#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 1.39 3.54 -7.48 0.00 -1.26 -4.76 105.19 96.62 1qo6 n GLY 2 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 1.01 -3.64 1.61 8.25 -1.26 -3.74 115.22 117.45 1qo6 n HIS 3 Ca 0.00 0.89 -0.24 0.00 -0.26 0.00 0.00 57.72 58.12 1qo6 n HIS 3 Cb 0.00 -2.19 0.00 0.00 1.12 0.00 0.00 29.99 28.92 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 -2.69 0.01 0.06 0.00 1.01 -1.26 0.16 120.40 117.69 1qo6 s VAL 5 Ca 0.43 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 1qo6 s VAL 5 Cb -0.03 -0.96 -0.28 0.00 0.00 0.00 0.00 36.38 35.11 1qo6 s VAL 5 CO 0.26 -0.04 1.07 0.71 0.00 0.00 0.00 175.10 177.10 1qo6 h THR 6 N 2.96 1.42 0.00 3.92 1.35 -1.96 -3.47 112.91 117.13 1qo6 h THR 6 Ca -0.28 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 62.58 1qo6 h THR 6 Cb 1.17 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 1qo6 h THR 6 CO 0.39 0.87 0.00 -0.67 -0.25 0.00 0.00 175.52 175.87 1qo6 n ASP 7 N -3.52 -1.95 0.00 5.36 2.03 -1.26 -5.06 116.55 112.16 1qo6 n ASP 7 Ca -0.10 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1qo6 n ASP 7 Cb 1.03 2.03 0.00 0.00 -0.72 0.00 0.00 41.12 43.46 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1qo6 n SER 8 N -3.06 0.00 0.00 1.67 3.41 -1.26 -5.03 113.62 109.35 1qo6 n SER 8 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qo6 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.14 2.83 5.00 0.00 -1.26 -5.07 105.19 106.83 1qo6 n GLY 9 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.88 1.89 -1.07 1.61 1.01 -1.26 -5.04 120.40 116.65 1qo6 s VAL 10 Ca 0.00 -2.75 -0.23 0.00 0.00 0.00 0.00 61.98 58.99 1qo6 s VAL 10 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 1qo6 s VAL 10 CO 0.00 -0.82 1.91 -0.69 0.00 0.00 0.00 175.10 175.50 1qo6 s VAL 11 N 0.23 3.55 -0.51 2.92 1.01 -1.26 -3.59 120.40 122.75 1qo6 s VAL 11 Ca 0.16 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 1qo6 s VAL 11 Cb -0.24 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 1qo6 s VAL 11 CO -0.02 -1.07 1.71 -0.31 0.00 0.00 0.00 175.10 175.41 1qo6 s TYR 12 N 10.04 1.89 0.96 5.22 2.02 0.41 -4.69 117.35 133.21 1qo6 s TYR 12 Ca 0.67 0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 57.87 1qo6 s TYR 12 Cb -0.03 -4.19 0.05 0.00 -0.40 0.00 0.00 41.96 37.40 1qo6 s TYR 12 CO 0.06 -2.38 -0.21 0.43 -1.57 0.00 0.00 175.55 171.88 1qo6 n SER 13 N 11.10 -2.71 -4.47 2.29 7.64 -1.26 0.23 113.62 126.45 1qo6 n SER 13 Ca 0.19 -0.19 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1qo6 n SER 13 Cb 0.50 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1qo6 n SER 13 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1qo6 n VAL 14 N -4.03 4.21 0.00 0.44 3.14 -1.25 -3.57 118.33 117.28 1qo6 n VAL 14 Ca 0.02 -4.63 0.00 0.00 -2.96 0.00 0.00 64.34 56.77 1qo6 n VAL 14 Cb 0.46 -2.45 0.00 0.00 -1.06 0.00 0.00 33.84 30.79 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 4.25 1.17 0.10 7.55 0.00 -0.61 -4.92 105.19 112.72 1qo6 n GLY 15 Ca 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qo6 h MET 16 N 0.00 0.00 -3.85 1.61 -1.53 -1.82 -3.50 114.93 105.84 1qo6 h MET 16 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1qo6 h MET 16 