#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 -0.76 2.67 2.72 0.00 -1.26 -4.69 105.19 103.87 1qo6 n GLY 2 Ca 0.00 0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.94 0.56 -3.97 1.61 8.25 -1.26 -3.58 115.22 115.89 1qo6 n HIS 3 Ca 0.00 0.81 -0.35 0.00 -0.26 0.00 0.00 57.72 57.92 1qo6 n HIS 3 Cb 0.00 -1.60 -0.14 0.00 1.12 0.00 0.00 29.99 29.38 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 1.34 0.12 0.00 0.00 0.11 -1.26 0.29 120.40 121.00 1qo6 s VAL 5 Ca 0.04 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1qo6 s VAL 5 Cb -0.14 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1qo6 s VAL 5 CO -0.01 -0.53 0.00 0.35 -3.33 0.00 0.00 175.10 171.58 1qo6 n THR 6 N 1.43 0.00 1.61 5.04 -2.24 -1.23 -5.01 114.28 113.87 1qo6 n THR 6 Ca -0.23 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.70 1qo6 n THR 6 Cb 0.56 -0.16 0.80 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.37 0.07 0.12 3.42 2.03 -1.26 -3.06 116.55 117.49 1qo6 n ASP 7 Ca 0.00 -0.47 0.12 0.00 0.52 0.00 0.00 54.79 54.96 1qo6 n ASP 7 Cb 0.00 -0.17 0.06 0.00 -0.72 0.00 0.00 41.12 40.29 1qo6 n ASP 7 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1qo6 h SER 8 N 0.09 0.00 0.00 1.67 0.02 -2.04 -3.48 113.55 109.81 1qo6 h SER 8 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1qo6 h SER 8 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1qo6 h SER 8 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1qo6 n GLY 9 N 1.19 2.56 3.43 -3.77 0.00 -1.17 -5.02 105.19 102.40 1qo6 n GLY 9 Ca 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 1qo6 n GLY 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qo6 n VAL 10 N -0.57 0.05 -2.76 1.61 0.31 -1.26 -4.78 118.33 110.93 1qo6 n VAL 10 Ca 0.00 -0.21 -0.44 0.00 -0.01 0.00 0.00 64.34 63.68 1qo6 n VAL 10 Cb 0.00 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1qo6 n VAL 10 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1qo6 n VAL 11 N 7.26 4.22 -1.18 2.52 0.31 -1.26 -3.52 118.33 126.68 1qo6 n VAL 11 Ca 0.50 -4.56 -0.25 0.00 -0.01 0.00 0.00 64.34 60.03 1qo6 n VAL 11 Cb 0.16 -2.44 0.20 0.00 -0.91 0.00 0.00 33.84 30.86 1qo6 n VAL 11 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qo6 n TYR 12 N 5.58 -3.82 -4.16 3.52 4.01 0.84 -4.82 117.16 118.31 1qo6 n TYR 12 Ca 0.39 -0.87 -0.10 0.00 -0.16 0.00 0.00 57.90 57.15 1qo6 n TYR 12 Cb 0.42 -0.93 -0.10 0.00 -0.31 0.00 0.00 39.34 38.41 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 -4.27 1.07 -0.88 7.72 0.01 -1.26 -0.65 113.70 115.44 1qo6 s SER 13 Ca 0.61 -0.99 -0.12 0.00 1.31 0.00 0.00 55.95 56.76 1qo6 s SER 13 Cb -0.05 0.10 -0.28 0.00 0.21 0.00 0.00 66.02 66.01 1qo6 s SER 13 CO 0.45 -0.47 2.11 1.33 0.41 0.00 0.00 173.24 177.07 1qo6 n VAL 14 N 0.01 0.00 0.00 3.43 0.24 -1.24 0.12 118.33 120.90 1qo6 n VAL 14 Ca -0.13 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1qo6 