#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 -1.52 2.82 2.98 0.00 -1.26 -5.14 105.19 103.08 1qo6 n GLY 2 Ca 0.00 0.32 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1qo6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qo6 n HIS 3 N -3.00 -4.29 -4.11 1.61 8.25 -1.26 -4.48 115.22 107.93 1qo6 n HIS 3 Ca 0.00 0.08 -0.36 0.00 -0.26 0.00 0.00 57.72 57.18 1qo6 n HIS 3 Cb 0.00 -1.37 -0.08 0.00 1.12 0.00 0.00 29.99 29.65 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 s VAL 5 N -0.64 0.79 0.35 0.00 -7.23 -1.26 0.28 120.40 112.69 1qo6 s VAL 5 Ca 0.11 -0.18 0.23 0.00 -1.81 0.00 0.00 61.98 60.33 1qo6 s VAL 5 Cb -0.12 -0.83 0.36 0.00 0.56 0.00 0.00 36.38 36.36 1qo6 s VAL 5 CO 0.02 0.31 1.36 0.35 -0.31 0.00 0.00 175.10 176.84 1qo6 n THR 6 N 4.67 -0.30 0.00 5.32 -2.24 -1.25 -4.52 114.28 115.96 1qo6 n THR 6 Ca -0.15 1.67 0.00 0.00 -2.27 0.00 0.00 64.05 63.30 1qo6 n THR 6 Cb 0.50 -2.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.01 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 7 N -4.72 0.00 0.00 3.42 -0.08 -1.26 -5.02 116.55 108.88 1qo6 n ASP 7 Ca 0.34 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1qo6 n ASP 7 Cb 1.23 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.70 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1qo6 n SER 8 N -0.96 0.00 0.18 1.67 2.88 -1.26 -5.05 113.62 111.07 1qo6 n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qo6 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qo6 n GLY 9 N 0.00 -1.55 3.84 0.46 0.00 -1.26 -5.13 105.19 101.55 1qo6 n GLY 9 Ca 0.00 0.33 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 4.75 -0.57 1.61 1.01 -1.26 -5.04 120.40 118.91 1qo6 s VAL 10 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1qo6 s VAL 10 Cb 0.00 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.81 1qo6 s VAL 10 CO 0.00 0.06 0.33 -0.69 0.00 0.00 0.00 175.10 174.80 1qo6 s VAL 11 N -1.69 2.98 0.03 2.92 1.01 -1.26 -3.95 120.40 120.44 1qo6 s VAL 11 Ca 0.45 -3.26 -0.00 0.00 0.00 0.00 0.00 61.98 59.17 1qo6 s VAL 11 Cb -0.13 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1qo6 s VAL 11 CO 0.20 -0.84 0.04 -1.22 0.00 0.00 0.00 175.10 173.28 1qo6 n TYR 12 N 3.16 -3.61 -4.05 5.22 4.01 0.79 -4.88 117.16 117.79 1qo6 n TYR 12 Ca 0.07 -0.05 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1qo6 n TYR 12 Cb 0.34 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.23 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qo6 s SER 13 N -1.15 0.72 -0.75 7.72 0.01 -1.26 -1.69 113.70 117.30 1qo6 s SER 13 Ca 0.02 -0.61 -0.15 0.00 1.31 0.00 0.00 55.95 56.53 1qo6 s SER 13 Cb -0.00 0.07 -0.20 0.00 0.21 0.00 0.00 66.02 66.10 1qo6 s SER 13 CO 0.02 -0.27 1.99 0.55 0.41 0.00 0.00 173.24 175.93 1qo6 n VAL 14 N 1.27 0.00 0.00 3.43 3.14 -1.26 0.15 