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 1qo6 h MET 16 CO 0.00 0.63 -0.89 1.04 0.14 0.00 0.00 176.91 177.83 1qo6 n GLN 17 N -3.19 -4.46 -1.33 0.39 6.02 -1.26 -5.05 117.38 108.50 1qo6 n GLN 17 Ca -0.03 3.33 -0.00 0.00 -0.01 0.00 0.00 57.00 60.29 1qo6 n GLN 17 Cb 0.86 -3.82 0.00 0.00 1.02 0.00 0.00 30.24 28.31 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 -0.97 -0.83 -4.19 1.08 2.14 -0.82 -5.02 117.44 108.83 1qo6 n TRP 18 Ca 0.00 -0.07 -0.16 0.00 2.07 0.00 0.00 57.50 59.34 1qo6 n TRP 18 Cb 0.02 0.03 -0.11 0.00 -0.81 0.00 0.00 31.31 30.44 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 2.37 -0.01 5.67 2.01 -1.26 -2.43 118.68 125.03 1qo6 s LEU 19 Ca 0.01 -0.76 0.01 0.00 0.01 0.00 0.00 54.13 53.40 1qo6 s LEU 19 Cb -0.00 -0.41 0.00 0.00 0.01 0.00 0.00 46.19 45.79 1qo6 s LEU 19 CO 0.00 -0.19 -0.04 -0.75 1.01 0.00 0.00 176.35 176.38 1qo6 s LYS 20 N -2.51 0.45 0.00 1.70 2.47 0.51 -4.82 119.74 117.54 1qo6 s LYS 20 Ca 0.04 -0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.32 1qo6 s LYS 20 Cb -0.05 -0.47 0.00 0.00 -1.46 0.00 0.00 37.83 35.85 1qo6 s LYS 20 CO 0.01 0.05 0.00 2.41 0.16 0.00 0.00 175.35 177.98 1qo6 n THR 21 N 3.26 0.00 -1.61 3.43 -1.04 -1.26 0.40 114.28 117.47 1qo6 n THR 21 Ca -0.17 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.08 1qo6 n THR 21 Cb 0.56 0.97 -0.01 0.00 -1.82 0.00 0.00 70.33 70.04 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 -0.75 2.82 0.00 -2.82 6.02 -1.26 -3.59 117.38 117.80 1qo6 n GLN 22 Ca 0.00 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.53 1qo6 n GLN 22 Cb 0.00 -3.18 0.00 0.00 1.02 0.00 0.00 30.24 28.08 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qo6 n GLY 23 N 4.07 0.19 0.34 1.08 0.00 -1.26 -5.07 105.19 104.55 1qo6 n GLY 23 Ca 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1qo6 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 24 N -1.25 -0.31 0.00 1.61 4.13 -1.24 -5.07 115.26 113.13 1qo6 n ASN 24 Ca 0.00 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1qo6 n ASN 24 Cb 0.00 0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1qo6 n LYS 25 N -2.51 0.00 -3.89 3.52 0.00 -1.26 -5.15 118.16 108.88 1qo6 n LYS 25 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1qo6 n LYS 25 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 34.90 1qo6 n LYS 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1qo6 s GLN 26 N -0.53 0.10 -0.27 -1.58 2.00 -1.26 -4.71 119.66 113.41 1qo6 s GLN 26 Ca 0.00 -0.12 -0.23 0.00 -2.00 0.00 0.00 55.36 53.01 1qo6 s GLN 26 Cb 0.00 0.04 0.07 0.00 0.80 0.00 0.00 33.01 33.92 1qo6 s GLN 26 CO 0.00 -0.02 0.72 1.41 -0.50 0.00 0.00 175.29 176.91 1qo6 s MET 27 N -0.34 0.80 -0.06 1.67 -2.45 0.16 0.84 119.30 119.91 1qo6 s MET 27 Ca -0.04 1.05 -0.02 0.00 -1.25 0.00 0.00 55.69 55.42 1qo6 s MET 27 Cb -0.02 0.34 -0.04 0.00 1.25 0.00 0.00 34.83 36.35 1qo6 s MET 27 CO -0.00 -0.11 0.06 -1.17 1.05 0.00 0.00 175.02 174.84 1qo6 s LEU 28 N 0.70 3.85 0.08 4.11 2.96 -0.84 0.19 118.68 129.73 1qo6 s LEU 28 Ca -0.03 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1qo6 s LEU 28 Cb -0.05 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1qo6 s LEU 28 CO -0.05 0.35 -0.06 0.00 -1.32 0.00 0.00 176.35 175.27 1qo6 s THR 