#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 -0.30 3.30 2.98 0.00 -1.26 -5.00 105.19 104.90 1qo6 n GLY 2 Ca 0.00 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.21 -2.42 -4.21 1.61 8.25 -1.26 -2.56 115.22 114.42 1qo6 n HIS 3 Ca 0.00 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.65 1qo6 n HIS 3 Cb 0.00 -1.74 -0.10 0.00 1.12 0.00 0.00 29.99 29.27 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 -3.66 0.00 0.06 0.00 0.11 -1.26 0.26 120.40 115.91 1qo6 s VAL 5 Ca 0.20 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.00 1qo6 s VAL 5 Cb 0.06 -1.00 -0.17 0.00 -1.53 0.00 0.00 36.38 33.74 1qo6 s VAL 5 CO 0.01 0.00 1.59 0.71 -3.33 0.00 0.00 175.10 174.08 1qo6 h THR 6 N 2.09 1.00 0.00 5.04 1.35 -1.98 -3.47 112.91 116.95 1qo6 h THR 6 Ca -0.09 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1qo6 h THR 6 Cb 1.19 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1qo6 h THR 6 CO 0.21 0.07 0.00 0.47 -0.25 0.00 0.00 175.52 176.02 1qo6 n ASP 7 N -5.08 0.00 0.00 5.36 8.00 -1.26 -5.02 116.55 118.55 1qo6 n ASP 7 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1qo6 n ASP 7 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qo6 n SER 8 N -0.34 0.00 0.11 -2.24 2.88 -1.26 -5.05 113.62 107.72 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 -1.03 2.97 0.46 0.00 -1.26 -5.05 105.19 101.28 1qo6 n GLY 9 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 2.74 -1.11 1.61 1.01 -1.26 -5.02 120.40 116.37 1qo6 s VAL 10 Ca 0.00 -3.24 -0.23 0.00 0.00 0.00 0.00 61.98 58.51 1qo6 s VAL 10 Cb 0.00 -2.89 -0.12 0.00 0.00 0.00 0.00 36.38 33.38 1qo6 s VAL 10 CO 0.00 -0.80 1.94 0.52 0.00 0.00 0.00 175.10 176.76 1qo6 n VAL 11 N 3.20 1.70 -0.76 2.92 0.31 -1.26 -3.66 118.33 120.77 1qo6 n VAL 11 Ca 0.05 -1.73 -0.28 0.00 -0.01 0.00 0.00 64.34 62.37 1qo6 n VAL 11 Cb 0.33 -2.17 0.23 0.00 -0.91 0.00 0.00 33.84 31.33 1qo6 n VAL 11 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1qo6 s TYR 12 N 10.93 1.52 -0.01 3.52 2.02 0.73 -4.80 117.35 131.26 1qo6 s TYR 12 Ca 0.68 1.05 0.03 0.00 -0.37 0.00 0.00 57.07 58.47 1qo6 s TYR 12 Cb 0.01 -3.15 -0.00 0.00 -0.40 0.00 0.00 41.96 38.41 1qo6 s TYR 12 CO 0.14 -3.65 -0.10 -1.12 -1.57 0.00 0.00 175.55 169.26 1qo6 s SER 13 N -2.87 1.23 -0.48 2.29 0.01 -1.26 0.01 113.70 112.62 1qo6 s SER 13 Ca 0.68 -0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.70 1qo6 s SER 13 Cb -0.22 -0.20 -0.16 0.00 0.21 0.00 0.00 66.02 65.64 1qo6 s SER 13 CO 0.62 0.11 1.14 0.55 0.41 0.00 0.00 173.24 176.07 1qo6 n VAL 14 N 2.97 0.00 0.00 3.43 3.14 -1.06 0.89 118.33 127.70 1qo6 n VAL 14 Ca -0.15 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 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 3.10 1.95 2.75 7.55 0.00 -1.13 -5.02 105.19 114.39 1qo6 n GLY 15 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.40 