#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 1.16 3.51 2.72 0.00 -1.26 -5.14 105.19 106.18 1qo6 n GLY 2 Ca 0.00 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.32 -4.13 1.61 8.25 -1.26 -4.38 115.22 114.99 1qo6 n HIS 3 Ca 0.00 0.42 -0.28 0.00 -0.26 0.00 0.00 57.72 57.60 1qo6 n HIS 3 Cb 0.00 -1.99 -0.07 0.00 1.12 0.00 0.00 29.99 29.05 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 -1.60 0.07 -0.22 0.00 1.01 -1.26 0.21 120.40 118.61 1qo6 s VAL 5 Ca 0.28 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1qo6 s VAL 5 Cb -0.10 -0.18 0.11 0.00 0.00 0.00 0.00 36.38 36.21 1qo6 s VAL 5 CO 0.20 -0.31 0.40 0.28 0.00 0.00 0.00 175.10 175.67 1qo6 s THR 6 N -0.93 -0.63 0.00 3.92 -1.32 -1.17 -4.86 115.64 110.65 1qo6 s THR 6 Ca -0.10 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1qo6 s THR 6 Cb -0.06 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1qo6 s THR 6 CO -0.01 -0.02 0.00 -0.67 -2.21 0.00 0.00 174.62 171.71 1qo6 n ASP 7 N 5.38 -0.72 -3.40 8.08 2.03 -1.26 -3.82 116.55 122.83 1qo6 n ASP 7 Ca -0.06 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.05 1qo6 n ASP 7 Cb 0.50 -0.12 0.08 0.00 -0.72 0.00 0.00 41.12 40.86 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1qo6 n SER 8 N 0.00 -4.33 0.00 1.67 2.88 -1.26 -4.82 113.62 107.76 1qo6 n SER 8 Ca 0.00 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1qo6 n SER 8 Cb 0.00 -4.89 0.00 0.00 -0.75 0.00 0.00 64.21 58.57 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 -1.58 -0.05 3.35 0.46 0.00 -1.26 -5.06 105.19 101.05 1qo6 n GLY 9 Ca -0.12 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.37 4.87 -0.81 1.61 1.01 -1.25 -5.03 120.40 119.42 1qo6 s VAL 10 Ca 0.00 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 1qo6 s VAL 10 Cb 0.00 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.54 1qo6 s VAL 10 CO 0.00 -0.53 1.15 -0.69 0.00 0.00 0.00 175.10 175.03 1qo6 s VAL 11 N 1.57 4.26 0.84 2.92 1.01 -1.26 -3.04 120.40 126.69 1qo6 s VAL 11 Ca 0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1qo6 s VAL 11 Cb -0.23 -4.82 0.19 0.00 0.00 0.00 0.00 36.38 31.52 1qo6 s VAL 11 CO 0.05 -1.63 1.10 -1.22 0.00 0.00 0.00 175.10 173.40 1qo6 n TYR 12 N 7.88 -3.98 -3.84 5.22 4.01 0.56 -4.83 117.16 122.18 1qo6 n TYR 12 Ca 0.12 -0.97 -0.12 0.00 -0.16 0.00 0.00 57.90 56.77 1qo6 n TYR 12 Cb 0.48 -0.87 -0.10 0.00 -0.31 0.00 0.00 39.34 38.54 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 -4.99 -0.06 -0.84 7.72 0.01 -1.26 -0.26 113.70 114.02 1qo6 s SER 13 Ca 0.63 -0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.63 1qo6 s SER 13 Cb -0.02 0.27 -0.19 0.00 0.21 0.00 0.00 66.02 66.29 1qo6 s SER 13 CO 0.44 -0.34 2.11 0.55 0.41 0.00 0.00 173.24 176.42 1qo6 n VAL 14 N 1.67 0.00 0.00 3.43 3.14 -1.25 0.03 118.33 125.34 1qo6 n VAL 14 Ca -0.21 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1qo6 n VAL 14 Cb 0.56 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.78 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 6.15 0.80 0.21 7.55 0.00 0.45 -4.86 105.19 115.49 1qo6 n GLY 15 Ca 0.42 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.58 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qo6 h MET 16 N 0.00 0.00 -4.88 1.61 2.07 -0.62 -3.48 114.93 109.62 1qo6 h MET 16 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1qo6 h MET 16 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1qo6 h MET 16 CO 0.00 0.00 -0.26 1.04 1.07 0.00 0.00 176.91 178.76 1qo6 n GLN 17 N -2.76 -0.73 -1.57 1.72 6.02 -1.26 -5.00 117.38 113.79 1qo6 n GLN 17 Ca 0.02 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1qo6 n GLN 17 Cb 0.32 -0.67 0.00 0.00 1.02 0.00 0.00 30.24 30.91 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 1.82 0.00 -3.67 1.08 2.14 -0.19 -5.03 117.44 113.59 1qo6 n TRP 18 Ca 0.00 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.33 1qo6 