n VAL 14 Cb 0.61 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1qo6 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qo6 n GLY 15 N 5.67 1.33 3.47 7.63 0.00 0.29 -4.94 105.19 118.64 1qo6 n GLY 15 Ca 0.58 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qo6 s MET 16 N 0.00 3.59 0.00 1.61 1.00 0.33 -4.83 119.30 121.01 1qo6 s MET 16 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 55.69 54.08 1qo6 s MET 16 Cb 0.00 -5.01 0.00 0.00 0.00 0.00 0.00 34.83 29.82 1qo6 s MET 16 CO 0.00 -1.87 0.00 1.04 0.00 0.00 0.00 175.02 174.19 1qo6 n GLN 17 N 7.07 -0.35 -3.01 2.03 6.02 -1.26 -4.38 117.38 123.50 1qo6 n GLN 17 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1qo6 n GLN 17 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 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 -1.98 0.00 -4.41 1.08 2.14 0.13 -4.95 117.44 109.45 1qo6 n TRP 18 Ca 0.00 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.37 1qo6 n TRP 18 Cb 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.35 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 1.81 -0.05 5.67 2.96 -1.26 -1.89 118.68 125.92 1qo6 s LEU 19 Ca 0.00 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1qo6 s LEU 19 Cb 0.00 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 46.11 1qo6 s LEU 19 CO 0.00 0.07 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.16 1qo6 s LYS 20 N 0.16 2.45 0.36 1.98 2.36 0.63 -4.89 119.74 122.79 1qo6 s LYS 20 Ca -0.03 -0.79 0.09 0.00 -2.55 0.00 0.00 55.97 52.69 1qo6 s LYS 20 Cb -0.08 -2.27 -0.06 0.00 -1.05 0.00 0.00 37.83 34.37 1qo6 s LYS 20 CO 0.00 0.55 0.02 0.99 1.55 0.00 0.00 175.35 178.46 1qo6 s THR 21 N -0.56 2.42 -0.08 3.43 2.01 -1.26 0.16 115.64 121.76 1qo6 s THR 21 Ca 0.08 -1.98 0.17 0.00 0.31 0.00 0.00 61.69 60.26 1qo6 s THR 21 Cb -0.11 -2.83 0.34 0.00 0.01 0.00 0.00 72.50 69.91 1qo6 s THR 21 CO 0.01 -0.14 1.16 0.00 -0.69 0.00 0.00 174.62 174.95 1qo6 n GLN 22 N -0.97 0.63 -0.43 4.92 1.13 -1.22 -4.94 117.38 116.50 1qo6 n GLN 22 Ca -0.04 -2.31 0.00 0.00 -1.94 0.00 0.00 57.00 52.71 1qo6 n GLN 22 Cb 0.64 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 30.24 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 -0.29 0.81 0.33 1.08 0.00 -1.26 -4.55 105.19 101.31 1qo6 n GLY 23 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1qo6 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 24 N 0.00 0.00 -1.86 1.61 2.85 -1.26 -5.15 115.26 111.44 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qo6 n ASN 24 Cb 0.00 0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.10 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1qo6 n LYS 25 N -1.42 1.09 -3.94 1.20 4.01 -1.26 -5.14 118.16 112.69 1qo6 n LYS 25 Ca 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.63 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 1.04 -1.11 0.00 0.00 177.40 177.33 1qo6 