3.99 -1.13 1.61 0.00 0.26 -5.04 117.12 116.40 1qo6 n MET 16 Ca 0.00 -4.46 -0.42 0.00 -0.00 0.00 0.00 57.70 52.82 1qo6 n MET 16 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 33.22 30.84 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 -0.28 0.00 -2.92 2.12 6.02 -1.26 -4.78 117.38 116.29 1qo6 n GLN 17 Ca 0.43 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.34 1qo6 n GLN 17 Cb 0.35 -0.99 -0.03 0.00 1.02 0.00 0.00 30.24 30.60 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 0.62 -0.71 -3.80 1.08 2.14 -0.42 -5.03 117.44 111.32 1qo6 n TRP 18 Ca 0.15 -1.27 -0.13 0.00 2.07 0.00 0.00 57.50 58.32 1qo6 n TRP 18 Cb 0.12 0.22 -0.12 0.00 -0.81 0.00 0.00 31.31 30.72 1qo6 n TRP 18 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1qo6 s LEU 19 N 0.00 1.26 -0.09 5.67 2.96 -1.26 -1.82 118.68 125.40 1qo6 s LEU 19 Ca 0.17 0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 54.45 1qo6 s LEU 19 Cb 0.00 0.63 -0.03 0.00 0.50 0.00 0.00 46.19 47.29 1qo6 s LEU 19 CO 0.12 -0.07 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.28 1qo6 s LYS 20 N 0.15 2.96 0.00 1.98 2.47 0.50 -4.88 119.74 122.92 1qo6 s LYS 20 Ca -0.00 -0.53 0.00 0.00 -1.56 0.00 0.00 55.97 53.88 1qo6 s LYS 20 Cb -0.02 -2.68 0.00 0.00 -1.46 0.00 0.00 37.83 33.68 1qo6 s LYS 20 CO -0.00 0.59 0.00 2.41 0.16 0.00 0.00 175.35 178.51 1qo6 n THR 21 N 2.46 0.00 0.70 3.43 -1.04 -1.26 0.32 114.28 118.90 1qo6 n THR 21 Ca -0.18 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 61.96 1qo6 n THR 21 Cb 0.53 -0.17 0.46 0.00 -1.82 0.00 0.00 70.33 69.33 1qo6 n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n GLN 22 N -1.21 0.19 0.25 -2.82 6.02 -1.26 -3.04 117.38 115.52 1qo6 n GLN 22 Ca 0.00 0.18 0.10 0.00 -0.01 0.00 0.00 57.00 57.26 1qo6 n GLN 22 Cb 0.11 -1.73 0.66 0.00 1.02 0.00 0.00 30.24 30.30 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1qo6 h GLY 23 N 4.49 0.00 0.00 1.08 0.00 -1.99 -3.45 103.07 103.21 1qo6 h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qo6 h GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1qo6 n ASN 24 N -4.01 0.00 0.13 0.19 3.02 -1.21 -5.08 115.26 108.31 1qo6 n ASN 24 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1qo6 n ASN 24 Cb 0.20 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qo6 n LYS 25 N -2.11 0.00 -3.63 3.52 4.01 -1.17 -5.08 118.16 113.70 1qo6 n LYS 25 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1qo6 n LYS 25 Cb 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.45 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 -1.77 0.80 -0.27 1.97 -1.52 -1.26 -4.67 119.66 112.94 1qo6 s GLN 26 Ca 0.00 1.07 -0.27 0.00 -1.95 0.00 0.00 55.36 54.20 1qo6 s GLN 26 Cb 0.00 0.33 0.17 0.00 -0.22 0.00 0.00 33.01 33.29 1qo6 s GLN 26 CO 0.00 -0.11 1.27 1.41 -0.25 0.00 0.00 175.29 177.61 1qo6 s MET 27 N 0.76 0.22 -0.15 2.91 -2.45 0.15 0.12 119.30 120.87 1qo6 s MET 27 Ca -0.03 0.15 -0.02 0.00 -1.25 0.00 0.00 55.69 54.54 1qo6 s MET 27 Cb -0.05 0.11 -0.02 0.00 1.25 0.00 0.00 34.83 36.12 1qo6 s MET 27 CO -0.05 -0.05 -0.09 -1.17 1.05 0.00 0.00 175.02 174.70 1qo6 s LEU 28 N -0.49 2.89 0.18 4.11 2.96 -0.97 0.19 118.68 127.55 1qo6 s LEU 28 Ca 0.06 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1qo6 s LEU 28 Cb -0.03 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1qo6 s LEU 28 CO -0.09 0.15 -0.15 0.00 -1.32 0.00 0.00 176.35 174.94 1qo6 s THR 30 N -2.59 0.02 -0.58 0.00 2.01 0.23 -1.30 115.64 113.45 1qo6 s THR 30 Ca 0.19 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1qo6 s THR 30 Cb -0.03 -0.79 0.14 0.00 0.01 0.00 0.00 72.50 71.84 1qo6 s THR 30 CO 0.06 -0.11 0.52 0.00 -0.69 0.00 0.00 174.62 174.41 1qo6 n LEU 32 N 4.98 0.00 0.13 0.00 -0.00 0.18 -2.85 117.00 119.43 1qo6 n LEU 32 Ca -0.09 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 55.98 1qo6 n LEU 32 Cb 0.41 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.86 1qo6 n LEU 32 CO 0.49 -0.08 0.28 1.23 -0.00 0.00 0.00 177.39 179.31 1qo6 h GLY 33 N -0.00 0.00 0.69 1.47 0.00 -1.96 -3.28 103.07 99.99 1qo6 h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qo6 h GLY 33 CO 0.00 0.00 -0.58 0.70 0.00 0.00 0.00 176.54 176.66 1qo6 n ASN 34 N -3.01 0.68 0.00 0.19 3.02 -1.26 -4.86 115.26 110.01 1qo6 n ASN 34 Ca -0.01 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 1qo6 n ASN 34 Cb 0.68 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 1qo6 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qo6 n GLY 35 N 1.48 -0.15 2.86 7.41 0.00 -1.24 -5.09 105.19 110.47 1qo6 n GLY 35 Ca 0.06 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.77 0.84 0.25 1.61 1.01 -1.26 0.49 120.40 120.57 1qo6 s VAL 36 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.88 1qo6 s VAL 36 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1qo6 s VAL 36 CO 0.00 0.31 -0.09 -0.55 0.00 0.00 0.00 175.10 174.78 1qo6 s SER 37 N 1.78 4.18 0.03 3.32 0.15 0.74 -4.93 113.70 118.98 1qo6 s SER 37 Ca 0.05 -0.74 -0.22 0.00 0.70 0.00 0.00 55.95 55.73 1qo6 s SER 37 Cb -0.13 -0.65 0.05 0.00 -1.71 0.00 0.00 66.02 63.58 1qo6 s SER 37 CO -0.07 0.04 0.51 0.00 1.20 0.00 0.00 173.24 174.92 1qo6 s GLN 39 N -2.27 2.81 0.31 0.00 -0.21 0.46 -4.93 119.66 115.83 1qo6 s GLN 39 Ca -0.06 -2.27 -0.29 0.00 0.02 0.00 0.00 55.36 52.76 1qo6 s GLN 39 Cb -0.01 -3.98 -0.10 0.00 1.00 0.00 0.00 33.01 29.92 1qo6 s GLN 39 CO -0.00 -1.21 1.41 -1.21 -2.12 0.00 0.00 175.29 172.16 1qo6 s GLU 40 N 0.45 4.25 0.00 2.91 2.02 -1.26 -2.28 118.70 124.79 1qo6 s GLU 40 Ca 0.14 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.48 1qo6 s GLU 40 Cb -0.19 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1qo6 s GLU 40 CO -0.04 -0.38 0.00 2.41 0.02 0.00 0.00 175.26 