12 -0.97 -4.88 117.98 122.77 1qo6 s PHE 60 Ca 0.76 -0.79 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 1qo6 s PHE 60 Cb -0.41 -1.99 0.02 0.00 -0.63 0.00 0.00 43.02 40.00 1qo6 s PHE 60 CO 0.33 -0.60 -0.20 0.99 -0.05 0.00 0.00 175.22 175.69 1qo6 s THR 61 N -2.73 1.98 -0.06 -4.49 2.01 -1.26 -2.14 115.64 108.94 1qo6 s THR 61 Ca 0.41 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1qo6 s THR 61 Cb -0.03 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.73 1qo6 s THR 61 CO 0.25 0.53 0.15 -0.47 -0.69 0.00 0.00 174.62 174.40 1qo6 s TYR 62 N 1.12 -0.17 0.00 4.92 5.04 -0.69 -4.82 117.35 122.75 1qo6 s TYR 62 Ca -0.00 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1qo6 s TYR 62 Cb -0.14 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.15 1qo6 s TYR 62 CO -0.08 -0.13 0.00 -1.71 -1.34 0.00 0.00 175.55 172.28 1qo6 n ASN 63 N 3.71 -1.70 0.00 4.32 2.85 -1.26 -2.19 115.26 120.99 1qo6 n ASN 63 Ca -0.21 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1qo6 n ASN 63 Cb 0.55 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 40.22 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 -1.72 0.47 0.00 8.20 0.00 -1.26 -5.07 105.19 105.81 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 -1.39 3.13 -4.13 1.61 1.85 -0.93 -5.10 116.66 111.70 1qo6 n ARG 65 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 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 1.10 0.64 -0.06 8.89 2.01 -1.26 -1.71 115.64 125.26 1qo6 s THR 66 Ca 0.00 -1.60 -0.06 0.00 0.31 0.00 0.00 61.69 60.34 1qo6 s THR 66 Cb 0.00 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1qo6 s THR 66 CO 0.00 -0.68 0.16 -0.36 -0.69 0.00 0.00 174.62 173.06 1qo6 s PHE 67 N -2.73 -0.16 -1.49 4.92 0.40 -0.91 -4.95 117.98 113.06 1qo6 s PHE 67 Ca 0.03 0.38 0.20 0.00 -0.60 0.00 0.00 56.93 56.95 1qo6 s PHE 67 Cb -0.01 0.05 0.68 0.00 0.51 0.00 0.00 43.02 44.26 1qo6 s PHE 67 CO -0.03 -0.11 1.59 0.66 0.70 0.00 0.00 175.22 178.03 1qo6 n TYR 68 N 2.83 1.25 -3.88 0.36 4.01 -1.26 -2.30 117.16 118.17 1qo6 n TYR 68 Ca -0.14 -0.56 -0.03 0.00 -0.16 0.00 0.00 57.90 57.02 1qo6 n TYR 68 Cb 0.58 -0.13 0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.35 -1.62 -4.42 7.72 7.64 -1.26 -4.79 113.62 118.24 1qo6 n SER 69 Ca 0.25 -1.83 -0.32 0.00 1.01 0.00 0.00 58.87 57.98 1qo6 n SER 69 Cb 0.77 2.63 0.16 0.00 -1.01 0.00 0.00 64.21 66.76 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 -2.38 0.00 -0.19 0.00 -1.32 -0.14 -4.80 115.64 106.80 1qo6 s THR 71 Ca 0.60 -0.83 0.17 0.00 -1.21 0.00 0.00 61.69 60.42 1qo6 s THR 71 Cb -0.19 -2.47 0.46 0.00 -1.51 0.00 0.00 72.50 68.78 1qo6 s THR 71 CO 0.65 0.00 1.17 0.35 -2.21 0.00 0.00 174.62 174.59 1qo6 n THR 72 N -0.54 1.52 1.77 5.08 -2.24 -1.26 0.14 114.28 118.75 1qo6 n THR 72 Ca -0.06 -2.87 0.03 0.00 -2.27 0.00 0.00 64.05 58.89 1qo6 n THR 72 Cb 0.60 0.21 0.16 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.49 1.18 -0.01 -0.78 -0.58 -1.26 -3.25 120.64 115.45 1qo6 n GLU 73 Ca 0.19 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1qo6 n GLU 73 Cb 0.90 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 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 