#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 -0.23 3.13 2.72 0.00 -1.26 -4.80 105.19 104.76 1qo6 n GLY 2 Ca 0.00 0.64 0.03 0.00 0.00 0.00 0.00 46.02 46.69 1qo6 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qo6 s HIS 3 N 9.36 -1.80 0.56 1.61 5.04 -1.26 -3.68 115.29 125.12 1qo6 s HIS 3 Ca 1.16 1.06 0.07 0.00 -1.54 0.00 0.00 55.06 55.81 1qo6 s HIS 3 Cb -0.65 0.30 0.07 0.00 0.04 0.00 0.00 32.58 32.34 1qo6 s HIS 3 CO 0.36 -1.07 0.77 0.00 -2.34 0.00 0.00 174.74 172.46 1qo6 s VAL 5 N -2.68 0.04 -2.38 0.00 1.01 -1.26 0.11 120.40 115.24 1qo6 s VAL 5 Ca 0.61 -0.30 0.22 0.00 0.00 0.00 0.00 61.98 62.50 1qo6 s VAL 5 Cb -0.07 -1.00 0.43 0.00 0.00 0.00 0.00 36.38 35.74 1qo6 s VAL 5 CO 0.38 -0.17 1.46 0.35 0.00 0.00 0.00 175.10 177.13 1qo6 n THR 6 N 0.27 0.36 -0.87 3.92 -2.24 -0.95 -4.90 114.28 109.87 1qo6 n THR 6 Ca -0.18 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1qo6 n THR 6 Cb 0.61 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1qo6 n THR 6 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qo6 n ASP 7 N 0.92 -0.01 -0.06 3.42 9.92 -1.26 -4.79 116.55 124.69 1qo6 n ASP 7 Ca 0.18 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.40 1qo6 n ASP 7 Cb 0.47 -0.66 -0.15 0.00 -0.64 0.00 0.00 41.12 40.13 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qo6 n SER 8 N -0.00 0.16 0.00 -2.24 2.88 -1.26 -4.98 113.62 108.17 1qo6 n SER 8 Ca 0.00 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1qo6 n SER 8 Cb 0.00 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 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 1.57 0.79 3.68 0.46 0.00 -1.26 -5.12 105.19 105.29 1qo6 n GLY 9 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 4.94 -0.76 1.61 1.01 -1.26 -4.99 120.40 120.95 1qo6 s VAL 10 Ca 0.00 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 1qo6 s VAL 10 Cb 0.00 -4.08 0.20 0.00 0.00 0.00 0.00 36.38 32.50 1qo6 s VAL 10 CO 0.00 0.09 0.69 -0.69 0.00 0.00 0.00 175.10 175.19 1qo6 s VAL 11 N 1.84 5.37 -0.12 2.92 1.01 -1.26 -2.25 120.40 127.92 1qo6 s VAL 11 Ca 0.36 -2.36 -0.28 0.00 0.00 0.00 0.00 61.98 59.70 1qo6 s VAL 11 Cb -0.17 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 1qo6 s VAL 11 CO 0.13 -0.99 0.94 -0.31 0.00 0.00 0.00 175.10 174.88 1qo6 s TYR 12 N 0.37 3.50 1.14 5.22 2.02 0.30 -4.71 117.35 125.19 1qo6 s TYR 12 Ca 0.15 1.49 -0.17 0.00 -0.37 0.00 0.00 57.07 58.18 1qo6 s TYR 12 Cb -0.14 -3.12 0.26 0.00 -0.40 0.00 0.00 41.96 38.56 1qo6 s TYR 12 CO -0.07 -0.20 1.09 -1.12 -1.57 0.00 0.00 175.55 173.68 1qo6 s SER 13 N 1.09 1.42 -1.23 2.29 0.01 -1.26 0.28 113.70 116.30 1qo6 s SER 13 Ca 0.45 0.85 -0.20 0.00 1.31 0.00 0.00 55.95 58.37 1qo6 s SER 13 Cb -0.18 -1.27 0.05 0.00 0.21 0.00 0.00 66.02 64.83 1qo6 s SER 13 CO 0.17 -3.84 1.71 0.54 0.41 0.00 0.00 173.24 172.23 1qo6 s VAL 14 N -2.95 4.01 0.00 3.43 0.11 -1.24 -2.89 120.40 120.86 1qo6 s VAL 14 Ca 0.69 -1.