177.27 1qo6 n THR 41 N 1.28 0.00 -3.04 3.63 -1.04 0.33 -4.87 114.28 110.57 1qo6 n THR 41 Ca 0.03 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.03 1qo6 n THR 41 Cb 0.40 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.91 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 -1.81 -3.04 2.41 0.00 -1.21 -4.52 120.51 112.35 1qo6 n ALA 42 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 1qo6 n ALA 42 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.90 0.00 -3.64 0.00 0.24 -1.26 -4.93 118.33 110.64 1qo6 n VAL 43 Ca -0.05 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1qo6 n VAL 43 Cb 0.24 -0.95 -0.07 0.00 -1.47 0.00 0.00 33.84 31.59 1qo6 n VAL 43 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1qo6 s THR 44 N 0.81 0.00 0.43 3.34 2.01 -1.26 -4.80 115.64 116.17 1qo6 s THR 44 Ca 0.02 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.09 1qo6 s THR 44 Cb -0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1qo6 s THR 44 CO 0.01 0.00 0.25 -1.10 -0.69 0.00 0.00 174.62 173.09 1qo6 s GLN 45 N 0.22 2.31 -0.21 4.92 -1.52 -1.26 -5.02 119.66 119.10 1qo6 s GLN 45 Ca 0.04 -1.79 -0.27 0.00 -1.95 0.00 0.00 55.36 51.39 1qo6 s GLN 45 Cb -0.05 -2.09 0.08 0.00 -0.22 0.00 0.00 33.01 30.72 1qo6 s GLN 45 CO -0.08 -0.19 0.75 0.95 -0.25 0.00 0.00 175.29 176.47 1qo6 s THR 46 N -2.59 0.00 -0.25 -0.19 -4.23 -1.24 -4.26 115.64 102.88 1qo6 s THR 46 Ca 0.42 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.85 1qo6 s THR 46 Cb 0.01 -1.00 0.12 0.00 1.34 0.00 0.00 72.50 72.97 1qo6 s THR 46 CO 0.24 0.00 0.53 -0.72 -0.54 0.00 0.00 174.62 174.12 1qo6 s TYR 47 N -0.09 -1.10 0.00 3.99 -0.85 -1.25 -4.79 117.35 113.26 1qo6 s TYR 47 Ca -0.03 1.82 0.00 0.00 -0.52 0.00 0.00 57.07 58.35 1qo6 s TYR 47 Cb -0.04 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.82 1qo6 s TYR 47 CO 0.03 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.85 1qo6 n GLY 48 N 5.42 0.31 7.00 5.49 0.00 -1.26 -4.20 105.19 117.95 1qo6 n GLY 48 Ca -0.09 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 3.73 0.01 -0.02 0.00 -1.26 0.72 105.19 108.36 1qo6 n GLY 49 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1qo6 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 50 N 6.32 0.19 -0.38 1.61 3.02 0.36 -4.59 115.26 121.78 1qo6 n ASN 50 Ca 0.00 -0.59 0.05 0.00 -0.03 0.00 0.00 54.58 54.00 1qo6 n ASN 50 Cb 0.00 0.91 0.12 0.00 -0.61 0.00 0.00 39.78 40.19 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qo6 n SER 51 N -0.93 2.69 -2.05 6.41 2.88 -0.81 -4.69 113.62 117.11 1qo6 n SER 51 Ca 0.00 -2.33 -0.13 0.00 -1.33 0.00 0.00 58.87 55.08 1qo6 n SER 51 Cb 0.03 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.28 -3.88 -0.92 -3.46 5.15 0.22 -4.10 115.26 107.98 1qo6 n ASN 52 Ca 0.10 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1qo6 n ASN 52 Cb 0.48 -3.40 