118.33 125.07 1qo6 n VAL 14 Ca -0.22 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 1qo6 n VAL 14 Cb 0.56 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 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 5.78 1.15 2.32 7.55 0.00 -0.77 -5.01 105.19 116.22 1qo6 n GLY 15 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.21 2.24 -0.66 1.61 0.00 0.41 -4.96 117.12 115.55 1qo6 n MET 16 Ca 0.00 -2.01 -0.21 0.00 0.00 0.00 0.00 57.70 55.48 1qo6 n MET 16 Cb 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 33.22 31.19 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 1.05 0.00 -2.88 2.12 6.02 -1.26 -4.68 117.38 117.76 1qo6 n GLN 17 Ca 0.45 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.37 1qo6 n GLN 17 Cb 0.61 -0.54 -0.00 0.00 1.02 0.00 0.00 30.24 31.33 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 -0.89 -1.46 -4.14 1.08 2.14 0.11 -4.99 117.44 109.29 1qo6 n TRP 18 Ca 0.04 -1.30 -0.15 0.00 2.07 0.00 0.00 57.50 58.16 1qo6 n TRP 18 Cb 0.26 0.46 -0.13 0.00 -0.81 0.00 0.00 31.31 31.09 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 2.14 0.36 5.67 2.96 -1.26 -0.88 118.68 127.67 1qo6 s LEU 19 Ca 0.14 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 1qo6 s LEU 19 Cb -0.02 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 1qo6 s LEU 19 CO 0.10 -0.06 0.22 -1.59 -1.32 0.00 0.00 176.35 173.70 1qo6 s LYS 20 N -0.89 1.82 0.34 1.98 -2.85 0.56 -4.81 119.74 115.89 1qo6 s LYS 20 Ca -0.03 -2.08 0.03 0.00 -1.00 0.00 0.00 55.97 52.88 1qo6 s LYS 20 Cb -0.06 -0.04 -0.02 0.00 -2.06 0.00 0.00 37.83 35.65 1qo6 s LYS 20 CO 0.00 -0.59 0.37 -0.08 0.10 0.00 0.00 175.35 175.15 1qo6 s THR 21 N -3.36 0.00 -0.19 3.79 -1.32 -1.26 0.22 115.64 113.51 1qo6 s THR 21 Ca 0.34 -1.82 0.12 0.00 -1.21 0.00 0.00 61.69 59.12 1qo6 s THR 21 Cb 0.02 -2.57 0.41 0.00 -1.51 0.00 0.00 72.50 68.85 1qo6 s THR 21 CO 0.22 0.00 1.21 0.00 -2.21 0.00 0.00 174.62 173.84 1qo6 n GLN 22 N -0.59 1.48 -1.92 7.08 1.13 -1.25 -4.86 117.38 118.45 1qo6 n GLN 22 Ca 0.04 -3.18 -0.10 0.00 -1.94 0.00 0.00 57.00 51.82 1qo6 n GLN 22 Cb 0.62 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 29.43 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 0.33 0.00 1.08 0.00 -1.26 -4.55 105.19 99.72 1qo6 n GLY 23 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.14 0.00 0.00 1.61 4.05 -1.26 -5.14 115.26 114.65 1qo6 n ASN 24 Ca -0.12 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.91 1qo6 n ASN 24 Cb 0.51 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.52 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1qo6 n LYS 25 N -0.46 3.39 -4.14 1.20 2.85 -1.26 -5.18 118.16 114.56 1qo6 n LYS 25 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1qo6 n LYS 25 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 