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1qo6 s VAL 14 Cb -0.14 -5.08 0.00 0.00 -1.53 0.00 0.00 36.38 29.63 1qo6 s VAL 14 CO 0.57 -1.88 0.00 0.61 -3.33 0.00 0.00 175.10 171.07 1qo6 n GLY 15 N 5.76 -0.42 2.25 6.54 0.00 -0.96 -4.90 105.19 113.46 1qo6 n GLY 15 Ca 0.45 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 2.19 -0.33 1.61 0.00 -1.14 -4.97 117.12 114.47 1qo6 n MET 16 Ca 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 57.70 55.43 1qo6 n MET 16 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 33.22 31.24 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 0.52 0.00 -2.20 2.12 6.02 -1.26 -4.89 117.38 117.70 1qo6 n GLN 17 Ca 0.42 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.38 1qo6 n GLN 17 Cb 0.56 -0.39 -0.01 0.00 1.02 0.00 0.00 30.24 31.43 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1qo6 n TRP 18 N 2.02 -0.04 -4.07 1.08 2.14 -0.91 -4.99 117.44 112.67 1qo6 n TRP 18 Ca 0.15 -0.23 -0.28 0.00 2.07 0.00 0.00 57.50 59.20 1qo6 n TRP 18 Cb -0.01 -0.03 -0.17 0.00 -0.81 0.00 0.00 31.31 30.29 1qo6 n TRP 18 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1qo6 s LEU 19 N 0.00 1.51 -0.13 5.67 2.01 -1.26 -2.15 118.68 124.33 1qo6 s LEU 19 Ca 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 54.13 53.74 1qo6 s LEU 19 Cb -0.00 -1.03 -0.01 0.00 0.01 0.00 0.00 46.19 45.16 1qo6 s LEU 19 CO 0.00 -0.06 -0.15 -1.59 1.01 0.00 0.00 176.35 175.56 1qo6 s LYS 20 N 1.45 3.31 -0.01 1.70 -2.85 0.87 -4.95 119.74 119.26 1qo6 s LYS 20 Ca 0.02 -0.72 0.11 0.00 -1.00 0.00 0.00 55.97 54.38 1qo6 s LYS 20 Cb -0.13 -2.59 -0.14 0.00 -2.06 0.00 0.00 37.83 32.90 1qo6 s LYS 20 CO -0.08 0.17 0.41 2.41 0.10 0.00 0.00 175.35 178.35 1qo6 n THR 21 N 3.64 0.00 -2.51 3.79 -1.04 -1.26 0.13 114.28 117.03 1qo6 n THR 21 Ca -0.18 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.18 1qo6 n THR 21 Cb 0.53 0.74 -0.03 0.00 -1.82 0.00 0.00 70.33 69.75 1qo6 n THR 21 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qo6 s GLN 22 N -2.32 3.51 0.00 -2.82 -1.52 -1.26 -3.29 119.66 111.97 1qo6 s GLN 22 Ca 0.01 -1.10 0.00 0.00 -1.95 0.00 0.00 55.36 52.33 1qo6 s GLN 22 Cb 0.08 -5.34 0.00 0.00 -0.22 0.00 0.00 33.01 27.53 1qo6 s GLN 22 CO 0.47 -2.33 0.00 0.41 -0.25 0.00 0.00 175.29 173.59 1qo6 n GLY 23 N 6.79 0.13 0.74 3.09 0.00 -1.26 -5.03 105.19 109.65 1qo6 n GLY 23 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.35 0.11 1.61 2.85 -1.21 -5.08 115.26 113.20 1qo6 n ASN 24 Ca 0.00 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1qo6 n ASN 24 Cb 0.00 0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1qo6 n LYS 25 N -2.14 0.00 -3.49 1.20 2.85 -1.24 -5.11 118.16 110.22 1qo6 n LYS 25 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1qo6 n