#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 -0.10 2.52 2.72 0.00 -1.26 -4.97 105.19 104.11 1qo6 n GLY 2 Ca 0.00 0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 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 0.96 -4.08 1.61 8.25 -1.26 -2.71 115.22 117.99 1qo6 n HIS 3 Ca 0.00 0.77 -0.30 0.00 -0.26 0.00 0.00 57.72 57.93 1qo6 n HIS 3 Cb 0.00 -1.50 -0.07 0.00 1.12 0.00 0.00 29.99 29.54 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 -1.37 -0.20 0.05 0.00 1.01 -1.26 0.26 120.40 118.90 1qo6 s VAL 5 Ca 0.28 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.28 1qo6 s VAL 5 Cb -0.12 -0.34 -0.14 0.00 0.00 0.00 0.00 36.38 35.78 1qo6 s VAL 5 CO 0.21 0.10 1.52 0.71 0.00 0.00 0.00 175.10 177.64 1qo6 h THR 6 N 6.16 1.21 0.00 3.92 1.35 -1.97 -3.46 112.91 120.11 1qo6 h THR 6 Ca -0.27 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1qo6 h THR 6 Cb 1.13 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1qo6 h THR 6 CO 0.26 0.18 0.00 0.47 -0.25 0.00 0.00 175.52 176.18 1qo6 n ASP 7 N -4.88 -3.19 0.00 5.36 8.00 -1.26 -5.03 116.55 115.55 1qo6 n ASP 7 Ca -0.06 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1qo6 n ASP 7 Cb 0.16 3.04 0.00 0.00 -0.02 0.00 0.00 41.12 44.30 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qo6 n SER 8 N -3.36 0.00 0.00 -2.24 3.41 -1.26 -5.03 113.62 105.14 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 0.00 3.08 5.00 0.00 -1.26 -5.04 105.19 106.97 1qo6 n GLY 9 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.61 2.21 -0.97 1.61 1.01 -1.26 -5.06 120.40 116.33 1qo6 s VAL 10 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 1qo6 s VAL 10 Cb 0.00 -2.29 0.16 0.00 0.00 0.00 0.00 36.38 34.25 1qo6 s VAL 10 CO 0.00 -0.02 1.12 -0.69 0.00 0.00 0.00 175.10 175.52 1qo6 s VAL 11 N 1.11 4.98 1.13 2.92 1.01 -1.26 -3.24 120.40 127.05 1qo6 s VAL 11 Ca -0.08 -1.98 -0.17 0.00 0.00 0.00 0.00 61.98 59.75 1qo6 s VAL 11 Cb -0.20 -4.74 0.25 0.00 0.00 0.00 0.00 36.38 31.69 1qo6 s VAL 11 CO -0.05 -1.44 1.13 -0.31 0.00 0.00 0.00 175.10 174.43 1qo6 s TYR 12 N 1.93 1.00 0.19 5.22 2.02 0.74 -4.77 117.35 123.68 1qo6 s TYR 12 Ca 0.32 0.59 0.10 0.00 -0.37 0.00 0.00 57.07 57.71 1qo6 s TYR 12 Cb -0.05 -3.47 -0.04 0.00 -0.40 0.00 0.00 41.96 37.99 1qo6 s TYR 12 CO -0.08 -3.52 -0.20 -1.12 -1.57 0.00 0.00 175.55 169.07 1qo6 s SER 13 N -3.90 2.97 -0.79 2.29 0.01 -1.26 0.12 113.70 113.15 1qo6 s SER 13 Ca 0.70 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 1qo6 s SER 13 Cb -0.11 -0.20 -0.22 0.00 0.21 0.00 0.00 66.02 65.70 1qo6 s SER 13 CO 0.56 0.00 2.03 0.55 0.41 0.00 0.00 173.24 176.79 1qo6 n VAL 14 N 0.13 0.00 0.00 3.43 3.14 -1.10 -0.48 118.33 123.45 1qo6 n VAL 14 Ca -0.12 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 