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 3.34 1.69 -0.30 -1.58 1.11 -1.26 -3.80 119.66 118.86 1qo6 s GLN 26 Ca 0.00 -1.71 -0.17 0.00 0.01 0.00 0.00 55.36 53.49 1qo6 s GLN 26 Cb 0.00 0.39 0.18 0.00 -1.01 0.00 0.00 33.01 32.57 1qo6 s GLN 26 CO 0.00 -0.66 1.19 1.41 0.01 0.00 0.00 175.29 177.24 1qo6 s MET 27 N -3.50 0.09 -0.32 2.91 1.75 0.58 -0.71 119.30 120.11 1qo6 s MET 27 Ca 0.33 0.19 -0.26 0.00 -1.25 0.00 0.00 55.69 54.70 1qo6 s MET 27 Cb 0.02 0.11 0.01 0.00 2.84 0.00 0.00 34.83 37.81 1qo6 s MET 27 CO 0.18 -0.07 0.93 -1.17 -0.65 0.00 0.00 175.02 174.24 1qo6 s LEU 28 N 2.59 4.02 -0.10 4.11 0.20 -0.82 0.21 118.68 128.88 1qo6 s LEU 28 Ca -0.04 0.82 -0.04 0.00 0.69 0.00 0.00 54.13 55.56 1qo6 s LEU 28 Cb -0.06 -3.30 -0.04 0.00 -0.43 0.00 0.00 46.19 42.37 1qo6 s LEU 28 CO -0.12 -0.76 0.04 0.00 -0.29 0.00 0.00 176.35 175.23 1qo6 s THR 30 N -0.87 0.15 -0.29 0.00 2.01 -0.44 0.08 115.64 116.28 1qo6 s THR 30 Ca 0.13 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.94 1qo6 s THR 30 Cb -0.12 -0.73 0.06 0.00 0.01 0.00 0.00 72.50 71.73 1qo6 s THR 30 CO 0.03 -0.66 -0.03 0.00 -0.69 0.00 0.00 174.62 173.26 1qo6 n LEU 32 N 4.50 1.04 0.00 0.00 -0.00 -0.90 -1.84 117.00 119.81 1qo6 n LEU 32 Ca -0.11 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 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 0.24 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 1qo6 n GLY 33 N 2.68 0.06 0.14 1.47 0.00 -1.26 -4.41 105.19 103.87 1qo6 n GLY 33 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.50 115.58 110.62 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 0.06 0.00 0.61 0.07 0.00 0.00 177.43 178.17 1qo6 n GLY 35 N 1.18 1.59 2.87 9.14 0.00 -1.26 -5.14 105.19 113.56 1qo6 n GLY 35 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.66 0.92 -0.17 1.61 1.01 -1.26 -2.11 120.40 119.74 1qo6 s VAL 36 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1qo6 s VAL 36 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1qo6 s VAL 36 CO 0.00 0.22 -0.04 -0.55 0.00 0.00 0.00 175.10 174.73 1qo6 s SER 37 N 1.73 4.62 0.52 3.32 0.15 0.15 -4.85 113.70 119.35 1qo6 s SER 37 Ca 0.03 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.49 1qo6 s SER 37 Cb -0.14 -1.76 0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1qo6 s SER 37 CO -0.08 0.11 0.16 0.00 1.20 0.00 0.00 173.24 174.64 1qo6 s GLN 39 N -4.04 1.98 -0.57 0.00 -1.52 0.33 -4.92 119.66 110.92 1qo6 s GLN 39 Ca 0.18 -0.73 -0.28 0.00 -1.95 0.00 0.00 55.36 52.58 1qo6 s GLN 39 Cb 0.00 -2.28 -0.10 0.00 -0.22 0.00 0.00 33.01 30.41 1qo6 s GLN 39 CO 0.11 -0.39 2.45 -0.85 -0.25 0.00 0.00 175.29 176.35 1qo6 n GLU 40 N 4.73 0.88 0.00 2.91 0.28 -1.26 -1.95 120.64 126.23 1qo6 n GLU 40 Ca -0.15 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1qo6 n GLU 40 Cb 0.47 -2.95 