LYS 25 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 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 -1.48 0.25 -0.14 -1.58 -0.21 -1.26 -4.40 119.66 110.84 1qo6 s GLN 26 Ca 0.00 0.51 -0.00 0.00 0.02 0.00 0.00 55.36 55.88 1qo6 s GLN 26 Cb 0.00 -0.57 0.03 0.00 1.00 0.00 0.00 33.01 33.47 1qo6 s GLN 26 CO 0.00 -0.54 -0.08 1.41 -2.12 0.00 0.00 175.29 173.96 1qo6 s MET 27 N 2.45 1.68 -0.37 2.91 1.75 0.34 0.21 119.30 128.27 1qo6 s MET 27 Ca 0.07 -0.40 -0.29 0.00 -1.25 0.00 0.00 55.69 53.82 1qo6 s MET 27 Cb -0.15 -1.83 0.01 0.00 2.84 0.00 0.00 34.83 35.71 1qo6 s MET 27 CO -0.13 -0.31 1.26 -1.17 -0.65 0.00 0.00 175.02 174.02 1qo6 s LEU 28 N 1.63 3.76 0.05 4.11 2.96 0.07 -0.09 118.68 131.16 1qo6 s LEU 28 Ca 0.04 0.92 -0.06 0.00 -0.22 0.00 0.00 54.13 54.81 1qo6 s LEU 28 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1qo6 s LEU 28 CO -0.09 -1.18 0.31 0.00 -1.32 0.00 0.00 176.35 174.07 1qo6 s THR 30 N -1.39 -0.26 -0.74 0.00 2.01 -0.54 -2.13 115.64 112.60 1qo6 s THR 30 Ca 0.31 -0.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 1qo6 s THR 30 Cb -0.13 -0.57 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1qo6 s THR 30 CO 0.19 -0.15 1.25 0.00 -0.69 0.00 0.00 174.62 175.21 1qo6 n LEU 32 N 9.18 0.00 0.01 0.00 -0.00 0.34 -2.26 117.00 124.26 1qo6 n LEU 32 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.86 1qo6 n LEU 32 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.81 1qo6 n LEU 32 CO 0.70 -0.01 0.20 1.23 -0.00 0.00 0.00 177.39 179.51 1qo6 h GLY 33 N 0.00 0.69 2.00 1.47 0.00 -1.95 -3.22 103.07 102.05 1qo6 h GLY 33 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 47.33 46.15 1qo6 h GLY 33 CO 0.00 0.99 -0.31 3.45 0.00 0.00 0.00 176.54 180.67 1qo6 h ASN 34 N 0.25 0.00 0.00 0.19 -1.07 -1.99 -3.49 115.58 109.47 1qo6 h ASN 34 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.28 1qo6 h ASN 34 Cb 1.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 1qo6 h ASN 34 CO 0.16 0.31 0.00 0.61 0.07 0.00 0.00 177.43 178.58 1qo6 n GLY 35 N 0.13 -0.54 2.81 9.14 0.00 -1.22 -5.11 105.19 110.40 1qo6 n GLY 35 Ca -0.00 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.48 -0.13 1.61 1.01 -1.26 0.12 120.40 122.23 1qo6 s VAL 36 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1qo6 s VAL 36 Cb 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1qo6 s VAL 36 CO 0.00 0.26 -0.15 -0.55 0.00 0.00 0.00 175.10 174.66 1qo6 s SER 37 N 1.70 2.61 0.37 3.32 0.15 -0.01 -4.91 113.70 116.93 1qo6 s SER 37 Ca 0.01 -0.47 0.08 0.00 0.70 0.00 0.00 55.95 56.27 1qo6 s SER 37 Cb -0.13 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.98 1qo6 s SER 37 CO -0.04 -0.02 0.20 0.00 1.20 0.00 0.00 173.24 174.58 1qo6 s GLN 39 N -3.92 3.40 -1.05 0.00 -0.21 0.72 -4.86 119.66 113.73 1qo6 s GLN 39 Ca 0.41 -0.62 -0.27 0.00 0.02 0.00 0.00 