n GLN 26 N -0.54 0.36 -3.15 1.97 6.02 -1.26 -3.38 117.38 117.40 1qo6 n GLN 26 Ca 0.00 -2.90 0.06 0.00 -0.01 0.00 0.00 57.00 54.15 1qo6 n GLN 26 Cb 0.00 2.39 -0.02 0.00 1.02 0.00 0.00 30.24 33.63 1qo6 n GLN 26 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1qo6 s MET 27 N -3.17 0.01 -0.36 -1.09 1.75 0.42 -1.04 119.30 115.82 1qo6 s MET 27 Ca 0.35 0.02 -0.28 0.00 -1.25 0.00 0.00 55.69 54.54 1qo6 s MET 27 Cb 0.02 0.01 0.02 0.00 2.84 0.00 0.00 34.83 37.72 1qo6 s MET 27 CO 0.25 -0.02 1.02 -1.17 -0.65 0.00 0.00 175.02 174.45 1qo6 s LEU 28 N 3.00 3.92 -0.14 4.11 2.96 -0.87 0.23 118.68 131.88 1qo6 s LEU 28 Ca -0.06 0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1qo6 s LEU 28 Cb -0.07 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1qo6 s LEU 28 CO -0.08 -0.92 0.04 0.00 -1.32 0.00 0.00 176.35 174.07 1qo6 s THR 30 N -0.20 0.53 -0.35 0.00 2.01 0.20 0.20 115.64 118.02 1qo6 s THR 30 Ca 0.07 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 1qo6 s THR 30 Cb -0.12 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 71.95 1qo6 s THR 30 CO 0.02 0.17 0.14 0.00 -0.69 0.00 0.00 174.62 174.26 1qo6 n LEU 32 N 4.87 0.00 0.00 0.00 -0.00 -0.77 0.11 117.00 121.21 1qo6 n LEU 32 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1qo6 n LEU 32 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1qo6 n LEU 32 CO 0.33 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.33 1qo6 n GLY 33 N 3.21 0.10 0.04 1.47 0.00 -1.26 -3.60 105.19 105.15 1qo6 n GLY 33 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1qo6 n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qo6 n ASN 34 N -1.19 0.59 -0.73 1.61 6.94 -1.26 -4.33 115.26 116.88 1qo6 n ASN 34 Ca 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.45 1qo6 n ASN 34 Cb 0.00 0.86 0.00 0.00 -2.36 0.00 0.00 39.78 38.28 1qo6 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qo6 n GLY 35 N 1.33 0.79 3.02 4.83 0.00 -1.26 -5.05 105.19 108.86 1qo6 n GLY 35 Ca 0.01 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.18 1.78 -0.08 1.61 1.01 -1.26 -1.85 120.40 119.44 1qo6 s VAL 36 Ca 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1qo6 s VAL 36 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1qo6 s VAL 36 CO 0.00 0.18 0.00 -0.55 0.00 0.00 0.00 175.10 174.73 1qo6 s SER 37 N 1.33 5.23 0.21 3.32 0.15 0.14 -4.86 113.70 119.21 1qo6 s SER 37 Ca -0.02 0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.79 1qo6 s SER 37 Cb -0.16 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 1qo6 s SER 37 CO -0.08 0.37 0.00 0.00 1.20 0.00 0.00 173.24 174.73 1qo6 s GLN 39 N -3.89 2.70 -0.76 0.00 -0.21 0.36 -4.92 119.66 112.95 1qo6 s GLN 39 Ca 0.27 -1.11 -0.27 0.00 0.02 0.00 0.00 55.36 54.26 1qo6 s GLN 39 Cb 0.06 -3.38 -0.16 0.00 1.00 0.00 0.00 33.01 30.53 1qo6 s GLN 39 CO 0.07 -0.60 2.53 -1.91 -2.12 0.00 0.00 175.29 173.26 1qo6 n