0.00 0.00 1.43 0.00 0.00 31.44 30.40 1qo6 n GLU 40 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1qo6 n THR 41 N 7.82 0.00 -1.43 3.84 -1.04 0.11 -4.61 114.28 118.97 1qo6 n THR 41 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1qo6 n THR 41 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 -2.87 -3.00 2.41 0.00 -1.21 -4.26 120.51 111.58 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 0.03 0.00 -3.75 0.00 0.24 -1.26 -4.83 118.33 108.76 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 0.28 -2.14 0.00 0.00 176.83 174.97 1qo6 s THR 44 N -0.82 0.00 -0.09 3.34 -1.32 -1.26 -4.78 115.64 110.71 1qo6 s THR 44 Ca 0.00 -0.36 -0.05 0.00 -1.21 0.00 0.00 61.69 60.07 1qo6 s THR 44 Cb 0.00 -2.30 -0.26 0.00 -1.51 0.00 0.00 72.50 68.42 1qo6 s THR 44 CO 0.00 0.00 0.47 1.56 -2.21 0.00 0.00 174.62 174.44 1qo6 h GLN 45 N 2.00 0.25 -3.99 7.08 1.08 -1.92 -3.51 115.11 116.10 1qo6 h GLN 45 Ca -0.27 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.50 1qo6 h GLN 45 Cb 1.21 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1qo6 h GLN 45 CO 0.29 1.13 -0.87 0.25 -0.95 0.00 0.00 178.83 178.69 1qo6 n THR 46 N -3.44 -5.11 -3.70 -0.54 -2.24 -1.26 -4.98 114.28 93.02 1qo6 n THR 46 Ca -0.28 2.36 -0.11 0.00 -2.27 0.00 0.00 64.05 63.75 1qo6 n THR 46 Cb 1.05 -3.12 -0.11 0.00 -2.10 0.00 0.00 70.33 66.05 1qo6 n THR 46 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1qo6 s TYR 47 N -2.53 -0.57 0.00 4.78 -0.85 -1.22 -4.80 117.35 112.17 1qo6 s TYR 47 Ca 0.00 1.23 0.00 0.00 -0.52 0.00 0.00 57.07 57.78 1qo6 s TYR 47 Cb 0.00 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.58 1qo6 s TYR 47 CO 0.00 -0.32 0.00 0.41 -1.52 0.00 0.00 175.55 174.12 1qo6 n GLY 48 N 4.13 3.81 5.70 5.49 0.00 0.27 -3.62 105.19 120.97 1qo6 n GLY 48 Ca -0.23 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.66 0.17 -0.02 0.00 -1.26 -0.66 105.19 101.77 1qo6 n GLY 49 Ca 0.00 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1qo6 n GLY 49 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1qo6 h ASN 50 N 0.00 0.00 0.00 1.61 -1.24 -0.80 -3.38 115.58 111.77 1qo6 h ASN 50 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1qo6 h ASN 50 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1qo6 h ASN 50 CO 0.00 0.00 0.00 -0.24 -1.29 0.00 0.00 177.43 175.90 1qo6 n SER 51 N -2.45 0.00 0.00 1.15 2.88 -1.00 -4.78 113.62 109.42 1qo6 n SER 51 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1qo6 n SER 51 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.14 0.00 0.00 -3.46 5.15 0.17 -4.94 115.26 111.04 1qo6 n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1qo6 n ASN 52 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.00 -0.20 4.00 8.20 0.00 -1.13 0.96 105.19 117.02 1qo6 n GLY 53 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 