55.36 54.90 1qo6 s GLN 39 Cb -0.01 -3.09 -0.22 0.00 1.00 0.00 0.00 33.01 30.68 1qo6 s GLN 39 CO 0.24 -0.22 2.15 -2.00 -2.12 0.00 0.00 175.29 173.35 1qo6 s GLU 40 N 1.50 1.17 0.00 2.91 2.12 -1.26 -0.75 118.70 124.39 1qo6 s GLU 40 Ca 0.06 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1qo6 s GLU 40 Cb -0.15 -4.95 0.00 0.00 0.26 0.00 0.00 34.13 29.29 1qo6 s GLU 40 CO -0.02 -5.47 0.00 2.41 -0.54 0.00 0.00 175.26 171.65 1qo6 n THR 41 N 9.06 0.00 0.00 -1.70 -1.04 0.58 -4.43 114.28 116.75 1qo6 n THR 41 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1qo6 n THR 41 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.08 0.00 0.00 2.41 0.00 -1.24 -4.90 120.51 116.86 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 1.55 0.00 0.00 0.00 177.50 179.05 1qo6 n VAL 43 N 0.00 0.00 -2.62 0.00 3.14 -1.26 -5.11 118.33 112.47 1qo6 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1qo6 n VAL 43 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1qo6 n THR 44 N -0.03 0.00 -4.21 1.55 -2.24 -1.26 -4.90 114.28 103.19 1qo6 n THR 44 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1qo6 n THR 44 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qo6 s GLN 45 N -1.97 2.19 -0.27 -0.78 -1.52 -1.26 -5.03 119.66 111.01 1qo6 s GLN 45 Ca 0.00 -1.89 -0.23 0.00 -1.95 0.00 0.00 55.36 51.29 1qo6 s GLN 45 Cb 0.00 -1.93 0.08 0.00 -0.22 0.00 0.00 33.01 30.94 1qo6 s GLN 45 CO 0.00 -0.11 0.74 0.95 -0.25 0.00 0.00 175.29 176.62 1qo6 s THR 46 N -2.62 0.00 -0.28 -0.19 -4.23 -1.25 -3.81 115.64 103.25 1qo6 s THR 46 Ca 0.40 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.68 1qo6 s THR 46 Cb 0.05 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 73.02 1qo6 s THR 46 CO 0.22 0.00 1.03 -0.72 -0.54 0.00 0.00 174.62 174.61 1qo6 s TYR 47 N 0.65 -0.48 0.00 3.99 1.13 -1.26 -4.78 117.35 116.60 1qo6 s TYR 47 Ca -0.02 1.13 0.00 0.00 -1.41 0.00 0.00 57.07 56.77 1qo6 s TYR 47 Cb -0.05 0.37 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1qo6 s TYR 47 CO -0.04 -0.23 0.00 0.41 -2.51 0.00 0.00 175.55 173.17 1qo6 n GLY 48 N 2.49 2.98 7.00 5.49 0.00 -1.26 -4.22 105.19 117.68 1qo6 n GLY 48 Ca -0.14 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 3.36 0.00 -0.02 0.00 -1.26 -0.62 105.19 106.65 1qo6 n GLY 49 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 3.68 4.49 -0.96 1.61 5.15 -1.06 -4.60 115.26 123.57 1qo6 n ASN 50 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1qo6 n ASN 50 Cb 0.00 0.98 0.20 0.00 -0.53 0.00 0.00 39.78 40.43 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 -1.69 2.93 -0.44 1.20 7.64 -0.03 -4.83 113.62 118.40 1qo6 n SER 51 Ca -0.01 -1.93 -0.06 0.00 1.01 0.00 0.00 58.87 57.88 1qo6 n SER 51 Cb 0.17 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.22 -5.35 -0.17 6.43 5.15 0.21 -3.80 115.26 118.95 1qo6 n