0.00 0.00 -0.53 0.00 0.00 39.78 36.32 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 -0.61 -2.02 3.84 8.20 0.00 -1.02 -4.30 105.19 109.28 1qo6 n GLY 53 Ca -0.15 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.28 1.71 0.33 1.61 -1.05 -1.26 -4.95 118.70 113.79 1qo6 s GLU 54 Ca 0.00 -0.96 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 1qo6 s GLU 54 Cb 0.00 0.57 -0.11 0.00 -0.44 0.00 0.00 34.13 34.15 1qo6 s GLU 54 CO 0.00 -0.78 1.44 -1.25 0.95 0.00 0.00 175.26 175.62 1qo6 s PRO 55 N -3.62 4.21 0.85 -4.83 0.04 -1.26 -4.83 135.00 125.56 1qo6 s PRO 55 Ca 0.12 2.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 1qo6 s PRO 55 Cb -0.05 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.58 1qo6 s PRO 55 CO 0.06 -0.43 1.21 0.00 0.04 0.00 0.00 177.00 177.88 1qo6 n VAL 57 N -3.42 1.66 -4.56 0.00 3.14 0.75 -4.85 118.33 111.05 1qo6 n VAL 57 Ca 0.10 -5.05 -0.28 0.00 -2.96 0.00 0.00 64.34 56.16 1qo6 n VAL 57 Cb 0.60 -1.46 -0.10 0.00 -1.06 0.00 0.00 33.84 31.82 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 -2.64 2.89 -0.01 6.55 1.02 -1.26 -3.78 118.68 121.45 1qo6 s LEU 58 Ca 0.43 -1.34 -0.30 0.00 0.02 0.00 0.00 54.13 52.93 1qo6 s LEU 58 Cb 0.24 -0.96 -0.06 0.00 0.02 0.00 0.00 46.19 45.42 1qo6 s LEU 58 CO -0.09 -0.48 1.62 -2.84 0.02 0.00 0.00 176.35 174.59 1qo6 s PRO 59 N -3.74 4.20 0.51 1.29 0.02 -1.26 -5.03 135.00 130.99 1qo6 s PRO 59 Ca 0.35 2.21 0.08 0.00 0.02 0.00 0.00 61.00 63.65 1qo6 s PRO 59 Cb 0.09 -3.81 0.03 0.00 0.02 0.00 0.00 34.50 30.83 1qo6 s PRO 59 CO 0.18 -0.77 0.53 -0.59 -0.33 0.00 0.00 177.00 176.01 1qo6 s PHE 60 N 3.37 1.95 -0.14 6.54 -0.12 -0.88 -4.87 117.98 123.84 1qo6 s PHE 60 Ca 0.72 -0.67 0.02 0.00 -0.05 0.00 0.00 56.93 56.94 1qo6 s PHE 60 Cb -0.35 -2.11 0.02 0.00 -0.63 0.00 0.00 43.02 39.94 1qo6 s PHE 60 CO 0.30 -0.58 -0.18 0.99 -0.05 0.00 0.00 175.22 175.70 1qo6 s THR 61 N -2.62 1.82 -0.02 -4.49 2.01 -1.26 -1.63 115.64 109.44 1qo6 s THR 61 Ca 0.48 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1qo6 s THR 61 Cb -0.04 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1qo6 s THR 61 CO 0.29 0.50 -0.00 -0.47 -0.69 0.00 0.00 174.62 174.25 1qo6 s TYR 62 N 1.09 0.25 0.00 4.92 5.04 -0.70 -4.78 117.35 123.17 1qo6 s TYR 62 Ca -0.02 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1qo6 s TYR 62 Cb -0.14 -0.31 0.00 0.00 0.35 0.00 0.00 41.96 41.85 1qo6 s TYR 62 CO -0.06 -0.09 0.00 0.09 -1.34 0.00 0.00 175.55 174.15 1qo6 n ASN 63 N 3.84 -4.44 0.00 4.32 3.02 -1.26 -1.97 115.26 118.77 1qo6 n ASN 63 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1qo6 n ASN 63 Cb 0.53 -2.27 0.00 0.00 -0.61 0.00 0.00 39.78 37.43 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 -0.67 3.16 0.00 7.41 0.00 -1.26 -5.06 105.19 108.76 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 -1.51 0.99 -4.21 1.61 0.00 -0.83 -5.07 116.66 107.63 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 -0.10 0.00 -0.00 0.00 0.00 32.46 32.36 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 0.65 0.94 -0.14 8.89 2.01 -1.26 -1.72 115.64 125.02 1qo6 s THR 66 Ca 0.00 -1.99 -0.06 0.00 0.31 0.00 0.00 61.69 59.95 1qo6 s THR 66 Cb 0.00 -1.76 0.06 0.00 0.01 0.00 0.00 72.50 70.82 1qo6 s THR 66 CO 0.00 -0.80 0.30 -0.36 -0.69 0.00 0.00 174.62 173.07 1qo6 s PHE 67 N -3.43 -0.47 -0.36 4.92 0.40 -0.64 -4.94 117.98 113.45 1qo6 s PHE 67 Ca 0.14 1.04 0.10 0.00 -0.60 0.00 0.00 56.93 57.62 1qo6 s PHE 67 Cb 0.04 0.06 0.69 0.00 0.51 0.00 0.00 43.02 44.32 1qo6 s PHE 67 CO -0.02 -0.34 1.62 0.66 0.70 0.00 0.00 175.22 177.84 1qo6 n TYR 68 N 4.97 1.96 -3.53 0.36 4.02 -1.26 -2.07 117.16 121.61 1qo6 n TYR 68 Ca -0.13 -0.82 0.00 0.00 -0.01 0.00 0.00 57.90 56.94 1qo6 n TYR 68 Cb 0.51 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 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 0.27 0.00 -4.41 7.72 2.88 -1.26 -4.83 113.62 113.99 1qo6 n SER 69 Ca 0.29 -0.67 -0.31 0.00 -1.33 0.00 0.00 58.87 56.85 1qo6 n SER 69 Cb 1.15 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.80 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 -2.37 0.00 -0.08 0.00 -1.32 0.38 -4.90 115.64 107.35 1qo6 s THR 71 Ca 0.61 -0.42 0.11 0.00 -1.21 0.00 0.00 61.69 60.79 1qo6 s THR 71 Cb -0.19 -1.66 0.18 0.00 -1.51 0.00 0.00 72.50 69.32 1qo6 s THR 71 CO 0.65 0.00 1.09 0.35 -2.21 0.00 0.00 174.62 174.50 1qo6 n THR 72 N -0.39 1.12 0.11 5.08 -2.24 -1.26 -0.51 114.28 116.19 1qo6 n THR 72 Ca -0.07 -1.36 -0.21 0.00 -2.27 0.00 0.00 64.05 60.14 1qo6 n THR 72 Cb 0.61 0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.77 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qo6 h GLU 73 N 0.01 0.48 -2.20 -0.78 4.39 -1.96 -3.35 114.58 111.18 1qo6 h GLU 73 Ca -0.00 -0.74 -0.75 0.00 0.34 0.00 0.00 59.36 58.21 1qo6 h GLU 73 Cb 1.17 0.26 -0.31 0.00 -0.10 0.00 0.00 28.75 29.77 1qo6 h GLU 73 CO 0.00 1.34 0.64 0.41 -1.16 0.00 0.00 179.01 180.24 1qo6 n GLY 74 N 1.50 5.96 3.40 -3.84 0.00 -1.26 -4.97 105.19 105.98 1qo6 n GLY 74 Ca -0.13 -2.62 -0.10 0.00 0.00 0.00 0.00 46.02 43.17 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 -4.10 1.20 -0.01 1.61 1.70 -1.26 -5.04 118.95 113.06 1qo6 s ARG 75 Ca 0.43 -0.78 0.20 0.00 -0.47 0.00 0.00 55.73 55.11 1qo6 s ARG 75 Cb 0.25 0.49 0.33 0.00 -0.57 0.00 0.00 34.95 35.45 1qo6 s ARG 75 CO -0.17 -0.49 1.13 1.04 -1.08 0.00 0.00 175.30 175.73 1qo6 n GLN 76 N -0.28 0.06 -0.03 3.89 6.02 -1.26 -4.87 117.38 120.91 1qo6 n GLN 76 Ca -0.13 -1.82 -0.06 0.00 -0.01 0.00 0.00 57.00 54.98 1qo6 n GLN 76 Cb 0.63 -0.17 -0.02 0.00 1.02 0.00 0.00 30.24 31.70 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 0.32 0.74 0.00 1.08 2.03 -1.26 -5.06 116.55 114.41 1qo6 n ASP 77 Ca 0.05 