0.69 1.30 2.82 0.62 0.00 -1.26 -5.00 105.19 104.35 1qo6 n GLY 74 Ca 0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 0.36 0.00 1.61 1.85 -1.20 -5.06 116.66 113.84 1qo6 n ARG 75 Ca 0.00 -2.93 0.00 0.00 -1.00 0.00 0.00 57.85 53.92 1qo6 n ARG 75 Cb 0.33 2.41 0.00 0.00 -1.05 0.00 0.00 32.46 34.15 1qo6 n ARG 75 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1qo6 n GLN 76 N -0.56 0.41 -0.06 2.89 6.02 -1.26 -4.88 117.38 119.94 1qo6 n GLN 76 Ca 0.07 -0.55 -0.05 0.00 -0.01 0.00 0.00 57.00 56.46 1qo6 n GLN 76 Cb 0.53 -0.69 -0.02 0.00 1.02 0.00 0.00 30.24 31.09 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 -0.10 1.37 0.00 1.08 8.00 -1.26 -5.05 116.55 120.59 1qo6 n ASP 77 Ca 0.00 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1qo6 n ASP 77 Cb 0.29 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 1.56 0.00 3.45 0.44 0.00 -1.26 -5.14 105.19 104.24 1qo6 n GLY 78 Ca -0.08 0.00 -0.38 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 0.00 3.16 0.09 1.61 3.76 -1.26 -5.06 115.29 117.59 1qo6 s HIS 79 Ca 0.00 -0.49 -0.31 0.00 -0.15 0.00 0.00 55.06 54.11 1qo6 s HIS 79 Cb 0.00 -2.32 -0.07 0.00 1.11 0.00 0.00 32.58 31.30 1qo6 s HIS 79 CO 0.00 -0.41 1.24 -0.51 -0.85 0.00 0.00 174.74 174.21 1qo6 s LEU 80 N 1.62 4.38 0.06 0.89 1.02 -1.26 -4.47 118.68 120.93 1qo6 s LEU 80 Ca 0.05 2.12 0.02 0.00 0.02 0.00 0.00 54.13 56.34 1qo6 s LEU 80 Cb -0.16 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.43 1qo6 s LEU 80 CO 0.06 -0.49 -0.08 -1.66 0.02 0.00 0.00 176.35 174.20 1qo6 s TRP 81 N 0.88 0.77 0.11 0.29 1.48 0.12 0.24 118.94 122.83 1qo6 s TRP 81 Ca 0.59 -0.59 0.03 0.00 -1.06 0.00 0.00 56.10 55.07 1qo6 s TRP 81 Cb -0.32 -0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 31.50 1qo6 s TRP 81 CO 0.31 -0.08 -0.09 0.00 -4.06 0.00 0.00 176.95 173.03 1qo6 s SER 83 N -2.85 7.59 -0.06 0.00 0.15 -1.26 0.66 113.70 117.94 1qo6 s SER 83 Ca 0.10 1.92 0.04 0.00 0.70 0.00 0.00 55.95 58.72 1qo6 s SER 83 Cb 0.02 -2.60 -0.25 0.00 -1.71 0.00 0.00 66.02 61.48 1qo6 s SER 83 CO -0.02 0.13 0.59 0.71 1.20 0.00 0.00 173.24 175.85 1qo6 h THR 84 N 3.08 0.81 -2.68 6.45 1.35 -1.74 2.09 112.91 122.28 1qo6 h THR 84 Ca -0.45 -2.60 -0.49 0.00 -0.55 0.00 0.00 66.41 62.31 1qo6 h THR 84 Cb 1.20 2.49 -0.14 0.00 -1.73 0.00 0.00 68.15 69.97 1qo6 h THR 84 CO 0.67 0.67 -0.73 0.28 -0.25 0.00 0.00 175.52 176.17 1qo6 s THR 85 N -2.59 1.87 0.14 6.82 -1.32 -1.26 -4.15 115.64 115.15 1qo6 s THR 85 Ca -0.11 -2.23 -0.25 0.00 -1.21 0.00 0.00 61.69 57.88 1qo6 s THR 85 Cb 0.07 -2.19 -0.02 0.00 -1.51 0.00 0.00 72.50 68.85 1qo6 s THR 85 CO 0.81 -0.49 1.62 -1.28 -2.21 0.00 0.00 174.62 173.07 1qo6 h SER 86 N 2.43 -0.91 -2.21 8.08 0.87 -1.93 -3.24 113.55 116.64 1qo6 h SER 86 Ca -0.39 0.14 -0.73 0.00 -1.23 0.00 0.00 61.79 59.58 1qo6 h SER 86 Cb 1.23 0.39 -0.18 0.00 -0.44 0.00 0.00 62.40 63.41 1qo6 h SER 86 CO 0.63 -0.34 1.26 0.20 -0.53 0.00 0.00 176.83 178.04 1qo6 s ASN 87 N -4.93 6.99 0.14 6.23 -0.87 -1.26 -4.76 114.94 116.48 1qo6 s ASN 87 Ca -0.15 -2.82 0.06 0.00 -1.57 0.00 0.00 52.86 48.38 1qo6 s ASN 87 Cb 0.10 -2.40 -0.10 0.00 -0.02 0.00 0.00 41.25 38.83 1qo6 s ASN 87 CO 0.66 -0.81 1.33 0.22 -2.57 0.00 0.00 177.10 175.94 1qo6 h TYR 88 N 7.47 0.10 0.00 2.20 3.20 -1.91 -2.14 116.97 125.89 1qo6 h TYR 88 Ca 0.29 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1qo6 h TYR 88 Cb 0.90 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1qo6 h TYR 88 CO 1.12 0.97 0.00 0.39 -1.64 0.00 0.00 178.16 179.00 1qo6 n GLU 89 N -3.49 0.01 -0.12 1.82 1.02 -1.26 0.85 120.64 119.47 1qo6 n GLU 89 Ca -0.02 0.20 -0.24 0.00 -0.02 0.00 0.00 57.16 57.08 1qo6 n GLU 89 Cb 0.88 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.54 0.55 -0.06 3.49 -0.06 -1.15 -4.71 117.38 113.91 1qo6 n GLN 90 Ca 0.04 0.20 -0.19 0.00 -2.00 0.00 0.00 57.00 55.06 1qo6 n GLN 90 Cb 0.21 -1.42 -0.13 0.00 -4.06 0.00 0.00 30.24 24.85 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 -0.62 0.12 -0.99 1.69 3.32 -1.39 -3.49 116.42 115.06 1qo6 h ASP 91 Ca -0.61 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 55.67 1qo6 h ASP 91 Cb 1.64 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1qo6 h ASP 91 CO -0.29 1.36 0.00 1.67 -1.72 0.00 0.00 179.24 180.26 1qo6 n GLN 92 N -4.34 0.00 -4.09 3.56 -0.06 0.25 -5.07 117.38 107.63 1qo6 n GLN 92 Ca -0.22 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.46 1qo6 n GLN 92 Cb 0.68 -2.36 -0.16 0.00 -4.06 0.00 0.00 30.24 24.34 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 -4.67 2.76 0.32 3.69 0.00 -1.26 -5.02 119.74 115.56 1qo6 s LYS 93 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 55.97 55.23 1qo6 s LYS 93 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 37.83 35.34 1qo6 s LYS 93 CO 0.00 -0.23 0.11 1.52 0.00 0.00 0.00 175.35 176.75 1qo6 s TYR 94 N 1.34 1.70 0.02 1.78 -0.85 -1.26 -2.32 117.35 117.76 1qo6 s TYR 94 Ca 0.05 -1.21 0.05 0.00 -0.52 0.00 0.00 57.07 55.43 1qo6 s TYR 94 Cb -0.13 -1.03 -0.02 0.00 0.38 0.00 0.00 41.96 41.17 1qo6 s TYR 94 CO -0.12 -0.31 -0.14 -1.54 -1.52 0.00 0.00 175.55 171.93 1qo6 s SER 95 N -3.43 1.62 1.12 -0.18 1.04 0.21 -0.39 113.70 113.69 1qo6 s SER 95 Ca 0.34 -0.36 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 1qo6 s SER 95 Cb 0.06 -0.14 0.21 0.00 0.10 0.00 0.00 66.02 66.25 1qo6 s SER 95 CO 0.15 0.09 0.86 0.49 0.98 0.00 0.00 173.24 175.82 1qo6 n PHE 96 N 2.30 -3.77 -3.82 5.02 3.72 -1.04 0.18 117.46 120.04 1qo6 n PHE 96 Ca -0.16 -0.78 -0.12 0.00 -0.05 0.00 0.00 57.45 56.34 1qo6 n PHE 96 Cb 0.55 -0.81 -0.11 0.00 -0.94 0.00 0.00 39.48 38.17 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 h THR 98 N 4.47 1.29 0.00 0.00 1.35 -1.87 -3.37 112.91 114.78 1qo6 h THR 98 Ca -0.28 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1qo6 h THR 98 Cb 1.19 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1qo6 h THR 98 CO 0.39 0.47 0.00 0.47 -0.25 0.00 0.00 175.52 176.60 1qo6 n ASP 99 N -4.06 0.00 0.00 5.36 8.00 -1.26 -4.72 116.55 119.86 1qo6 n ASP 99 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1qo6 n ASP 99 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qo6 n HIS 100 N 0.00 0.00 -0.12 1.24 8.25 -1.26 -5.03 115.22 118.31 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qo6 n HIS 100 Cb 0.00 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61