ASN 52 Ca 0.16 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1qo6 n ASN 52 Cb 0.56 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.46 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 -0.07 0.63 3.46 8.20 0.00 -1.22 -4.24 105.19 111.97 1qo6 n GLY 53 Ca -0.06 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.61 1.66 0.26 1.61 0.41 -1.25 -4.93 118.70 114.84 1qo6 s GLU 54 Ca 0.00 -1.90 -0.31 0.00 -0.41 0.00 0.00 54.97 52.36 1qo6 s GLU 54 Cb 0.00 -1.06 -0.12 0.00 -1.78 0.00 0.00 34.13 31.16 1qo6 s GLU 54 CO 0.00 -0.09 1.53 -2.30 -0.49 0.00 0.00 175.26 173.91 1qo6 n PRO 55 N -0.69 2.42 -2.51 0.39 -0.02 -1.26 -4.89 135.00 128.44 1qo6 n PRO 55 Ca -0.04 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 1qo6 n PRO 55 Cb 0.66 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.46 2.77 -4.27 0.00 3.14 0.52 -4.90 118.33 114.13 1qo6 n VAL 57 Ca 0.06 -5.24 -0.24 0.00 -2.96 0.00 0.00 64.34 55.95 1qo6 n VAL 57 Cb 0.54 -2.16 -0.08 0.00 -1.06 0.00 0.00 33.84 31.08 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 -2.14 3.06 0.32 6.55 -0.00 -1.26 -4.03 118.68 121.16 1qo6 s LEU 58 Ca 0.34 -0.95 -0.29 0.00 -0.00 0.00 0.00 54.13 53.23 1qo6 s LEU 58 Cb 0.06 -1.44 -0.10 0.00 -0.00 0.00 0.00 46.19 44.71 1qo6 s LEU 58 CO -0.05 -0.27 1.25 -2.84 -0.00 0.00 0.00 176.35 174.44 1qo6 s PRO 59 N -3.76 4.43 0.54 1.48 0.02 -1.26 -5.02 135.00 131.43 1qo6 s PRO 59 Ca 0.36 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.51 1qo6 s PRO 59 Cb -0.00 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.43 1qo6 s PRO 59 CO 0.20 -0.08 0.17 -0.59 -0.33 0.00 0.00 177.00 176.37 1qo6 s PHE 60 N -1.14 1.69 -0.10 6.54 -0.12 -0.97 -4.90 117.98 118.98 1qo6 s PHE 60 Ca 0.48 -0.94 0.01 0.00 -0.05 0.00 0.00 56.93 56.43 1qo6 s PHE 60 Cb -0.38 -1.72 0.02 0.00 -0.63 0.00 0.00 43.02 40.31 1qo6 s PHE 60 CO 0.50 -0.09 -0.12 0.99 -0.05 0.00 0.00 175.22 176.44 1qo6 s THR 61 N -2.85 1.27 -0.03 -4.49 2.01 -1.26 -2.21 115.64 108.08 1qo6 s THR 61 Ca 0.15 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1qo6 s THR 61 Cb -0.01 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1qo6 s THR 61 CO 0.09 0.40 0.03 -0.47 -0.69 0.00 0.00 174.62 173.98 1qo6 s TYR 62 N 1.08 0.12 0.00 4.92 5.04 -0.85 -4.78 117.35 122.88 1qo6 s TYR 62 Ca -0.06 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1qo6 s TYR 62 Cb -0.15 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.79 1qo6 s TYR 62 CO -0.02 -0.14 0.00 0.09 -1.34 0.00 0.00 175.55 174.14 1qo6 n ASN 63 N 4.60 -2.54 0.00 4.32 3.02 -1.26 -2.03 115.26 121.37 1qo6 n ASN 63 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1qo6 n ASN 63 Cb 0.50 -1.76 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 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 -1.37 1.14 0.00 7.41 0.00 -1.26 -5.09 105.19 106.02 