30 N -3.21 0.00 -0.41 0.00 2.01 -0.67 -1.94 115.64 111.41 1qo6 s THR 30 Ca 0.06 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.99 1qo6 s THR 30 Cb 0.03 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.63 1qo6 s THR 30 CO -0.05 0.00 0.23 0.00 -0.69 0.00 0.00 174.62 174.12 1qo6 n LEU 32 N 4.80 0.00 0.00 0.00 -0.00 -0.89 -1.57 117.00 119.34 1qo6 n LEU 32 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1qo6 n LEU 32 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1qo6 n LEU 32 CO 0.37 0.00 -0.13 0.61 -0.00 0.00 0.00 177.39 178.24 1qo6 n GLY 33 N 3.86 0.00 0.25 1.47 0.00 -1.26 -4.58 105.19 104.92 1qo6 n GLY 33 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.96 -3.41 115.58 110.75 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 0.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.51 1qo6 h ASN 34 CO 0.00 0.02 0.00 0.61 0.07 0.00 0.00 177.43 178.13 1qo6 n GLY 35 N 0.56 -0.51 2.97 9.14 0.00 -1.26 -4.72 105.19 111.37 1qo6 n GLY 35 Ca 0.02 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 0.91 -0.12 1.61 1.01 -1.26 -2.10 120.40 120.45 1qo6 s VAL 36 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1qo6 s VAL 36 Cb 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1qo6 s VAL 36 CO 0.00 0.31 -0.14 -0.55 0.00 0.00 0.00 175.10 174.72 1qo6 s SER 37 N 0.76 2.46 0.25 3.32 0.15 0.11 -4.95 113.70 115.82 1qo6 s SER 37 Ca -0.13 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.16 1qo6 s SER 37 Cb -0.15 -1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 63.02 1qo6 s SER 37 CO 0.02 -0.02 -0.08 0.00 1.20 0.00 0.00 173.24 174.36 1qo6 s GLN 39 N -3.71 1.25 0.30 0.00 -0.21 0.34 -4.95 119.66 112.67 1qo6 s GLN 39 Ca 0.27 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.64 1qo6 s GLN 39 Cb 0.03 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.60 1qo6 s GLN 39 CO 0.10 -0.59 1.15 -1.21 -2.12 0.00 0.00 175.29 172.62 1qo6 s GLU 40 N 1.59 4.55 0.00 2.91 2.02 -1.26 -1.98 118.70 126.53 1qo6 s GLU 40 Ca -0.03 1.90 0.00 0.00 0.02 0.00 0.00 54.97 56.86 1qo6 s GLU 40 Cb -0.18 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1qo6 s GLU 40 CO -0.07 0.10 0.00 2.41 0.02 0.00 0.00 175.26 177.72 1qo6 n THR 41 N 1.05 0.00 -2.40 3.63 -1.04 0.25 -4.76 114.28 111.00 1qo6 n THR 41 Ca -0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.96 1qo6 n THR 41 Cb 0.44 0.00 -0.04 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 -3.38 -3.00 2.41 0.00 -1.23 -4.78 120.51 110.52 1qo6 n ALA 42 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 53.44 55.30 1qo6 n ALA 42 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 19.45 15.73 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 1.51 0.00 -3.79 0.00 0.24 -1.26 -5.03 118.33 110.00 1qo6 n VAL 43 Ca -0.31 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 61.95 1qo6 n VAL 43 Cb 0.48 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.85 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1qo6 s THR 44 N -1.76 0.00 0.29 3.34 -4.23 -1.26 -4.38 115.64 107.64 1qo6 s THR 44 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1qo6 s THR 44 Cb 0.00 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1qo6 s THR 44 