1qo6 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qo6 s GLU 54 N 0.00 2.75 -0.33 1.61 0.41 -1.26 -4.91 118.70 116.97 1qo6 s GLU 54 Ca 0.00 -1.31 -0.29 0.00 -0.41 0.00 0.00 54.97 52.96 1qo6 s GLU 54 Cb 0.00 -2.72 -0.07 0.00 -1.78 0.00 0.00 34.13 29.57 1qo6 s GLU 54 CO 0.00 -0.33 2.28 -2.30 -0.49 0.00 0.00 175.26 174.42 1qo6 n PRO 55 N -1.87 1.55 -0.89 0.39 -0.02 -1.26 -4.92 135.00 127.98 1qo6 n PRO 55 Ca 0.08 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1qo6 n PRO 55 Cb 0.60 -3.15 0.09 0.00 -0.02 0.00 0.00 33.50 31.02 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 -3.18 2.55 -4.47 0.00 3.14 0.69 -4.90 118.33 112.16 1qo6 n VAL 57 Ca 0.05 -5.24 -0.23 0.00 -2.96 0.00 0.00 64.34 55.95 1qo6 n VAL 57 Cb 0.54 -2.12 -0.09 0.00 -1.06 0.00 0.00 33.84 31.11 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 -2.37 2.03 0.08 6.55 1.02 -1.26 -4.02 118.68 120.72 1qo6 s LEU 58 Ca 0.37 -1.52 -0.31 0.00 0.02 0.00 0.00 54.13 52.69 1qo6 s LEU 58 Cb 0.11 -0.22 -0.08 0.00 0.02 0.00 0.00 46.19 46.03 1qo6 s LEU 58 CO -0.02 -0.77 1.52 -2.16 0.02 0.00 0.00 176.35 174.93 1qo6 s PRO 59 N -3.82 4.25 0.23 1.29 0.04 -1.26 -5.02 135.00 130.70 1qo6 s PRO 59 Ca 0.30 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.57 1qo6 s PRO 59 Cb 0.06 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1qo6 s PRO 59 CO 0.15 -0.61 0.21 1.97 0.04 0.00 0.00 177.00 178.76 1qo6 n PHE 60 N 4.85 -1.50 -4.04 0.56 1.16 -0.85 -4.88 117.46 112.76 1qo6 n PHE 60 Ca 0.14 -0.94 -0.28 0.00 -1.87 0.00 0.00 57.45 54.50 1qo6 n PHE 60 Cb 0.41 -0.19 -0.17 0.00 -1.61 0.00 0.00 39.48 37.92 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 -0.97 1.25 -0.01 1.97 2.01 -1.26 -2.11 115.64 116.52 1qo6 s THR 61 Ca 0.16 -0.44 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 1qo6 s THR 61 Cb -0.01 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1qo6 s THR 61 CO 0.10 0.40 0.02 -0.47 -0.69 0.00 0.00 174.62 173.98 1qo6 s TYR 62 N 1.50 0.00 0.00 4.92 5.04 -0.77 -4.79 117.35 123.26 1qo6 s TYR 62 Ca 0.03 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1qo6 s TYR 62 Cb -0.13 -0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.10 1qo6 s TYR 62 CO -0.08 -0.03 0.00 -1.71 -1.34 0.00 0.00 175.55 172.39 1qo6 n ASN 63 N 3.45 -3.95 0.00 4.32 2.85 -1.26 -1.73 115.26 118.93 1qo6 n ASN 63 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1qo6 n ASN 63 Cb 0.57 -2.25 0.00 0.00 1.24 0.00 0.00 39.78 39.34 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 -0.76 0.42 0.00 8.20 0.00 -1.26 -5.06 105.19 106.73 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 -1.77 2.10 -4.02 1.61 0.00 -0.71 -5.10 116.66 108.77 1qo6 n ARG 65 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1qo6 n ARG 65 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 