GLU 40 N 4.79 0.49 0.00 2.91 2.13 -1.26 -2.06 120.64 127.64 1qo6 n GLU 40 Ca -0.13 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1qo6 n GLU 40 Cb 0.45 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.71 1qo6 n GLU 40 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1qo6 n THR 41 N 7.68 0.00 0.00 6.31 -1.04 -0.20 -4.65 114.28 122.38 1qo6 n THR 41 Ca 0.52 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1qo6 n THR 41 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.00 -0.27 2.41 0.00 -1.18 -4.09 120.51 117.38 1qo6 n ALA 42 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1qo6 n ALA 42 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1qo6 n VAL 43 N 0.00 0.00 -3.24 0.00 3.14 -1.26 -5.04 118.33 111.93 1qo6 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1qo6 n VAL 43 Cb 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1qo6 n THR 44 N -0.81 0.00 -4.58 1.55 5.66 -1.26 -4.99 114.28 109.85 1qo6 n THR 44 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1qo6 n THR 44 Cb 0.06 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.76 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qo6 s GLN 45 N -0.47 2.03 -0.12 1.09 -1.52 -1.26 -5.08 119.66 114.33 1qo6 s GLN 45 Ca 0.00 -2.26 -0.30 0.00 -1.95 0.00 0.00 55.36 50.85 1qo6 s GLN 45 Cb 0.00 -0.81 0.09 0.00 -0.22 0.00 0.00 33.01 32.07 1qo6 s GLN 45 CO 0.00 -0.48 0.82 0.95 -0.25 0.00 0.00 175.29 176.33 1qo6 s THR 46 N -3.11 0.00 -0.29 -0.19 -4.23 -1.24 -4.22 115.64 102.36 1qo6 s THR 46 Ca 0.18 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.45 1qo6 s THR 46 Cb 0.02 -1.00 0.16 0.00 1.34 0.00 0.00 72.50 73.01 1qo6 s THR 46 CO 0.12 0.00 1.22 -0.72 -0.54 0.00 0.00 174.62 174.70 1qo6 s TYR 47 N -0.96 -0.28 0.00 3.99 -0.85 -1.26 -4.82 117.35 113.18 1qo6 s TYR 47 Ca -0.06 0.67 0.00 0.00 -0.52 0.00 0.00 57.07 57.16 1qo6 s TYR 47 Cb -0.01 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.73 1qo6 s TYR 47 CO 0.05 -0.13 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 1qo6 n GLY 48 N 2.06 0.50 7.00 5.49 0.00 -1.26 -3.66 105.19 115.32 1qo6 n GLY 48 Ca -0.12 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 3.25 0.00 -0.02 0.00 -1.26 -1.34 105.19 105.82 1qo6 n GLY 49 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 3.61 0.84 -0.08 1.61 4.13 0.29 -4.73 115.26 120.93 1qo6 n ASN 50 Ca 0.00 -1.37 0.00 0.00 1.68 0.00 0.00 54.58 54.90 1qo6 n ASN 50 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1qo6 n SER 51 N -0.18 0.44 -2.83 6.41 2.88 -0.54 -4.34 113.62 115.46 1qo6 n SER 51 Ca 0.00 -1.41 -0.21 0.00 -1.33 0.00 0.00 58.87 55.92 1qo6 n SER 51 Cb 0.32 -0.05 0.04 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.15 -5.80 0.00 -3.46 5.15 -0.45 -4.45 115.26 106.10 1qo6 n ASN 52 Ca 0.01 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1qo6 n ASN 52 Cb 0.49 