1qo6 n VAL 14 Cb 0.57 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 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 5.73 0.87 0.11 7.55 0.00 -0.94 -5.01 105.19 113.49 1qo6 n GLY 15 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qo6 n MET 16 N 0.00 0.68 -1.59 1.61 2.00 0.36 -5.05 117.12 115.14 1qo6 n MET 16 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1qo6 n MET 16 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 31.68 1qo6 n MET 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1qo6 n GLN 17 N -2.89 -3.99 -3.47 0.03 6.02 -1.26 -5.01 117.38 106.81 1qo6 n GLN 17 Ca -0.35 3.04 -0.03 0.00 -0.01 0.00 0.00 57.00 59.65 1qo6 n GLN 17 Cb 1.12 -3.70 0.02 0.00 1.02 0.00 0.00 30.24 28.69 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 -1.89 -1.39 -3.95 1.08 2.14 -0.70 -5.00 117.44 107.72 1qo6 n TRP 18 Ca 0.00 -1.16 -0.34 0.00 2.07 0.00 0.00 57.50 58.07 1qo6 n TRP 18 Cb 0.26 0.57 -0.14 0.00 -0.81 0.00 0.00 31.31 31.19 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 3.75 0.29 5.67 2.01 -1.26 -1.85 118.68 127.30 1qo6 s LEU 19 Ca 0.18 -1.30 -0.16 0.00 0.01 0.00 0.00 54.13 52.86 1qo6 s LEU 19 Cb -0.03 -1.67 -0.09 0.00 0.01 0.00 0.00 46.19 44.42 1qo6 s LEU 19 CO 0.06 -0.24 0.73 -0.75 1.01 0.00 0.00 176.35 177.16 1qo6 s LYS 20 N 1.21 4.08 -0.02 1.70 2.47 0.55 -4.89 119.74 124.84 1qo6 s LYS 20 Ca -0.06 0.73 -0.00 0.00 -1.56 0.00 0.00 55.97 55.07 1qo6 s LYS 20 Cb -0.20 -2.57 0.02 0.00 -1.46 0.00 0.00 37.83 33.62 1qo6 s LYS 20 CO -0.02 0.23 0.03 0.95 0.16 0.00 0.00 175.35 176.70 1qo6 s THR 21 N -1.84 -0.05 -1.26 3.43 -4.23 -1.26 -0.40 115.64 110.04 1qo6 s THR 21 Ca 0.51 0.17 0.27 0.00 -1.18 0.00 0.00 61.69 61.45 1qo6 s THR 21 Cb -0.12 -0.08 0.22 0.00 1.34 0.00 0.00 72.50 73.86 1qo6 s THR 21 CO 0.18 0.07 1.69 0.00 -0.54 0.00 0.00 174.62 176.02 1qo6 n GLN 22 N 3.93 0.28 0.00 3.99 1.13 -1.23 -4.91 117.38 120.57 1qo6 n GLN 22 Ca -0.24 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 1qo6 n GLN 22 Cb 0.52 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 1.42 2.01 0.00 1.08 0.00 -1.26 -4.84 105.19 103.60 1qo6 n GLY 23 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.60 -3.00 1.61 3.02 -1.26 -5.12 115.26 112.11 1qo6 n ASN 24 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1qo6 n ASN 24 Cb 0.00 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.73 1.39 -4.19 3.52 4.76 -1.26 -5.16 118.16 115.49 1qo6 n LYS 25 Ca 0.00 -1.30 -0.24 0.00 -2.87 0.00 0.00 58.31 53.90 1qo6 n LYS 25 Cb 0.19 0.25 -0.07 0.00 -1.84 0.00 0.00 35.03 33.56 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qo6 s GLN 26 N -2.73 2.23 -0.30 1.97 -0.21 -1.26 -3.55 119.66 115.80 1qo6 s GLN 26 Ca 0.05 -1.70 -0.12 0.00 0.02 0.00 0.00 55.36 53.61 1qo6 s GLN 26 