32.33 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 1.06 0.26 -0.04 8.89 2.01 -1.26 -1.84 115.64 124.73 1qo6 s THR 66 Ca 0.00 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1qo6 s THR 66 Cb 0.00 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.24 1qo6 s THR 66 CO 0.00 -0.14 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.39 1qo6 s PHE 67 N -0.61 0.66 -0.35 4.92 0.40 -0.90 -4.98 117.98 117.12 1qo6 s PHE 67 Ca -0.05 -0.16 0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1qo6 s PHE 67 Cb -0.05 -0.59 0.72 0.00 0.51 0.00 0.00 43.02 43.61 1qo6 s PHE 67 CO -0.00 -0.16 1.78 0.66 0.70 0.00 0.00 175.22 178.20 1qo6 n TYR 68 N 3.95 2.45 -3.12 0.36 4.02 -1.26 -2.00 117.16 121.56 1qo6 n TYR 68 Ca -0.25 -1.21 0.00 0.00 -0.01 0.00 0.00 57.90 56.43 1qo6 n TYR 68 Cb 0.51 -0.70 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1qo6 n SER 69 N -0.19 0.00 -4.60 7.72 2.88 -1.26 -4.63 113.62 113.54 1qo6 n SER 69 Ca 0.41 -0.16 -0.30 0.00 -1.33 0.00 0.00 58.87 57.49 1qo6 n SER 69 Cb 1.38 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 65.04 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qo6 s THR 71 N -2.58 0.00 -0.70 0.00 -1.32 0.34 -4.83 115.64 106.56 1qo6 s THR 71 Ca 0.67 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.20 1qo6 s THR 71 Cb -0.24 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.02 1qo6 s THR 71 CO 0.61 0.00 0.88 0.35 -2.21 0.00 0.00 174.62 174.25 1qo6 n THR 72 N 0.58 2.90 -0.21 5.08 -2.24 -1.26 -1.96 114.28 117.17 1qo6 n THR 72 Ca -0.09 -5.37 0.00 0.00 -2.27 0.00 0.00 64.05 56.32 1qo6 n THR 72 Cb 0.58 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 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 0.76 2.11 0.00 -0.78 -0.58 -1.26 -4.67 120.64 116.21 1qo6 n GLU 73 Ca 0.30 -1.22 0.00 0.00 -0.42 0.00 0.00 57.16 55.82 1qo6 n GLU 73 Cb 0.40 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 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 -0.36 -0.32 3.48 0.62 0.00 -1.26 -5.03 105.19 102.31 1qo6 n GLY 74 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.23 1.91 0.00 1.61 3.03 -1.26 -5.06 118.95 118.95 1qo6 s ARG 75 Ca 0.00 -2.16 0.00 0.00 2.03 0.00 0.00 55.73 55.60 1qo6 s ARG 75 Cb 0.00 -0.44 0.01 0.00 -1.03 0.00 0.00 34.95 33.49 1qo6 s ARG 75 CO 0.00 -0.52 0.64 1.04 -1.13 0.00 0.00 175.30 175.33 1qo6 n GLN 76 N -0.87 0.04 -0.09 3.89 6.02 -1.26 -4.75 117.38 120.36 1qo6 n GLN 76 Ca -0.04 -0.77 -0.12 0.00 -0.01 0.00 0.00 57.00 56.05 1qo6 n GLN 76 Cb 0.64 -1.01 -0.06 0.00 1.02 0.00 0.00 30.24 30.84 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1qo6 n ASP 77 N -0.09 1.84 0.00 1.08 5.68 -1.26 -5.04 116.55 118.77 1qo6 n ASP 77 Ca 0.00 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1qo6 n ASP 77 Cb 0.07 -0.89 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qo6 n GLY 78 N 1.52 1.55 3.60 6.12 0.00 -1.26 -5.12 105.19 111.60 1qo6 n GLY 78 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.55 3.24 0.47 1.61 3.76 -1.26 -4.98 115.29 116.58 1qo6 s HIS 79 Ca 0.00 0.42 -0.24 0.00 -0.15 0.00 0.00 55.06 55.09 1qo6 s HIS 79 Cb 0.00 -2.63 -0.08 0.00 1.11 0.00 0.00 32.58 30.98 1qo6 s HIS 79 CO 0.00 -0.27 1.29 1.28 -0.85 0.00 0.00 174.74 176.19 1qo6 n LEU 80 N 5.40 4.53 -4.02 0.89 4.32 -1.26 -4.63 117.00 122.24 1qo6 n LEU 80 Ca -0.07 1.05 -0.09 0.00 -0.02 0.00 0.00 56.01 56.87 1qo6 n LEU 80 Cb 0.50 -1.53 -0.06 0.00 -1.62 0.00 0.00 43.42 40.72 1qo6 n LEU 80 CO 0.38 -0.66 0.12 -1.66 -1.22 0.00 0.00 177.39 174.35 1qo6 s TRP 81 N -1.25 0.45 0.21 -1.77 1.48 -0.83 -0.16 118.94 117.08 1qo6 s TRP 81 Ca 0.65 -0.80 -0.07 0.00 -1.06 0.00 0.00 56.10 54.82 1qo6 s TRP 81 Cb -0.47 0.09 -0.02 0.00 -1.16 0.00 0.00 33.47 31.91 1qo6 s TRP 81 CO 0.55 -0.94 0.30 0.00 -4.06 0.00 0.00 176.95 172.80 1qo6 s SER 83 N -3.07 6.44 -0.06 0.00 0.15 -1.26 0.36 113.70 116.26 1qo6 s SER 83 Ca 0.28 0.48 0.21 0.00 0.70 0.00 0.00 55.95 57.62 1qo6 s SER 83 Cb 0.03 -2.06 -0.30 0.00 -1.71 0.00 0.00 66.02 61.98 1qo6 s SER 83 CO 0.08 0.28 0.41 0.35 1.20 0.00 0.00 173.24 175.57 1qo6 n THR 84 N 1.22 0.37 -4.63 6.45 -2.24 0.13 0.25 114.28 115.83 1qo6 n THR 84 Ca -0.13 -0.59 -0.24 0.00 -2.27 0.00 0.00 64.05 60.82 1qo6 n THR 84 Cb 0.53 -0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.26 1.15 0.27 4.28 2.01 -1.25 -4.41 115.64 114.43 1qo6 s THR 85 Ca -0.08 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 1qo6 s THR 85 Cb 0.12 -1.02 0.37 0.00 0.01 0.00 0.00 72.50 71.98 1qo6 s THR 85 CO 0.89 0.35 1.59 -1.28 -0.69 0.00 0.00 174.62 175.48 1qo6 h SER 86 N 6.59 -0.60 -1.48 3.53 0.87 -1.91 -2.53 113.55 118.02 1qo6 h SER 86 Ca -0.32 0.25 -0.74 0.00 -1.23 0.00 0.00 61.79 59.75 1qo6 h SER 86 Cb 1.18 0.48 -0.15 0.00 -0.44 0.00 0.00 62.40 63.47 1qo6 h SER 86 CO 0.48 -0.28 1.92 -3.20 -0.53 0.00 0.00 176.83 175.22 1qo6 n ASN 87 N -5.49 5.01 0.22 6.23 5.15 -1.26 -4.71 115.26 120.41 1qo6 n ASN 87 Ca 0.17 -3.03 0.10 0.00 -0.60 0.00 0.00 54.58 51.21 1qo6 n ASN 87 Cb 0.55 -1.54 0.40 0.00 -0.53 0.00 0.00 39.78 38.66 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1qo6 h TYR 88 N 6.33 0.00 0.00 1.20 5.03 -1.83 0.12 116.97 127.82 1qo6 h TYR 88 Ca 0.39 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.69 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 1.23 0.23 -0.04 0.93 -1.32 0.00 0.00 178.16 179.19 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.89 -0.55 114.58 119.04 1qo6 h GLU 89 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1qo6 h GLU 89 Cb 0.