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1qo6 n GLN 45 N -0.51 0.00 -1.64 3.99 1.13 -1.26 -5.10 117.38 113.99 1qo6 n GLN 45 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1qo6 n GLN 45 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1qo6 n THR 46 N -3.28 -3.97 0.00 5.09 -2.24 -1.18 -4.75 114.28 103.94 1qo6 n THR 46 Ca 0.00 1.89 0.00 0.00 -2.27 0.00 0.00 64.05 63.67 1qo6 n THR 46 Cb 0.00 -2.88 0.00 0.00 -2.10 0.00 0.00 70.33 65.35 1qo6 n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n TYR 47 N -1.97 0.00 0.00 4.78 0.18 -1.26 -4.78 117.16 114.11 1qo6 n TYR 47 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1qo6 n TYR 47 Cb 0.31 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.27 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qo6 n GLY 48 N 2.15 3.24 1.96 -7.48 0.00 -1.26 -2.87 105.19 100.92 1qo6 n GLY 48 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.20 0.00 -0.02 0.00 -1.26 -1.99 105.19 103.12 1qo6 n GLY 49 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 2.29 1.62 -0.01 1.61 2.85 -0.67 -4.60 115.26 118.35 1qo6 n ASN 50 Ca 0.00 -0.37 0.09 0.00 -0.11 0.00 0.00 54.58 54.20 1qo6 n ASN 50 Cb 0.00 1.05 -0.14 0.00 1.24 0.00 0.00 39.78 41.93 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 -1.26 0.71 -1.12 1.20 2.88 0.14 -4.62 113.62 111.56 1qo6 n SER 51 Ca 0.00 -0.26 -0.13 0.00 -1.33 0.00 0.00 58.87 57.15 1qo6 n SER 51 Cb 0.06 1.63 -0.05 0.00 -0.75 0.00 0.00 64.21 65.10 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 -1.96 -4.49 -0.39 -3.46 5.15 -1.23 -4.16 115.26 104.72 1qo6 n ASN 52 Ca -0.02 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1qo6 n ASN 52 Cb 0.44 -3.26 0.00 0.00 -0.53 0.00 0.00 39.78 36.43 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 -1.29 0.42 3.25 8.20 0.00 -1.14 -4.58 105.19 110.06 1qo6 n GLY 53 Ca -0.14 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.49 1.21 -0.09 1.61 2.02 -1.26 -4.96 118.70 115.75 1qo6 s GLU 54 Ca 0.00 -1.62 -0.30 0.00 0.02 0.00 0.00 54.97 53.07 1qo6 s GLU 54 Cb 0.00 -0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.06 1qo6 s GLU 54 CO 0.00 -0.24 1.50 -2.14 0.02 0.00 0.00 175.26 174.39 1qo6 s PRO 55 N -4.01 4.20 1.26 0.39 0.02 -1.26 -4.83 135.00 130.77 1qo6 s PRO 55 Ca 0.31 1.98 -0.17 0.00 0.02 0.00 0.00 61.00 63.15 1qo6 s PRO 55 Cb 0.07 -3.89 0.30 0.00 0.02 0.00 0.00 34.50 31.00 1qo6 s PRO 55 CO 0.08 -0.78 0.84 0.00 -0.33 0.00 0.00 177.00 176.81 1qo6 n VAL 57 N -5.19 0.31 -3.86 0.00 3.14 0.77 -4.86 118.33 108.65 1qo6 n VAL 57 Ca 0.05 -4.63 -0.22 0.00 -2.96 0.00 0.00 64.34 56.58 1qo6 n VAL 57 Cb 0.56 -0.95 -0.04 0.00 -1.06 0.00 0.00 33.84 32.34 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 -2.27 3.43 0.09 6.55 -0.00 -1.26 -3.94 118.68 121.27 1qo6 s LEU 58 Ca 0.40 -0.67 -0.31 0.00 -0.00 0.00 0.00 54.13 53.56 1qo6 s LEU 58 Cb 0.28 -2.00 -0.09 0.00 -0.00 0.00 0.00 46.19 44.39 1qo6 s LEU 58 CO -0.09 -0.42 1.69 -2.16 -0.00 0.00 0.00 176.35 175.37 1qo6 s PRO 59 N -3.98 4.18 0.48 1.48 0.04 -1.26 -5.01 135.00 130.94 1qo6 s PRO 59 Ca 0.42 2.40 0.07 0.00 0.04 0.00 0.00 61.00 63.93 1qo6 s PRO 59 Cb -0.04 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.97 1qo6 s PRO 59 CO 0.25 -0.75 0.47 -0.59 0.04 0.00 