Cb -0.00 -2.04 0.16 0.00 1.00 0.00 0.00 33.01 32.13 1qo6 s GLN 26 CO 0.03 0.06 0.90 1.41 -2.12 0.00 0.00 175.29 175.57 1qo6 s MET 27 N -3.82 0.35 -0.43 2.91 1.75 0.47 -1.28 119.30 119.26 1qo6 s MET 27 Ca 0.38 0.82 -0.29 0.00 -1.25 0.00 0.00 55.69 55.35 1qo6 s MET 27 Cb 0.00 0.48 0.03 0.00 2.84 0.00 0.00 34.83 38.18 1qo6 s MET 27 CO 0.21 -0.20 1.10 -1.17 -0.65 0.00 0.00 175.02 174.31 1qo6 s LEU 28 N 2.66 3.76 0.13 4.11 2.96 -0.90 0.20 118.68 131.60 1qo6 s LEU 28 Ca 0.00 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.55 1qo6 s LEU 28 Cb -0.09 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1qo6 s LEU 28 CO -0.17 -1.12 0.20 0.00 -1.32 0.00 0.00 176.35 173.94 1qo6 s THR 30 N -1.65 -0.00 -0.50 0.00 2.01 0.37 -1.73 115.64 114.14 1qo6 s THR 30 Ca 0.33 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 1qo6 s THR 30 Cb -0.11 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.48 1qo6 s THR 30 CO 0.26 0.00 0.48 0.00 -0.69 0.00 0.00 174.62 174.67 1qo6 n LEU 32 N 5.49 0.00 0.00 0.00 -0.00 -1.20 -2.21 117.00 119.08 1qo6 n LEU 32 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 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 0.51 0.00 -0.07 0.61 -0.00 0.00 0.00 177.39 178.43 1qo6 n GLY 33 N 3.58 0.00 0.22 1.47 0.00 -1.26 -4.56 105.19 104.64 1qo6 n GLY 33 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.52 0.00 1.61 -1.07 -1.99 -3.44 115.58 111.21 1qo6 h ASN 34 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 56.30 56.14 1qo6 h ASN 34 Cb 0.15 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1qo6 h ASN 34 CO 0.00 0.88 0.00 0.61 0.07 0.00 0.00 177.43 178.99 1qo6 n GLY 35 N -0.03 -0.63 2.78 9.14 0.00 -1.26 -5.07 105.19 110.12 1qo6 n GLY 35 Ca -0.02 0.63 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 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 2.27 -0.24 0.07 1.61 1.01 -1.26 -3.24 120.40 120.63 1qo6 s VAL 36 Ca 0.00 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1qo6 s VAL 36 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1qo6 s VAL 36 CO 0.00 0.03 -0.03 -0.55 0.00 0.00 0.00 175.10 174.55 1qo6 s SER 37 N 2.27 4.84 0.15 3.32 0.15 0.17 -4.89 113.70 119.71 1qo6 s SER 37 Ca 0.04 -0.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 1qo6 s SER 37 Cb -0.13 -1.12 -0.02 0.00 -1.71 0.00 0.00 66.02 63.04 1qo6 s SER 37 CO -0.07 0.20 0.19 0.00 1.20 0.00 0.00 173.24 174.76 1qo6 s GLN 39 N -4.00 2.54 0.05 0.00 1.11 0.51 -4.91 119.66 114.97 1qo6 s GLN 39 Ca 0.19 -1.53 -0.34 0.00 0.01 0.00 0.00 55.36 53.70 1qo6 s GLN 39 Cb 0.05 -3.79 -0.13 0.00 -1.01 0.00 0.00 33.01 28.14 1qo6 s GLN 39 CO 0.00 -1.00 1.74 -0.85 0.01 0.00 0.00 175.29 175.19 1qo6 n GLU 40 N 4.89 2.25 0.00 2.91 0.28 -1.26 -2.12 120.64 127.60 1qo6 n GLU 40 Ca -0.09 0.82 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 1qo6 n GLU 40 Cb 0.42 -2.64 0.00 0.00 1.43 0.00 0.00 31.44 30.66 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 4.31 0.00 -2.95 3.84 -1.04 -0.40 -4.86 114.28 113.19 1qo6 n THR 41 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1qo6 n THR 41 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 -1.40 -3.62 2.41 0.00 -1.13 -4.22 120.51 112.56 1qo6 n ALA 42 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1qo6 n ALA 42 Cb 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 1.94 0.00 -4.14 0.00 0.24 -1.26 -4.80 118.33 110.30 1qo6 n VAL 43 Ca 0.00 -0.89 -0.17 0.00 -2.04 0.00 0.00 64.34 61.24 1qo6 n VAL 43 Cb 0.20 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 32.92 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1qo6 n THR 44 N -0.28 0.00 0.06 3.34 -2.24 -1.26 -5.01 114.28 108.90 1qo6 n THR 44 Ca 0.01 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.75 1qo6 n THR 44 Cb 0.23 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n GLN 45 N -0.61 0.00 -1.48 -0.78 1.13 -1.26 -5.14 117.38 109.24 1qo6 n GLN 45 Ca 0.03 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.22 1qo6 n GLN 45 Cb 0.61 -0.26 -0.07 0.00 0.11 0.00 0.00 30.24 30.63 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 -3.24 -1.46 -3.49 5.09 -2.24 -1.17 -4.93 114.28 102.84 1qo6 n THR 46 Ca 0.00 1.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.86 1qo6 n THR 46 Cb 0.09 -1.68 -0.04 0.00 -2.10 0.00 0.00 70.33 66.59 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 -4.67 -0.81 0.00 4.78 1.13 -1.26 -4.84 117.35 111.69 1qo6 s TYR 47 Ca 0.00 1.42 0.00 0.00 -1.41 0.00 0.00 57.07 57.08 1qo6 s TYR 47 Cb 0.00 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 1qo6 s TYR 47 CO 0.00 -0.40 0.00 0.41 -2.51 0.00 0.00 175.55 173.05 1qo6 n GLY 48 N 4.88 0.61 7.00 5.49 0.00 -1.26 -4.42 105.19 117.49 1qo6 n GLY 48 Ca -0.11 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 1.57 0.00 -0.02 0.00 -1.26 0.52 105.19 105.99 1qo6 n GLY 49 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 11.52 0.38 -2.68 1.61 5.15 0.06 -4.76 115.26 126.53 1qo6 n ASN 50 Ca 0.00 -0.69 -0.06 0.00 -0.60 0.00 0.00 54.58 53.23 1qo6 n ASN 50 Cb 0.00 0.38 0.04 0.00 -0.53 0.00 0.00 39.78 39.67 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 -0.38 2.08 -4.30 1.20 7.64 -0.61 -4.52 113.62 114.73 1qo6 n SER 51 Ca 0.00 -2.47 -0.38 0.00 1.01 0.00 0.00 58.87 57.03 1qo6 n SER 51 Cb 0.03 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 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 -0.48 -2.69 -2.38 6.43 5.15 -0.18 0.11 115.26 121.22 1qo6 n ASN 52 Ca 0.13 -1.06 -0.20 0.00 -0.60 0.00 0.00 54.58 52.85 1qo6 n ASN 52 Cb 0.82 -2.25 -0.00 0.00 -0.53 0.00 0.00 39.78 37.81 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 -1.22 -0.47 3.68 8.20 0.00 0.18 -3.98 105.19 111.58 1qo6 n GLY 53 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.09 0.96 0.65 1.61 0.41 0.31 -4.47 118.70 113.08 1qo6 s GLU 54 Ca 0.04 0.97 -0.18 0.00 -0.41 0.00 0.00 54.97 55.39 1qo6 s GLU 54 Cb -0.02 -1.76 -0.01 0.00 -1.78 0.00 0.00 34.13 30.56 1qo6 s GLU 54 CO 0.05 -2.48 1.28 -1.25 -0.49 0.00 0.00 175.26 172.37 1qo6 s PRO 55 N -4.81 2.52 0.00 0.39 0.04 -1.26 -4.80 135.00 127.07 1qo6 s PRO 55 Ca 0.65 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1qo6 s PRO 55 Cb -0.20 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1qo6 s PRO 55 CO 0.58 -1.61 0.00 0.00 0.04 0.00 0.00 177.00 176.01 1qo6 n VAL 57 N -1.41 0.00 -3.19 0.00 3.14 0.84 -4.61 118.33 113.09 1qo6 n VAL 57 Ca 0.00 -1.50 -0.19 0.00 -2.96 0.00 0.00 64.34 59.69 1qo6 n VAL 57 Cb 0.00 1.23 0.01 0.00 -1.06 0.00 0.00 33.84 34.01 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 -2.77 3.77 0.22 6.55 -0.00 -1.26 -4.12 118.68 121.07 1qo6 s LEU 58 Ca 0.22 -0.17 -0.30 0.00 -0.00 0.00 0.00 54.13 53.88 1qo6 s LEU 58 Cb 0.35 -2.79 -0.09 0.00 -0.00 0.00 0.00 46.19 43.65 1qo6 s LEU 58 CO -0.07 -0.64 1.35 -2.84 -0.00 0.00 0.00 176.35 174.16 1qo6 s PRO 59 N -4.34 4.35 0.51 1.48 0.02 -1.26 -5.02 135.00 130.75 1qo6 s PRO 59 Ca 0.50 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.69 1qo6 s PRO 59 Cb -0.10 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.29 1qo6 s PRO 59 CO 0.33 -0.31 0.22 1.97 -0.33 0.00 0.00 177.00 178.88 1qo6 n PHE 60 N 2.46 0.18 -4.79 6.54 1.16 -0.96 -4.89 117.46 117.16 1qo6 n PHE 60 Ca 0.06 -2.32 -0.27 0.00 -1.87 0.00 0.00 57.45 53.05 1qo6 n PHE 60 Cb 0.42 -0.38 -0.17 0.00 -1.61 0.00 0.00 39.48 37.74 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 -2.69 1.43 -0.11 1.97 2.01 -1.26 -2.17 115.64 114.82 1qo6 s THR 61 Ca 0.16 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 1qo6 s THR 61 Cb -0.01 -1.27 0.05 0.00 0.01 0.00 0.00 72.50 71.28 1qo6 s THR 61 CO 0.10 0.42 0.23 -0.47 -0.69 0.00 0.00 174.62 174.22 1qo6 s TYR 62 N 0.53 -0.33 0.00 4.92 5.04 -0.88 -4.83 117.35 121.80 1qo6 s TYR 62 Ca -0.15 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 1qo6 s TYR 62 Cb -0.16 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.13 1qo6 s TYR 62 CO 0.05 -0.27 0.00 0.09 -1.34 0.00 0.00 175.55 174.08 1qo6 n ASN 63 N 4.71 -0.84 0.00 4.32 3.02 -1.26 -2.38 115.26 122.84 1qo6 n ASN 63 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1qo6 n ASN 63 Cb 0.51 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 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 -1.85 1.99 0.00 7.41 0.00 -1.26 -5.09 105.19 106.38 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 -0.54 2.24 -3.98 1.61 1.85 -1.00 -5.08 116.66 111.77 1qo6 n ARG 65 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qo6 s THR 66 N 1.52 0.13 -0.02 8.89 2.01 -1.26 -2.07 115.64 124.83 1qo6 s THR 66 Ca 0.00 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1qo6 s THR 66 Cb 0.00 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.99 1qo6 s THR 66 CO 0.00 -0.58 0.00 -0.36 -0.69 0.00 0.00 174.62 173.00 1qo6 s PHE 67 N -1.96 0.24 -1.72 4.92 0.40 -0.92 -4.95 117.98 113.98 1qo6 s PHE 67 Ca -0.11 0.02 0.30 0.00 -0.60 0.00 0.00 56.93 56.54 1qo6 s PHE 67 Cb -0.06 -0.33 1.42 0.00 0.51 0.00 0.00 43.02 44.55 1qo6 s PHE 67 CO -0.02 -0.10 1.97 0.66 0.70 0.00 0.00 175.22 178.42 1qo6 n TYR 68 N 3.97 0.00 -3.19 0.36 4.02 -1.26 -2.25 117.16 118.82 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 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.97 0.00 -4.43 7.72 7.64 -1.26 -4.71 113.62 117.61 1qo6 n SER 69 Ca 0.17 -0.90 -0.34 0.00 1.01 0.00 0.00 58.87 58.80 1qo6 n SER 69 Cb 0.24 0.00 0.10 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 n THR 71 N -3.12 0.00 -2.32 0.00 5.66 0.29 -4.89 114.28 109.89 1qo6 n THR 71 Ca 0.08 -0.65 0.03 0.00 -3.05 0.00 0.00 64.05 60.46 1qo6 n THR 71 Cb 0.52 0.64 0.01 0.00 -1.55 0.00 0.00 70.33 69.96 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 -0.35 0.00 0.08 1.09 -2.24 -1.26 -0.41 114.28 111.19 1qo6 n THR 72 Ca -0.06 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1qo6 n THR 72 Cb 0.38 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.65 0.10 -2.22 -0.78 5.08 -1.97 -3.37 114.58 112.07 1qo6 h GLU 73 Ca -0.15 -0.15 -0.60 0.00 -1.00 0.00 0.00 59.36 57.46 1qo6 h GLU 73 Cb 1.72 0.05 -0.42 0.00 0.50 0.00 0.00 28.75 30.61 1qo6 h GLU 73 CO 0.06 1.03 -0.62 0.41 -1.00 0.00 0.00 179.01 178.90 1qo6 n GLY 74 N 1.28 5.06 3.30 -3.84 0.00 -1.26 -5.04 105.19 104.69 1qo6 n GLY 74 Ca -0.03 -2.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.12 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 -2.81 0.94 -0.05 1.61 1.70 -1.26 -5.02 118.95 114.06 1qo6 s ARG 75 Ca 0.43 -0.52 0.18 0.00 -0.47 0.00 0.00 55.73 55.35 1qo6 s ARG 75 Cb 0.20 0.41 0.34 0.00 -0.57 0.00 0.00 34.95 35.33 1qo6 s ARG 75 CO -0.06 -0.33 1.15 1.04 -1.08 0.00 0.00 175.30 176.02 1qo6 n GLN 76 N 0.28 0.38 -0.00 3.89 6.02 -1.26 -4.85 117.38 121.83 1qo6 n GLN 76 Ca -0.18 -2.11 -0.03 0.00 -0.01 0.00 0.00 57.00 54.68 1qo6 n GLN 76 Cb 0.61 -0.49 -0.01 0.00 1.02 0.00 0.00 30.24 31.37 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 -0.01 0.46 0.00 1.08 -0.08 -1.26 -5.06 116.55 111.67 1qo6 n ASP 77 Ca 0.08 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1qo6 n ASP 77 Cb 0.95 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 44.25 