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1qo6 h GLU 89 CO 0.03 0.04 -1.32 0.00 -1.00 0.00 0.00 179.01 176.76 1qo6 n GLN 90 N -3.38 1.73 0.05 2.33 -0.00 -1.09 -4.78 117.38 112.24 1qo6 n GLN 90 Ca -0.02 0.02 -0.10 0.00 -0.00 0.00 0.00 57.00 56.90 1qo6 n GLN 90 Cb 0.18 -1.12 -0.07 0.00 -0.00 0.00 0.00 30.24 29.23 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1qo6 h ASP 91 N 0.00 -0.19 -0.02 2.61 5.19 -0.76 -3.47 116.42 119.77 1qo6 h ASP 91 Ca -0.13 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1qo6 h ASP 91 Cb 1.24 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 1qo6 h ASP 91 CO -0.01 0.37 -0.01 1.67 -3.12 0.00 0.00 179.24 178.14 1qo6 n GLN 92 N -4.92 -0.28 -2.91 3.56 7.27 -0.22 -4.97 117.38 114.91 1qo6 n GLN 92 Ca -0.07 0.16 -0.43 0.00 0.07 0.00 0.00 57.00 56.73 1qo6 n GLN 92 Cb 0.25 -3.45 -0.03 0.00 2.41 0.00 0.00 30.24 29.41 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1qo6 s LYS 93 N -0.62 3.26 0.30 3.69 3.01 -1.26 -4.91 119.74 123.20 1qo6 s LYS 93 Ca 0.00 -1.19 0.11 0.00 -1.01 0.00 0.00 55.97 53.88 1qo6 s LYS 93 Cb 0.00 -4.46 -0.05 0.00 -1.01 0.00 0.00 37.83 32.31 1qo6 s LYS 93 CO 0.00 -1.77 -0.17 1.52 0.51 0.00 0.00 175.35 175.44 1qo6 s TYR 94 N 3.47 2.30 0.16 3.18 -0.85 -1.26 -0.70 117.35 123.66 1qo6 s TYR 94 Ca 0.24 -0.39 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 1qo6 s TYR 94 Cb -0.14 -1.10 -0.04 0.00 0.38 0.00 0.00 41.96 41.06 1qo6 s TYR 94 CO 0.03 0.67 -0.15 -1.54 -1.52 0.00 0.00 175.55 173.04 1qo6 s SER 95 N -3.53 2.33 0.79 -0.18 1.04 0.16 -0.03 113.70 114.29 1qo6 s SER 95 Ca 0.30 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.78 1qo6 s SER 95 Cb -0.03 -0.11 0.07 0.00 0.10 0.00 0.00 66.02 66.05 1qo6 s SER 95 CO 0.15 -0.15 0.41 0.49 0.98 0.00 0.00 173.24 175.12 1qo6 n PHE 96 N 0.06 -3.68 -3.69 5.02 3.72 -1.24 0.18 117.46 117.83 1qo6 n PHE 96 Ca -0.12 -0.49 -0.14 0.00 -0.05 0.00 0.00 57.45 56.66 1qo6 n PHE 96 Cb 0.59 -0.31 -0.09 0.00 -0.94 0.00 0.00 39.48 38.73 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 2.13 0.53 0.00 0.00 5.66 -1.26 -4.30 114.28 117.04 1qo6 n THR 98 Ca -0.16 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1qo6 n THR 98 Cb 0.57 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 1qo6 n THR 98 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1qo6 n ASP 99 N 0.95 0.00 -4.39 1.09 8.00 -1.26 -4.81 116.55 116.14 1qo6 n ASP 99 Ca 0.18 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 1qo6 n ASP 99 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1qo6 n ASP 99 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1qo6 s HIS 100 N 0.00 1.93 -2.00 1.24 3.76 -1.26 -4.98 115.29 113.98 1qo6 s HIS 100 Ca 0.00 -1.05 0.04 0.00 -0.15 0.00 0.00 55.06 53.90 1qo6 s HIS 100 Cb 0.00 -1.31 0.22 0.00 1.11 0.00 0.00 32.58 32.60 1qo6 s HIS 100 CO 0.00 -0.04 0.69 0.25 -0.85 0.00 0.00 174.74 174.79