0.00 177.00 176.42 1qo6 s PHE 60 N 2.52 2.19 -0.12 0.56 -0.12 -0.98 -4.87 117.98 117.17 1qo6 s PHE 60 Ca 0.75 -0.62 0.02 0.00 -0.05 0.00 0.00 56.93 57.03 1qo6 s PHE 60 Cb -0.42 -2.12 0.01 0.00 -0.63 0.00 0.00 43.02 39.86 1qo6 s PHE 60 CO 0.33 -0.42 -0.17 0.99 -0.05 0.00 0.00 175.22 175.90 1qo6 s THR 61 N -2.58 1.68 -0.05 -4.49 2.01 -1.26 -2.16 115.64 108.79 1qo6 s THR 61 Ca 0.47 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 1qo6 s THR 61 Cb -0.04 -1.52 0.04 0.00 0.01 0.00 0.00 72.50 70.99 1qo6 s THR 61 CO 0.28 0.48 0.11 -0.47 -0.69 0.00 0.00 174.62 174.33 1qo6 s TYR 62 N 0.92 -0.10 0.00 4.92 5.04 -0.84 -4.54 117.35 122.75 1qo6 s TYR 62 Ca -0.07 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1qo6 s TYR 62 Cb -0.15 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 41.98 1qo6 s TYR 62 CO -0.01 -0.16 0.00 0.09 -1.34 0.00 0.00 175.55 174.13 1qo6 n ASN 63 N 4.41 -1.80 0.00 4.32 3.02 -1.26 -2.22 115.26 121.73 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 0.51 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 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 -1.69 0.67 0.00 7.41 0.00 -1.26 -5.08 105.19 105.24 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 -1.21 1.55 -4.02 1.61 0.00 -0.94 -5.09 116.66 108.56 1qo6 n ARG 65 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 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 0.92 0.16 -0.03 8.89 2.01 -1.26 -1.99 115.64 124.34 1qo6 s THR 66 Ca 0.00 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 60.75 1qo6 s THR 66 Cb 0.00 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.81 1qo6 s THR 66 CO 0.00 -0.68 0.05 -0.36 -0.69 0.00 0.00 174.62 172.94 1qo6 s PHE 67 N -2.35 -0.02 -1.55 4.92 0.40 -0.92 -4.96 117.98 113.50 1qo6 s PHE 67 Ca -0.08 0.20 0.30 0.00 -0.60 0.00 0.00 56.93 56.75 1qo6 s PHE 67 Cb -0.03 -0.17 1.40 0.00 0.51 0.00 0.00 43.02 44.73 1qo6 s PHE 67 CO -0.04 -0.10 1.97 0.66 0.70 0.00 0.00 175.22 178.41 1qo6 n TYR 68 N 4.02 0.00 -2.19 0.36 4.02 -1.26 -2.33 117.16 119.78 1qo6 n TYR 68 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 1qo6 n TYR 68 Cb 0.52 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1qo6 n SER 69 N -1.12 0.00 -4.20 7.72 7.64 -1.26 -4.71 113.62 117.69 1qo6 n SER 69 Ca 0.15 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.68 1qo6 n SER 69 Cb 0.25 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 -2.19 0.00 -0.19 0.00 -1.32 0.34 -4.91 115.64 107.39 1qo6 s THR 71 Ca 0.48 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.10 1qo6 s THR 71 Cb -0.15 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.23 1qo6 s THR 71 CO 0.73 0.00 1.23 0.35 -2.21 0.00 0.00 174.62 174.72 1qo6 n THR 72 N 0.45 2.13 -0.04 5.08 -2.24 -1.26 -1.39 114.28 117.01 1qo6 n THR 72 Ca -0.11 -2.75 -0.16 0.00 -2.27 0.00 0.00 64.05 58.76 1qo6 n THR 72 Cb 0.59 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.67 0.08 -2.29 -0.78 4.39 -1.96 -3.37 114.58 111.32 1qo6 h GLU 73 Ca 0.02 -0.13 -0.78 0.00 0.34 0.00 0.00 59.36 58.81 1qo6 h GLU 73 Cb 1.09 0.05 -0.24 0.00 -0.10 0.00 0.00 28.75 29.56 1qo6 h GLU 73 CO 0.05 1.06 1.31 0.41 -1.16 0.00 0.00 179.01 180.68 1qo6 n GLY 74 N 1.62 5.85 3.44 -3.84 0.00 -1.26 -4.93 