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 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 -1.51 1.14 1.08 8.20 0.00 -1.21 -4.65 105.19 108.23 1qo6 n GLY 53 Ca -0.09 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.08 1qo6 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qo6 n GLU 54 N 1.86 -2.49 -2.36 1.61 -0.58 -1.26 -4.56 120.64 112.87 1qo6 n GLU 54 Ca 0.00 2.03 -0.43 0.00 -0.42 0.00 0.00 57.16 58.34 1qo6 n GLU 54 Cb 0.00 -2.92 -0.02 0.00 -0.57 0.00 0.00 31.44 27.93 1qo6 n GLU 54 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qo6 s PRO 55 N -3.89 4.25 0.86 3.49 0.04 -1.26 -4.90 135.00 133.58 1qo6 s PRO 55 Ca 0.00 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1qo6 s PRO 55 Cb 0.00 -3.75 0.11 0.00 0.04 0.00 0.00 34.50 30.90 1qo6 s PRO 55 CO 0.00 -0.67 1.13 0.00 0.04 0.00 0.00 177.00 177.49 1qo6 n VAL 57 N -3.93 3.49 -4.10 0.00 3.14 0.68 -4.86 118.33 112.74 1qo6 n VAL 57 Ca 0.11 -5.47 -0.22 0.00 -2.96 0.00 0.00 64.34 55.79 1qo6 n VAL 57 Cb 0.52 -2.11 -0.06 0.00 -1.06 0.00 0.00 33.84 31.13 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 -2.50 3.45 0.03 6.55 -0.00 -1.26 -3.65 118.68 121.31 1qo6 s LEU 58 Ca 0.36 -0.55 -0.30 0.00 -0.00 0.00 0.00 54.13 53.63 1qo6 s LEU 58 Cb 0.09 -1.98 -0.06 0.00 -0.00 0.00 0.00 46.19 44.24 1qo6 s LEU 58 CO 0.02 -0.16 1.31 -2.16 -0.00 0.00 0.00 176.35 175.36 1qo6 s PRO 59 N -3.83 4.34 0.57 1.48 0.04 -1.26 -4.96 135.00 131.39 1qo6 s PRO 59 Ca 0.35 1.89 0.08 0.00 0.04 0.00 0.00 61.00 63.36 1qo6 s PRO 59 Cb -0.06 -3.43 0.07 0.00 0.04 0.00 0.00 34.50 31.12 1qo6 s PRO 59 CO 0.23 -0.43 0.61 -0.59 0.04 0.00 0.00 177.00 176.86 1qo6 s PHE 60 N 1.70 1.42 -0.12 0.56 -0.71 -0.89 -4.85 117.98 115.09 1qo6 s PHE 60 Ca 0.61 -0.81 0.01 0.00 -1.04 0.00 0.00 56.93 55.70 1qo6 s PHE 60 Cb -0.31 -2.05 0.02 0.00 -1.21 0.00 0.00 43.02 39.47 1qo6 s PHE 60 CO 0.27 -0.86 -0.13 0.99 -1.34 0.00 0.00 175.22 174.15 1qo6 s THR 61 N -2.74 1.41 -0.07 -4.49 2.01 -1.26 -1.91 115.64 108.59 1qo6 s THR 61 Ca 0.48 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 1qo6 s THR 61 Cb -0.04 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.19 1qo6 s THR 61 CO 0.30 0.43 0.16 -0.47 -0.69 0.00 0.00 174.62 174.35 1qo6 s TYR 62 N 1.22 -0.19 0.00 4.92 5.04 -0.83 -4.82 117.35 122.69 1qo6 s TYR 62 Ca -0.02 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1qo6 s TYR 62 Cb -0.14 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.14 1qo6 s TYR 62 CO -0.05 -0.15 0.00 -1.71 -1.34 0.00 0.00 175.55 172.30 1qo6 n ASN 63 N 3.88 -2.17 0.00 4.32 2.85 -1.26 -2.11 115.26 120.77 1qo6 n ASN 63 Ca -0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 1qo6 n ASN 63 Cb 0.54 -1.55 0.00 0.00 1.24 0.00 0.00 39.78 40.00 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 -1.56 0.44 0.00 8.20 0.00 -1.26 -5.08 105.19 105.94 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 -1.45 1.77 -3.93 1.61 1.85 -0.90 -5.11 116.66 110.52 1qo6 n ARG 65 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 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 0.71 0.09 -0.11 8.89 2.01 -1.26 -1.96 115.64 124.01 1qo6 s THR 66 Ca 0.00 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1qo6 s THR 66 Cb 0.00 -0.29 0.04 0.00 0.01 0.00 0.00 72.50 72.26 1qo6 s THR 66 CO 0.00 -0.39 0.06 -0.36 -0.69 0.00 0.00 174.62 173.24 1qo6 s PHE 67 N -1.23 0.28 -1.55 4.92 0.40 -0.80 -4.96 117.98 115.04 1qo6 s PHE 67 Ca -0.13 -0.11 0.25 0.00 -0.60 0.00 0.00 56.93 56.34 1qo6 s PHE 67 Cb -0.08 -0.65 1.30 0.00 0.51 0.00 0.00 43.02 44.10 1qo6 s PHE 67 CO -0.00 -0.36 1.83 0.66 0.70 0.00 0.00 175.22 178.05 1qo6 n TYR 68 N 5.25 0.00 -2.51 0.36 4.02 -1.26 -2.10 117.16 120.92 1qo6 n TYR 68 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1qo6 n TYR 68 Cb 0.49 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 -1.23 0.00 -4.40 7.72 2.88 -1.26 -4.40 113.62 112.93 1qo6 n SER 69 Ca 0.13 -0.30 -0.33 0.00 -1.33 0.00 0.00 58.87 57.05 1qo6 n SER 69 Cb 0.17 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.76 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 -2.38 0.00 -0.69 0.00 -1.32 0.17 -4.79 115.64 106.62 1qo6 s THR 71 Ca 0.57 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.10 1qo6 s THR 71 Cb -0.20 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.02 1qo6 s THR 71 CO 0.67 0.00 0.74 0.35 -2.21 0.00 0.00 174.62 174.17 1qo6 n THR 72 N 0.31 2.41 -0.09 5.08 -2.24 -1.26 0.11 114.28 118.60 1qo6 n THR 72 Ca -0.04 -5.18 -0.16 0.00 -2.27 0.00 0.00 64.05 56.39 1qo6 n THR 72 Cb 0.59 -2.13 -0.05 0.00 -2.10 0.00 0.00 70.33 66.63 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 1.19 0.48 -3.36 -0.78 -0.58 -1.26 -4.81 120.64 111.51 1qo6 n GLU 73 Ca 0.27 0.20 -0.30 0.00 -0.42 0.00 0.00 57.16 56.91 1qo6 n GLU 73 Cb 0.39 -1.32 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 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 1.63 4.85 3.13 0.62 0.00 -1.26 -5.04 105.19 109.13 1qo6 n GLY 74 Ca -0.29 -2.75 -0.15 0.00 0.00 0.00 0.00 46.02 42.84 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 -2.49 0.72 -0.66 1.61 3.03 -1.26 -5.05 118.95 114.84 1qo6 s ARG 75 Ca 0.37 -0.96 -0.01 0.00 2.03 0.00 0.00 55.73 57.17 1qo6 s ARG 75 Cb 0.12 -0.52 0.42 0.00 -1.03 0.00 0.00 34.95 33.94 1qo6 s ARG 75 CO 0.00 0.10 1.90 1.04 -1.13 0.00 0.00 175.30 177.21 1qo6 n GLN 76 N 1.08 2.84 0.00 3.89 6.02 -1.26 -4.67 117.38 125.28 1qo6 n GLN 76 Ca -0.20 -3.51 0.00 0.00 -0.01 0.00 0.00 57.00 53.28 1qo6 n GLN 76 Cb 0.56 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.53 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 -0.78 0.00 0.00 1.08 -0.08 -1.26 -5.08 116.55 110.44 1qo6 n ASP 77 Ca 0.57 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1qo6 n ASP 77 Cb 0.58 