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 2.92 0.89 3.19 0.27 0.00 -1.26 -5.13 105.19 106.06 1qo6 n GLY 78 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.45 2.75 0.26 1.61 3.76 -1.26 -5.09 115.29 115.87 1qo6 s HIS 79 Ca 0.00 -1.34 -0.27 0.00 -0.15 0.00 0.00 55.06 53.30 1qo6 s HIS 79 Cb 0.00 -1.88 -0.16 0.00 1.11 0.00 0.00 32.58 31.65 1qo6 s HIS 79 CO 0.00 -0.64 0.66 1.28 -0.85 0.00 0.00 174.74 175.19 1qo6 n LEU 80 N 4.29 -0.23 -4.29 0.89 4.32 -1.26 -4.70 117.00 116.01 1qo6 n LEU 80 Ca -0.20 1.11 -0.15 0.00 -0.02 0.00 0.00 56.01 56.74 1qo6 n LEU 80 Cb 0.51 -1.07 -0.10 0.00 -1.62 0.00 0.00 43.42 41.14 1qo6 n LEU 80 CO 0.27 -2.54 -0.30 -1.66 -1.22 0.00 0.00 177.39 171.95 1qo6 s TRP 81 N -1.11 1.42 0.29 -1.77 1.48 0.45 0.55 118.94 120.25 1qo6 s TRP 81 Ca 0.62 -1.07 -0.11 0.00 -1.06 0.00 0.00 56.10 54.48 1qo6 s TRP 81 Cb -0.81 -0.82 0.01 0.00 -1.16 0.00 0.00 33.47 30.69 1qo6 s TRP 81 CO 0.58 -0.23 0.53 0.00 -4.06 0.00 0.00 176.95 173.77 1qo6 s SER 83 N -3.08 5.88 0.06 0.00 0.15 -1.26 -0.14 113.70 115.31 1qo6 s SER 83 Ca 0.23 0.22 0.22 0.00 0.70 0.00 0.00 55.95 57.32 1qo6 s SER 83 Cb -0.01 -1.95 -0.15 0.00 -1.71 0.00 0.00 66.02 62.20 1qo6 s SER 83 CO 0.12 0.26 0.79 0.35 1.20 0.00 0.00 173.24 175.96 1qo6 n THR 84 N 2.95 0.22 -4.97 6.45 -2.24 -0.69 0.29 114.28 116.29 1qo6 n THR 84 Ca -0.18 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 1qo6 n THR 84 Cb 0.53 -0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.59 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 -3.38 1.64 0.44 4.28 2.01 -1.26 -4.47 115.64 114.90 1qo6 s THR 85 Ca -0.02 -0.82 0.34 0.00 0.31 0.00 0.00 61.69 61.49 1qo6 s THR 85 Cb 0.13 -1.41 0.51 0.00 0.01 0.00 0.00 72.50 71.75 1qo6 s THR 85 CO 0.85 0.47 1.51 -1.54 -0.69 0.00 0.00 174.62 175.21 1qo6 n SER 86 N 3.18 0.18 -4.15 3.53 3.41 -1.26 -2.72 113.62 115.79 1qo6 n SER 86 Ca -0.18 1.30 -0.39 0.00 -0.26 0.00 0.00 58.87 59.34 1qo6 n SER 86 Cb 0.53 -0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 1qo6 n SER 86 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1qo6 s ASN 87 N -4.23 5.53 0.06 4.04 3.84 -1.26 -4.79 114.94 118.13 1qo6 s ASN 87 Ca -0.07 -2.59 0.04 0.00 0.21 0.00 0.00 52.86 50.45 1qo6 s ASN 87 Cb 0.29 -1.92 -0.24 0.00 -0.55 0.00 0.00 41.25 38.83 1qo6 s ASN 87 CO 0.80 -0.47 1.08 0.22 -2.79 0.00 0.00 177.10 175.94 1qo6 h TYR 88 N 7.47 0.16 0.00 0.43 3.20 -1.85 -1.11 116.97 125.27 1qo6 h TYR 88 Ca -0.04 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1qo6 h TYR 88 Cb 0.99 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1qo6 h TYR 88 CO 0.72 1.11 0.00 0.39 -1.64 0.00 0.00 178.16 178.75 1qo6 n GLU 89 N -3.35 0.42 -0.00 1.82 -0.58 -1.26 -0.37 120.64 117.32 1qo6 n GLU 89 Ca -0.07 0.06 -0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1qo6 n GLU 89 Cb 0.99 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.36 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 -1.15 0.00 0.11 3.49 -0.06 -1.22 -4.80 117.38 113.75 1qo6 n GLN 90 Ca 0.11 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.88 1qo6 n GLN 90 Cb 0.11 -0.60 -0.14 0.00 -4.06 0.00 0.00 30.24 25.55 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 0.88 -1.90 1.69 3.32 -1.25 -3.48 116.42 115.67 1qo6 h ASP 91 Ca -0.00 -0.85 -0.29 0.00 0.02 0.00 0.00 57.03 55.91 1qo6 h ASP 91 Cb 1.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1qo6 h ASP 91 CO -0.00 1.65 -0.36 0.00 -1.72 0.00 0.00 179.24 178.81 1qo6 n GLN 92 N -3.77 -1.12 -3.26 3.56 1.13 0.50 -4.94 117.38 109.48 1qo6 n GLN 92 Ca -0.15 0.72 -0.44 0.00 -1.94 0.00 0.00 57.00 55.19 1qo6 n GLN 92 Cb 1.03 -5.00 0.00 0.00 0.11 0.00 0.00 30.24 26.38 1qo6 n GLN 92 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1qo6 n LYS 93 N -2.39 3.79 -3.41 -1.09 4.01 -1.26 -4.92 118.16 112.89 1qo6 n LYS 93 Ca -0.17 -4.49 -0.26 0.00 -0.51 0.00 0.00 58.31 52.89 1qo6 n LYS 93 Cb 0.61 -2.54 -0.02 0.00 -0.51 0.00 0.00 35.03 32.57 1qo6 n LYS 93 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 1qo6 s TYR 94 N -1.69 3.49 0.03 2.13 -0.85 -1.26 -1.70 117.35 117.51 1qo6 s TYR 94 Ca 0.31 0.42 0.00 0.00 -0.52 0.00 0.00 57.07 57.28 1qo6 s TYR 94 Cb -0.06 -1.94 0.00 0.00 0.38 0.00 0.00 41.96 40.34 1qo6 s TYR 94 CO -0.03 0.17 0.00 0.43 -1.52 0.00 0.00 175.55 174.60 1qo6 n SER 95 N -1.41 2.07 -2.92 -0.18 7.64 0.80 -0.76 113.62 118.86 1qo6 n SER 95 Ca -0.04 -1.15 -0.10 0.00 1.01 0.00 0.00 58.87 58.59 1qo6 n SER 95 Cb 0.55 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.10 -0.41 -2.73 1.43 3.72 -1.26 -2.09 117.46 116.03 1qo6 n PHE 96 Ca -0.01 -0.80 -0.04 0.00 -0.05 0.00 0.00 57.45 56.54 1qo6 n PHE 96 Cb 0.04 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.47 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 s THR 98 N 0.89 1.93 0.00 0.00 -1.32 -1.26 -3.91 115.64 111.98 1qo6 s THR 98 Ca 0.28 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1qo6 s THR 98 Cb 0.05 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 1qo6 s THR 98 CO -0.07 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.67 1qo6 n ASP 99 N -3.92 0.00 -0.74 8.08 2.03 -1.26 -4.84 116.55 115.91 1qo6 n ASP 99 Ca 0.09 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.50 1qo6 n ASP 99 Cb 0.59 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.15 -1.95 0.89 -0.67 8.25 -1.25 -5.23 115.22 114.11 1qo6 n HIS 100 Ca 0.00 1.05 0.07 0.00 -0.26 0.00 0.00 57.72 58.58 1qo6 n HIS 100 Cb 0.00 -1.78 0.42 0.00 1.12 0.00 0.00 29.99 29.76 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61