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 -1.02 1.60 -3.98 1.61 0.00 -0.86 -5.08 116.66 108.94 1qo6 n ARG 65 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.35 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 1.27 0.13 -0.03 8.89 2.01 -1.26 -2.01 115.64 124.64 1qo6 s THR 66 Ca 0.00 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 1qo6 s THR 66 Cb 0.00 -0.52 0.03 0.00 0.01 0.00 0.00 72.50 72.01 1qo6 s THR 66 CO 0.00 -0.57 0.02 -0.36 -0.69 0.00 0.00 174.62 173.02 1qo6 s PHE 67 N -1.92 0.14 -1.21 4.92 0.40 -0.94 -4.95 117.98 114.41 1qo6 s PHE 67 Ca -0.11 0.09 0.27 0.00 -0.60 0.00 0.00 56.93 56.58 1qo6 s PHE 67 Cb -0.06 -0.33 1.24 0.00 0.51 0.00 0.00 43.02 44.38 1qo6 s PHE 67 CO -0.02 -0.12 1.88 0.66 0.70 0.00 0.00 175.22 178.32 1qo6 n TYR 68 N 4.29 0.00 -2.69 0.36 4.01 -1.26 -2.30 117.16 119.57 1qo6 n TYR 68 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1qo6 n TYR 68 Cb 0.50 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qo6 n SER 69 N -1.39 0.00 -4.28 7.72 2.88 -1.26 -4.67 113.62 112.62 1qo6 n SER 69 Ca 0.10 -0.20 -0.34 0.00 -1.33 0.00 0.00 58.87 57.10 1qo6 n SER 69 Cb 0.26 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.83 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qo6 n THR 71 N -3.60 0.00 -3.23 0.00 5.66 0.31 -4.89 114.28 108.52 1qo6 n THR 71 Ca 0.03 -0.14 -0.21 0.00 -3.05 0.00 0.00 64.05 60.67 1qo6 n THR 71 Cb 0.58 0.27 -0.07 0.00 -1.55 0.00 0.00 70.33 69.55 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 -0.33 -0.91 0.00 1.09 -2.24 -1.26 -0.05 114.28 110.58 1qo6 n THR 72 Ca 0.00 -2.89 0.00 0.00 -2.27 0.00 0.00 64.05 58.89 1qo6 n THR 72 Cb 0.23 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 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 2.75 0.63 -2.55 -0.78 -0.58 -1.26 -4.86 120.64 113.99 1qo6 n GLU 73 Ca 0.26 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.67 1qo6 n GLU 73 Cb 0.50 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.57 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 2.54 5.83 3.31 0.62 0.00 -1.26 -5.01 105.19 111.22 1qo6 n GLY 74 Ca 0.00 -2.67 -0.17 0.00 0.00 0.00 0.00 46.02 43.18 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 -3.84 1.22 -0.09 1.61 1.70 -1.26 -5.05 118.95 113.24 1qo6 s ARG 75 Ca 0.47 -1.54 0.13 0.00 -0.47 0.00 0.00 55.73 54.32 1qo6 s ARG 75 Cb 0.32 -0.88 0.20 0.00 -0.57 0.00 0.00 34.95 34.01 1qo6 s ARG 75 CO -0.20 0.12 1.10 1.04 -1.08 0.00 0.00 175.30 176.28 1qo6 n GLN 76 N -0.31 1.68 0.00 3.89 6.02 -1.26 -4.90 117.38 122.50 1qo6 n GLN 76 Ca -0.09 -2.23 0.00 0.00 -0.01 0.00 0.00 57.00 54.67 1qo6 n GLN 76 Cb 0.61 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1qo6 n ASP 77 N -1.14 0.00 0.00 1.08 -0.08 -1.26 -5.09 116.55 110.06 1qo6 n ASP 77 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1qo6 