0.35 0.00 0.00 2.34 0.00 0.00 41.12 44.39 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 -1.34 0.00 3.29 0.27 0.00 -1.26 -5.15 105.19 101.00 1qo6 n GLY 78 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.90 0.08 1.61 3.76 -1.26 -5.06 115.29 117.32 1qo6 s HIS 79 Ca 0.00 -1.01 -0.35 0.00 -0.15 0.00 0.00 55.06 53.54 1qo6 s HIS 79 Cb 0.00 -2.02 -0.19 0.00 1.11 0.00 0.00 32.58 31.48 1qo6 s HIS 79 CO 0.00 -0.53 0.85 1.28 -0.85 0.00 0.00 174.74 175.48 1qo6 n LEU 80 N 4.53 -0.51 -3.86 0.89 4.32 -1.26 -4.62 117.00 116.49 1qo6 n LEU 80 Ca -0.19 1.15 -0.11 0.00 -0.02 0.00 0.00 56.01 56.84 1qo6 n LEU 80 Cb 0.51 -0.93 -0.09 0.00 -1.62 0.00 0.00 43.42 41.29 1qo6 n LEU 80 CO 0.29 -2.34 -0.13 -1.66 -1.22 0.00 0.00 177.39 172.32 1qo6 s TRP 81 N -0.40 0.06 0.15 -1.77 1.48 0.30 0.23 118.94 119.00 1qo6 s TRP 81 Ca 0.80 -0.24 -0.00 0.00 -1.06 0.00 0.00 56.10 55.60 1qo6 s TRP 81 Cb -1.13 -0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 31.09 1qo6 s TRP 81 CO 0.57 -0.37 0.05 0.00 -4.06 0.00 0.00 176.95 173.13 1qo6 s SER 83 N -3.10 6.36 -0.19 0.00 0.15 -1.26 -0.40 113.70 115.26 1qo6 s SER 83 Ca 0.25 1.71 0.08 0.00 0.70 0.00 0.00 55.95 58.69 1qo6 s SER 83 Cb 0.07 -2.53 -0.18 0.00 -1.71 0.00 0.00 66.02 61.68 1qo6 s SER 83 CO 0.03 -0.77 -0.07 0.35 1.20 0.00 0.00 173.24 173.99 1qo6 n THR 84 N -1.53 1.21 -4.54 6.45 -2.24 -0.94 0.25 114.28 112.94 1qo6 n THR 84 Ca 0.08 -0.60 -0.26 0.00 -2.27 0.00 0.00 64.05 61.00 1qo6 n THR 84 Cb 0.53 -0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 1qo6 n THR 84 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qo6 s THR 85 N -2.42 2.23 0.06 4.28 -1.32 -1.26 -3.60 115.64 113.61 1qo6 s THR 85 Ca -0.19 -2.15 -0.24 0.00 -1.21 0.00 0.00 61.69 57.89 1qo6 s THR 85 Cb 0.06 -2.72 -0.17 0.00 -1.51 0.00 0.00 72.50 68.17 1qo6 s THR 85 CO 0.60 -0.17 1.59 0.77 -2.21 0.00 0.00 174.62 175.20 1qo6 h SER 86 N 1.96 -0.05 -1.61 8.08 4.64 -1.95 -3.26 113.55 121.36 1qo6 h SER 86 Ca -0.42 -0.13 -0.76 0.00 -0.47 0.00 0.00 61.79 60.00 1qo6 h SER 86 Cb 1.25 0.01 -0.17 0.00 -0.31 0.00 0.00 62.40 63.18 1qo6 h SER 86 CO 0.72 0.10 1.88 -3.20 -0.87 0.00 0.00 176.83 175.46 1qo6 n ASN 87 N -5.05 6.17 0.25 4.97 4.05 -1.26 -4.68 115.26 119.71 1qo6 n ASN 87 Ca -0.08 -3.20 0.16 0.00 0.45 0.00 0.00 54.58 51.91 1qo6 n ASN 87 Cb 0.11 -1.40 0.58 0.00 1.23 0.00 0.00 39.78 40.30 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1qo6 h TYR 88 N 5.32 0.00 -0.38 1.20 5.03 -1.91 -0.35 116.97 125.88 1qo6 h TYR 88 Ca 0.45 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.70 1qo6 h TYR 88 Cb 0.53 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 1qo6 h TYR 88 CO 1.31 0.00 -0.03 0.93 -1.32 0.00 0.00 178.16 179.05 1qo6 h GLU 89 N 0.00 0.61 0.03 1.82 5.08 -1.90 0.25 114.58 120.47 1qo6 h GLU 89 Ca 0.00 -0.15 -0.39 0.00 -1.00 0.00 0.00 59.36 57.82 1qo6 h GLU 89 Cb 0.57 