105.19 106.07 1qo6 n GLY 74 Ca -0.12 -2.44 -0.11 0.00 0.00 0.00 0.00 46.02 43.35 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 -3.58 1.29 0.00 1.61 1.70 -1.26 -5.05 118.95 113.65 1qo6 s ARG 75 Ca 0.44 -0.63 0.14 0.00 -0.47 0.00 0.00 55.73 55.21 1qo6 s ARG 75 Cb 0.22 0.55 0.23 0.00 -0.57 0.00 0.00 34.95 35.38 1qo6 s ARG 75 CO -0.15 -0.55 1.08 1.04 -1.08 0.00 0.00 175.30 175.64 1qo6 n GLN 76 N -0.34 0.00 -0.06 3.89 6.02 -1.26 -4.90 117.38 120.72 1qo6 n GLN 76 Ca -0.15 -1.51 -0.09 0.00 -0.01 0.00 0.00 57.00 55.25 1qo6 n GLN 76 Cb 0.64 -0.21 -0.03 0.00 1.02 0.00 0.00 30.24 31.65 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 0.26 1.64 0.00 1.08 5.75 -1.26 -5.05 116.55 118.96 1qo6 n ASP 77 Ca 0.03 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1qo6 n ASP 77 Cb 0.93 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qo6 n GLY 78 N 2.02 -0.26 3.50 6.12 0.00 -1.26 -5.13 105.19 110.19 1qo6 n GLY 78 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.45 3.09 0.30 1.61 3.76 -1.26 -5.07 115.29 117.26 1qo6 s HIS 79 Ca 0.00 -0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.34 1qo6 s HIS 79 Cb 0.00 -2.07 -0.14 0.00 1.11 0.00 0.00 32.58 31.48 1qo6 s HIS 79 CO 0.00 -0.12 1.05 1.28 -0.85 0.00 0.00 174.74 176.10 1qo6 n LEU 80 N 4.01 2.02 -4.17 0.89 4.32 -1.24 -4.74 117.00 118.08 1qo6 n LEU 80 Ca -0.17 1.18 -0.11 0.00 -0.02 0.00 0.00 56.01 56.89 1qo6 n LEU 80 Cb 0.52 -1.31 -0.10 0.00 -1.62 0.00 0.00 43.42 40.91 1qo6 n LEU 80 CO 0.33 -1.28 -0.39 -1.66 -1.22 0.00 0.00 177.39 173.16 1qo6 s TRP 81 N -1.06 0.92 0.27 -1.77 1.48 -0.48 0.14 118.94 118.45 1qo6 s TRP 81 Ca 0.58 -0.87 0.03 0.00 -1.06 0.00 0.00 56.10 54.78 1qo6 s TRP 81 Cb -0.68 -0.53 -0.04 0.00 -1.16 0.00 0.00 33.47 31.06 1qo6 s TRP 81 CO 0.60 -0.12 0.19 0.00 -4.06 0.00 0.00 176.95 173.57 1qo6 s SER 83 N -3.29 6.22 -0.01 0.00 0.15 -1.26 -0.23 113.70 115.27 1qo6 s SER 83 Ca 0.39 0.38 0.14 0.00 0.70 0.00 0.00 55.95 57.56 1qo6 s SER 83 Cb 0.05 -1.96 -0.19 0.00 -1.71 0.00 0.00 66.02 62.21 1qo6 s SER 83 CO 0.19 0.36 0.45 0.35 1.20 0.00 0.00 173.24 175.78 1qo6 n THR 84 N 1.64 0.00 -5.01 6.45 -2.24 -0.50 0.27 114.28 114.90 1qo6 n THR 84 Ca -0.17 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.08 1qo6 n THR 84 Cb 0.54 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 1qo6 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qo6 s THR 85 N -2.69 1.78 0.32 4.28 2.01 -1.25 -4.59 115.64 115.49 1qo6 s THR 85 Ca -0.00 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.06 1qo6 s THR 85 Cb 0.10 -1.49 0.31 0.00 0.01 0.00 0.00 72.50 71.43 1qo6 s THR 85 CO 0.59 0.44 1.71 0.77 -0.69 0.00 0.00 174.62 177.44 1qo6 h SER 86 N 5.39 0.60 -2.94 3.53 4.64 -1.93 -2.77 113.55 120.07 1qo6 h SER 86 Ca -0.41 0.15 -0.72 0.00 -0.47 0.00 0.00 61.79 60.34 1qo6 h SER 86 Cb 1.14 0.07 -0.34 0.00 -0.31 0.00 0.00 62.40 62.96 1qo6 h SER 86 CO 0.47 0.04 0.13 -3.20 -0.87 0.00 0.00 176.83 173.39 1qo6 n ASN 87 N -4.94 4.95 0.16 4.97 5.15 -1.26 -4.71 115.26 119.58 1qo6 n ASN 87 Ca 0.27 -3.29 0.03 0.00 -0.60 0.00 0.00 54.58 50.99 1qo6 n ASN 87 Cb 0.78 -1.06 0.23 0.00 -0.53 0.00 0.00 39.78 39.20 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 5.43 0.00 -0.06 1.20 5.03 -1.80 0.12 116.97 126.90 1qo6 h TYR 88 Ca 0.19 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.51 1qo6 h TYR 88 Cb 0.71 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.99 1qo6 h TYR 88 CO 0.82 0.48 0.09 0.93 -1.32 0.00 0.00 178.16 179.16 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.87 0.01 114.58 119.61 1qo6 h GLU 89 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1qo6 h GLU 89 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1qo6 h GLU 89 CO 0.06 0.00 -1.41 0.00 -1.00 0.00 0.00 179.01 176.66 1qo6 n GLN 90 N -3.57 0.22 0.26 2.33 10.64 -1.11 -4.79 117.38 121.36 1qo6 n GLN 90 Ca -0.02 0.04 -0.13 0.00 -1.83 0.00 0.00 57.00 55.07 1qo6 n GLN 90 Cb 0.18 -1.14 -0.07 0.00 -0.86 0.00 0.00 30.24 28.35 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 -0.60 0.00 2.61 3.58 -0.70 -3.48 116.42 117.84 1qo6 h ASP 91 Ca -0.16 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1qo6 h ASP 91 Cb 1.25 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1qo6 h ASP 91 CO -0.02 -0.20 0.00 1.67 -2.88 0.00 0.00 179.24 177.80 1qo6 n GLN 92 N -5.26 0.00 -3.05 0.28 -0.06 -0.02 -5.00 117.38 104.27 1qo6 n GLN 92 Ca -0.10 0.32 -0.44 0.00 -2.00 0.00 0.00 57.00 54.77 1qo6 n GLN 92 Cb 0.31 -2.85 -0.00 0.00 -4.06 0.00 0.00 30.24 23.63 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 -1.30 4.02 0.41 3.69 3.01 -1.26 -4.99 119.74 123.32 1qo6 s LYS 93 Ca 0.00 -2.61 0.08 0.00 -1.01 0.00 0.00 55.97 52.43 1qo6 s LYS 93 Cb 0.00 -4.90 -0.01 0.00 -1.01 0.00 0.00 37.83 31.91 1qo6 s LYS 93 CO 0.00 -1.62 0.43 1.52 0.51 0.00 0.00 175.35 176.18 1qo6 s TYR 94 N 1.01 2.77 0.14 3.18 -0.85 -1.26 -1.41 117.35 120.93 1qo6 s TYR 94 Ca 0.37 -0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.49 1qo6 s TYR 94 Cb -0.05 -2.19 -0.00 0.00 0.38 0.00 0.00 41.96 40.09 1qo6 s TYR 94 CO -0.04 -0.17 0.04 0.43 -1.52 0.00 0.00 175.55 174.29 1qo6 n SER 95 N -1.62 1.40 -2.45 -0.18 7.64 0.68 0.28 113.62 119.36 1qo6 n SER 95 Ca 0.04 -1.71 -0.04 0.00 1.01 0.00 0.00 58.87 58.17 1qo6 n SER 95 Cb 0.61 0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 64.08 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qo6 n PHE 96 N -0.33 -1.12 -3.62 1.43 3.72 -0.84 -1.60 117.46 115.10 1qo6 n PHE 96 Ca -0.03 -0.38 -0.02 0.00 -0.05 0.00 0.00 57.45 56.97 1qo6 n PHE 96 Cb 0.20 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 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 5.20 2.84 -0.42 0.00 5.66 -1.26 -3.68 114.28 122.61 1qo6 n THR 98 Ca -0.13 -1.48 0.39 0.00 -3.05 0.00 0.00 64.05 59.78 1qo6 n THR 98 Cb 0.51 -0.31 0.64 0.00 -1.55 0.00 0.00 70.33 69.62 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1qo6 h ASP 99 N 3.55 0.00 0.00 1.09 3.58 -1.96 -3.43 116.42 119.24 1qo6 h ASP 99 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1qo6 h ASP 99 Cb 2.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.18 1qo6 h ASP 99 CO 0.59 0.00 0.00 1.57 -2.88 0.00 0.00 179.24 178.52 1qo6 n HIS 100 N -3.63 0.00 -0.32 0.28 -0.00 -1.26 -5.20 115.22 105.09 1qo6 n HIS 100 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1qo6 n HIS 100 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.67 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59