n ASP 77 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qo6 n GLY 78 N 2.19 0.00 3.30 0.27 0.00 -1.26 -5.16 105.19 104.53 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 -2.38 0.00 0.00 0.00 173.32 170.94 1qo6 s HIS 79 N 0.00 2.34 0.44 1.61 -3.43 -1.26 -5.11 115.29 109.88 1qo6 s HIS 79 Ca 0.00 -0.49 -0.25 0.00 -0.80 0.00 0.00 55.06 53.52 1qo6 s HIS 79 Cb 0.00 -1.51 -0.08 0.00 -1.43 0.00 0.00 32.58 29.56 1qo6 s HIS 79 CO 0.00 -0.07 1.36 -0.51 -2.00 0.00 0.00 174.74 173.52 1qo6 s LEU 80 N -0.53 4.13 0.05 5.38 1.02 -1.26 -4.81 118.68 122.66 1qo6 s LEU 80 Ca 0.08 2.78 -0.07 0.00 0.02 0.00 0.00 54.13 56.94 1qo6 s LEU 80 Cb -0.11 -3.96 -0.01 0.00 0.02 0.00 0.00 46.19 42.13 1qo6 s LEU 80 CO -0.00 -1.07 0.13 -1.66 0.02 0.00 0.00 176.35 173.76 1qo6 s TRP 81 N -1.25 0.19 0.35 0.29 1.48 0.92 -0.53 118.94 120.39 1qo6 s TRP 81 Ca 0.60 -0.52 0.04 0.00 -1.06 0.00 0.00 56.10 55.16 1qo6 s TRP 81 Cb -0.41 -0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 31.75 1qo6 s TRP 81 CO 0.52 -0.42 0.14 0.00 -4.06 0.00 0.00 176.95 173.13 1qo6 s SER 83 N -3.47 6.31 0.00 0.00 1.04 -1.26 -0.74 113.70 115.57 1qo6 s SER 83 Ca 0.32 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1qo6 s SER 83 Cb 0.05 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1qo6 s SER 83 CO 0.16 0.19 0.00 0.35 0.98 0.00 0.00 173.24 174.92 1qo6 n THR 84 N 0.44 0.00 -4.59 2.02 -2.24 -0.64 0.20 114.28 109.47 1qo6 n THR 84 Ca -0.06 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 1qo6 n THR 84 Cb 0.51 -0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.99 2.76 0.57 4.28 2.01 -1.23 -4.43 115.64 117.61 1qo6 s THR 85 Ca 0.00 -0.75 0.44 0.00 0.31 0.00 0.00 61.69 61.69 1qo6 s THR 85 Cb 0.00 -2.16 0.64 0.00 0.01 0.00 0.00 72.50 70.99 1qo6 s THR 85 CO 0.00 0.52 1.48 -0.24 -0.69 0.00 0.00 174.62 175.68 1qo6 n SER 86 N 3.94 0.00 -3.76 3.53 2.88 -1.26 -1.58 113.62 117.36 1qo6 n SER 86 Ca -0.19 0.92 -0.28 0.00 -1.33 0.00 0.00 58.87 57.99 1qo6 n SER 86 Cb 0.52 -0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 1qo6 n SER 86 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1qo6 n ASN 87 N -3.72 3.36 0.24 -3.46 4.05 -1.26 -4.83 115.26 109.64 1qo6 n ASN 87 Ca 0.39 -3.29 0.14 0.00 0.45 0.00 0.00 54.58 52.27 1qo6 n ASN 87 Cb 1.88 -0.75 0.40 0.00 1.23 0.00 0.00 39.78 42.54 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1qo6 h TYR 88 N 5.02 0.00 0.00 1.20 5.03 -1.63 0.12 116.97 126.71 1qo6 h TYR 88 Ca 0.17 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1qo6 h TYR 88 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1qo6 h TYR 88 CO 0.70 0.00 0.00 0.93 -1.32 0.00 0.00 178.16 178.47 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.88 -0.90 114.58 118.71 1qo6 h GLU 89 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1qo6 