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1qo6 n ASP 77 Cb 1.03 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qo6 n GLY 78 N 2.71 1.61 3.15 0.27 0.00 -1.26 -5.12 105.19 106.55 1qo6 n GLY 78 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.83 2.67 0.50 1.61 3.76 -1.26 -5.01 115.29 115.74 1qo6 s HIS 79 Ca 0.00 -1.42 -0.19 0.00 -0.15 0.00 0.00 55.06 53.30 1qo6 s HIS 79 Cb 0.00 -1.83 -0.13 0.00 1.11 0.00 0.00 32.58 31.72 1qo6 s HIS 79 CO 0.00 -0.67 0.09 1.28 -0.85 0.00 0.00 174.74 174.59 1qo6 n LEU 80 N 4.24 -2.33 -3.96 0.89 4.32 -1.26 -4.72 117.00 114.19 1qo6 n LEU 80 Ca -0.20 0.71 -0.09 0.00 -0.02 0.00 0.00 56.01 56.40 1qo6 n LEU 80 Cb 0.51 -0.94 -0.06 0.00 -1.62 0.00 0.00 43.42 41.31 1qo6 n LEU 80 CO 0.27 -4.21 0.09 -1.66 -1.22 0.00 0.00 177.39 170.66 1qo6 s TRP 81 N -1.87 0.35 0.10 -1.77 1.48 0.33 -0.11 118.94 117.45 1qo6 s TRP 81 Ca 0.60 -0.70 -0.11 0.00 -1.06 0.00 0.00 56.10 54.84 1qo6 s TRP 81 Cb -0.51 0.08 0.01 0.00 -1.16 0.00 0.00 33.47 31.89 1qo6 s TRP 81 CO 0.62 -0.85 0.25 0.00 -4.06 0.00 0.00 176.95 172.91 1qo6 s SER 83 N -2.85 6.77 0.00 0.00 1.04 -1.26 0.13 113.70 117.53 1qo6 s SER 83 Ca 0.05 0.91 0.22 0.00 0.48 0.00 0.00 55.95 57.62 1qo6 s SER 83 Cb 0.04 -2.25 0.32 0.00 0.10 0.00 0.00 66.02 64.23 1qo6 s SER 83 CO -0.11 0.27 1.32 0.35 0.98 0.00 0.00 173.24 176.05 1qo6 n THR 84 N 2.17 0.32 -3.67 2.02 -2.24 -0.93 0.27 114.28 112.21 1qo6 n THR 84 Ca -0.13 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 60.85 1qo6 n THR 84 Cb 0.52 1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 69.84 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 -1.61 0.00 0.18 4.28 2.01 -1.26 -4.66 115.64 114.58 1qo6 s THR 85 Ca 0.33 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 62.05 1qo6 s THR 85 Cb 0.21 -0.79 0.06 0.00 0.01 0.00 0.00 72.50 71.98 1qo6 s THR 85 CO 0.30 -0.02 1.56 -1.28 -0.69 0.00 0.00 174.62 174.49 1qo6 h SER 86 N 4.98 -1.61 -0.89 3.53 0.87 -1.91 -3.17 113.55 115.34 1qo6 h SER 86 Ca -0.28 0.27 -0.55 0.00 -1.23 0.00 0.00 61.79 60.00 1qo6 h SER 86 Cb 1.17 0.75 -0.08 0.00 -0.44 0.00 0.00 62.40 63.80 1qo6 h SER 86 CO 0.18 -0.31 1.58 0.20 -0.53 0.00 0.00 176.83 177.95 1qo6 s ASN 87 N -5.26 6.24 0.04 6.23 0.02 -1.26 -4.73 114.94 116.23 1qo6 s ASN 87 Ca -0.14 -1.70 -0.05 0.00 -1.02 0.00 0.00 52.86 49.95 1qo6 s ASN 87 Cb 0.14 -2.57 -0.29 0.00 0.02 0.00 0.00 41.25 38.55 1qo6 s ASN 87 CO 0.66 -1.76 1.02 0.22 0.02 0.00 0.00 177.10 177.26 1qo6 h TYR 88 N 9.25 0.54 -0.10 2.20 3.20 -1.92 -1.76 116.97 128.39 1qo6 h TYR 88 Ca 0.27 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1qo6 h TYR 88 Cb 0.95 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1qo6 h TYR 88 CO 1.31 1.35 0.00 0.39 -1.64 0.00 0.00 178.16 179.57 1qo6 n GLU 89 N -3.52 1.23 0.01 1.82 -0.58 -1.26 -1.48 120.64 116.86 1qo6 n GLU 89 Ca -0.12 