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1qo6 h GLU 89 CO 0.00 0.66 -2.30 0.00 -1.00 0.00 0.00 179.01 176.36 1qo6 n GLN 90 N -4.24 0.66 0.30 2.33 -0.00 -1.08 -4.59 117.38 110.76 1qo6 n GLN 90 Ca 0.02 0.22 -0.14 0.00 -0.00 0.00 0.00 57.00 57.10 1qo6 n GLN 90 Cb 0.28 -1.57 -0.07 0.00 -0.00 0.00 0.00 30.24 28.88 1qo6 n GLN 90 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1qo6 h ASP 91 N -0.23 -0.68 -0.87 2.61 1.82 -1.11 -3.48 116.42 114.47 1qo6 h ASP 91 Ca -0.55 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1qo6 h ASP 91 Cb 1.84 0.18 0.00 0.00 0.68 0.00 0.00 39.33 42.03 1qo6 h ASP 91 CO -0.12 -0.30 0.00 1.67 -1.61 0.00 0.00 179.24 178.88 1qo6 n GLN 92 N -5.32 0.00 -4.31 0.28 -0.06 0.89 -5.04 117.38 103.82 1qo6 n GLN 92 Ca -0.11 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.56 1qo6 n GLN 92 Cb 0.34 -2.42 -0.16 0.00 -4.06 0.00 0.00 30.24 23.93 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1qo6 s LYS 93 N -4.65 3.04 0.21 3.69 0.00 -1.26 -4.94 119.74 115.83 1qo6 s LYS 93 Ca 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 55.97 55.15 1qo6 s LYS 93 Cb 0.00 -2.56 -0.04 0.00 0.00 0.00 0.00 37.83 35.23 1qo6 s LYS 93 CO 0.00 -0.13 0.11 1.52 0.00 0.00 0.00 175.35 176.85 1qo6 s TYR 94 N 1.12 1.23 0.35 1.78 -0.85 -1.26 -2.20 117.35 117.51 1qo6 s TYR 94 Ca 0.01 -1.31 0.05 0.00 -0.52 0.00 0.00 57.07 55.29 1qo6 s TYR 94 Cb -0.14 -0.64 -0.07 0.00 0.38 0.00 0.00 41.96 41.49 1qo6 s TYR 94 CO -0.08 -0.54 0.05 -1.12 -1.52 0.00 0.00 175.55 172.33 1qo6 s SER 95 N -3.19 2.75 0.14 -0.18 0.01 0.47 0.10 113.70 113.81 1qo6 s SER 95 Ca 0.37 -1.37 0.02 0.00 1.31 0.00 0.00 55.95 56.28 1qo6 s SER 95 Cb 0.07 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.16 1qo6 s SER 95 CO 0.11 -0.57 0.18 0.49 0.41 0.00 0.00 173.24 173.87 1qo6 n PHE 96 N -0.76 -2.58 -2.81 2.43 3.72 -1.24 -0.67 117.46 115.56 1qo6 n PHE 96 Ca -0.03 -0.53 -0.06 0.00 -0.05 0.00 0.00 57.45 56.77 1qo6 n PHE 96 Cb 0.67 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 h THR 98 N 4.65 0.55 0.00 0.00 1.03 -1.84 -3.37 112.91 113.93 1qo6 h THR 98 Ca 0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 1qo6 h THR 98 Cb 1.08 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1qo6 h THR 98 CO 0.09 0.07 0.00 -0.67 -0.01 0.00 0.00 175.52 174.99 1qo6 n ASP 99 N -4.57 0.00 -0.60 0.00 -0.08 -1.26 -4.89 116.55 105.15 1qo6 n ASP 99 Ca 0.24 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.56 1qo6 n ASP 99 Cb 0.86 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.31 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1qo6 n HIS 100 N 0.00 -2.01 -1.43 -0.67 -0.00 -1.26 -5.02 115.22 104.83 1qo6 n HIS 100 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 1qo6 n HIS 100 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 29.99 29.44 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59