h GLU 89 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1qo6 h GLU 89 CO 0.00 0.00 -1.10 0.00 -1.00 0.00 0.00 179.01 176.91 1qo6 n GLN 90 N -2.96 0.42 -0.03 2.33 10.64 -1.12 -4.79 117.38 121.86 1qo6 n GLN 90 Ca 0.00 0.01 -0.13 0.00 -1.83 0.00 0.00 57.00 55.05 1qo6 n GLN 90 Cb 0.25 -1.03 -0.11 0.00 -0.86 0.00 0.00 30.24 28.48 1qo6 n GLN 90 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1qo6 h ASP 91 N 0.00 -0.01 0.00 2.61 3.58 -0.84 -3.48 116.42 118.28 1qo6 h ASP 91 Ca -0.04 -0.68 0.00 0.00 0.42 0.00 0.00 57.03 56.73 1qo6 h ASP 91 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1qo6 h ASP 91 CO -0.01 0.68 0.00 1.67 -2.88 0.00 0.00 179.24 178.71 1qo6 n GLN 92 N -4.76 0.00 -2.72 0.28 -0.06 -0.34 -4.99 117.38 104.78 1qo6 n GLN 92 Ca -0.09 0.04 -0.42 0.00 -2.00 0.00 0.00 57.00 54.52 1qo6 n GLN 92 Cb 0.34 -2.80 -0.03 0.00 -4.06 0.00 0.00 30.24 23.69 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 -0.22 3.36 0.37 3.69 3.01 -1.26 -4.97 119.74 123.72 1qo6 s LYS 93 Ca 0.00 -0.12 0.04 0.00 -1.01 0.00 0.00 55.97 54.88 1qo6 s LYS 93 Cb 0.00 -4.07 -0.06 0.00 -1.01 0.00 0.00 37.83 32.69 1qo6 s LYS 93 CO 0.00 -1.65 0.05 1.52 0.51 0.00 0.00 175.35 175.78 1qo6 s TYR 94 N 4.50 2.09 -0.00 3.18 1.13 -1.26 -1.62 117.35 125.37 1qo6 s TYR 94 Ca 0.35 -0.91 0.01 0.00 -1.41 0.00 0.00 57.07 55.10 1qo6 s TYR 94 Cb -0.11 -1.42 0.00 0.00 -1.10 0.00 0.00 41.96 39.33 1qo6 s TYR 94 CO 0.20 0.11 -0.02 -1.54 -2.51 0.00 0.00 175.55 171.80 1qo6 s SER 95 N -3.58 0.21 1.17 -0.18 1.04 0.08 -0.85 113.70 111.59 1qo6 s SER 95 Ca 0.33 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 1qo6 s SER 95 Cb 0.08 -0.03 0.24 0.00 0.10 0.00 0.00 66.02 66.41 1qo6 s SER 95 CO 0.15 0.01 0.95 0.49 0.98 0.00 0.00 173.24 175.82 1qo6 n PHE 96 N 3.12 -3.79 -2.73 5.02 3.72 -1.26 0.22 117.46 121.76 1qo6 n PHE 96 Ca -0.13 -0.86 -0.09 0.00 -0.05 0.00 0.00 57.45 56.32 1qo6 n PHE 96 Cb 0.59 -0.94 0.09 0.00 -0.94 0.00 0.00 39.48 38.27 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 n THR 98 N 0.56 -0.09 0.00 0.00 5.66 -1.26 -4.50 114.28 114.65 1qo6 n THR 98 Ca 0.06 1.08 0.00 0.00 -3.05 0.00 0.00 64.05 62.14 1qo6 n THR 98 Cb 0.69 -1.78 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 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 -3.63 0.00 -0.68 1.09 -0.08 -1.26 -4.89 116.55 107.10 1qo6 n ASP 99 Ca 0.28 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.62 1qo6 n ASP 99 Cb 1.17 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.61 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1qo6 n HIS 100 N 0.00 -2.38 1.68 -0.67 -0.00 -1.26 -4.86 115.22 107.73 1qo6 n HIS 100 Ca 0.00 0.60 0.13 0.00 -0.00 0.00 0.00 57.72 58.46 1qo6 n HIS 100 Cb 0.00 -1.06 0.80 0.00 -0.00 0.00 0.00 29.99 29.73 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97