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1qo6 n GLU 89 Cb 1.04 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.83 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 -0.21 0.00 0.10 3.49 -0.06 -1.22 -4.82 117.38 114.67 1qo6 n GLN 90 Ca 0.03 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 55.12 1qo6 n GLN 90 Cb 0.08 -0.39 -0.00 0.00 -4.06 0.00 0.00 30.24 25.87 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 0.00 0.00 -6.40 1.69 5.19 -1.45 -3.48 116.42 111.97 1qo6 h ASP 91 Ca 0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 1qo6 h ASP 91 Cb 0.69 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 1qo6 h ASP 91 CO 0.00 0.16 -0.88 1.67 -3.12 0.00 0.00 179.24 177.07 1qo6 n GLN 92 N -2.79 -3.37 -2.97 3.56 -0.06 -0.55 -4.91 117.38 106.30 1qo6 n GLN 92 Ca -0.02 0.45 -0.32 0.00 -2.00 0.00 0.00 57.00 55.11 1qo6 n GLN 92 Cb 0.63 -4.59 -0.03 0.00 -4.06 0.00 0.00 30.24 22.18 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1qo6 n LYS 93 N -4.36 3.74 -2.68 3.69 0.00 -1.26 -4.99 118.16 112.30 1qo6 n LYS 93 Ca -0.29 -4.76 -0.26 0.00 -0.00 0.00 0.00 58.31 53.00 1qo6 n LYS 93 Cb 0.68 -2.32 0.01 0.00 -0.00 0.00 0.00 35.03 33.40 1qo6 n LYS 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1qo6 s TYR 94 N -3.42 3.38 0.30 5.58 -0.85 -1.26 -2.19 117.35 118.88 1qo6 s TYR 94 Ca 0.43 0.60 0.04 0.00 -0.52 0.00 0.00 57.07 57.62 1qo6 s TYR 94 Cb 0.21 -2.43 -0.06 0.00 0.38 0.00 0.00 41.96 40.06 1qo6 s TYR 94 CO -0.09 -0.46 0.04 -1.12 -1.52 0.00 0.00 175.55 172.40 1qo6 s SER 95 N -4.19 2.19 0.66 -0.18 0.01 0.35 -0.49 113.70 112.04 1qo6 s SER 95 Ca 0.49 -1.33 0.01 0.00 1.31 0.00 0.00 55.95 56.43 1qo6 s SER 95 Cb -0.10 -0.05 0.12 0.00 0.21 0.00 0.00 66.02 66.19 1qo6 s SER 95 CO 0.43 -0.58 0.81 0.49 0.41 0.00 0.00 173.24 174.80 1qo6 n PHE 96 N -0.61 -2.95 -3.44 2.43 3.72 -1.26 0.79 117.46 116.14 1qo6 n PHE 96 Ca -0.03 -1.49 -0.08 0.00 -0.05 0.00 0.00 57.45 55.80 1qo6 n PHE 96 Cb 0.66 -0.59 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 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 5.38 0.00 0.00 0.00 -2.24 -1.26 -4.06 114.28 112.10 1qo6 n THR 98 Ca -0.05 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1qo6 n THR 98 Cb 0.50 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 99 N -3.47 0.00 -0.62 3.42 2.03 -1.26 -4.95 116.55 111.71 1qo6 n ASP 99 Ca 0.02 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.41 1qo6 n ASP 99 Cb 0.10 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.48 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1qo6 n HIS 100 N 0.00 -2.58 -0.42 -0.67 8.25 -1.26 -5.18 115.22 113.35 1qo6 n HIS 100 Ca 0.00 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 1qo6 n HIS 100 Cb 0.00 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 29.82 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23