n TRP 18 Cb 0.13 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.46 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 0.42 0.23 5.67 2.96 -1.26 -1.84 118.68 124.86 1qo6 s LEU 19 Ca 0.00 -0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 53.35 1qo6 s LEU 19 Cb 0.00 -0.29 -0.09 0.00 0.50 0.00 0.00 46.19 46.32 1qo6 s LEU 19 CO 0.00 -0.28 0.83 -0.75 -1.32 0.00 0.00 176.35 174.83 1qo6 s LYS 20 N 2.09 4.55 -0.04 1.98 2.47 0.15 -4.84 119.74 126.11 1qo6 s LYS 20 Ca 0.03 1.19 -0.11 0.00 -1.56 0.00 0.00 55.97 55.53 1qo6 s LYS 20 Cb -0.14 -3.07 0.02 0.00 -1.46 0.00 0.00 37.83 33.18 1qo6 s LYS 20 CO -0.06 0.45 0.25 0.99 0.16 0.00 0.00 175.35 177.14 1qo6 s THR 21 N -1.35 0.05 -0.08 3.43 2.01 -1.26 -1.58 115.64 116.86 1qo6 s THR 21 Ca 0.42 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.09 1qo6 s THR 21 Cb -0.21 -0.48 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 1qo6 s THR 21 CO 0.25 -0.21 0.14 0.00 -0.69 0.00 0.00 174.62 174.12 1qo6 n GLN 22 N 1.88 1.84 0.00 4.92 1.13 -1.25 -5.01 117.38 120.89 1qo6 n GLN 22 Ca -0.19 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 1qo6 n GLN 22 Cb 0.57 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.92 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 1.86 2.35 0.10 1.08 0.00 -1.26 -4.88 105.19 104.43 1qo6 n GLY 23 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.81 -3.66 1.61 3.02 -1.26 -5.04 115.26 110.73 1qo6 n ASN 24 Ca 0.00 -0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.34 1qo6 n ASN 24 Cb 0.00 0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 39.78 1qo6 n ASN 24 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1qo6 s LYS 25 N -2.45 1.64 0.05 3.52 -2.85 -1.26 -5.17 119.74 113.22 1qo6 s LYS 25 Ca -0.13 -1.94 0.08 0.00 -1.00 0.00 0.00 55.97 52.98 1qo6 s LYS 25 Cb 0.06 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 1qo6 s LYS 25 CO 0.71 -0.56 -0.23 -0.65 0.10 0.00 0.00 175.35 174.72 1qo6 s GLN 26 N -3.66 1.52 -0.12 1.78 1.11 -1.26 -3.78 119.66 115.26 1qo6 s GLN 26 Ca 0.39 -1.05 -0.23 0.00 0.01 0.00 0.00 55.36 54.48 1qo6 s GLN 26 Cb 0.04 -1.69 0.05 0.00 -1.01 0.00 0.00 33.01 30.40 1qo6 s GLN 26 CO 0.22 0.43 0.57 1.41 0.01 0.00 0.00 175.29 177.93 1qo6 s MET 27 N -1.31 0.82 -0.17 2.91 1.75 -0.61 0.19 119.30 122.87 1qo6 s MET 27 Ca 0.09 0.41 -0.04 0.00 -1.25 0.00 0.00 55.69 54.90 1qo6 s MET 27 Cb -0.09 0.39 -0.03 0.00 2.84 0.00 0.00 34.83 37.94 1qo6 s MET 27 CO 0.02 -0.19 -0.02 -1.17 -0.65 0.00 0.00 175.02 173.01 1qo6 s LEU 28 N -0.56 3.29 -0.13 4.11 2.96 -0.97 0.33 118.68 127.71 1qo6 s LEU 28 Ca -0.07 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1qo6 s LEU 28 Cb -0.03 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1qo6 s LEU 28 CO 0.05 0.14 -0.09 0.00 -1.32 0.00 0.00 176.35 175.13 1qo6 s THR 30 N 0.14 0.82 -0.85 0.00 2.01 -0.84 -1.02 115.64 115.90 1qo6 s THR 30 Ca -0.04 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.57 1qo6 s THR 30 Cb -0.14 -0.88 0.09 0.00 0.01 0.00 0.00 72.50 71.58 1qo6 s THR 30 CO 0.04 0.33 1.14 0.00 -0.69 0.00 0.00 174.62 175.44 1qo6 n LEU 32 N 7.52 0.00 0.06 0.00 -0.00 -0.33 0.17 117.00 124.42 1qo6 n LEU 32 Ca 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.05 1qo6 n LEU 32 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1qo6 n LEU 32 CO 0.59 -0.21 0.26 1.23 -0.00 0.00 0.00 177.39 179.25 1qo6 h GLY 33 N 0.00 0.43 2.00 1.47 0.00 -1.95 -3.23 103.07 101.79 1qo6 h GLY 33 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 46.48 1qo6 h GLY 33 CO 0.00 0.61 -0.76 3.45 0.00 0.00 0.00 176.54 179.84 1qo6 h ASN 34 N 0.24 0.00 0.00 0.19 -1.07 -2.00 -3.49 115.58 109.45 1qo6 h ASN 34 Ca -0.06 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.31 1qo6 h ASN 34 Cb 1.46 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 1qo6 h ASN 34 CO 0.14 0.76 0.00 0.61 0.07 0.00 0.00 177.43 179.01 1qo6 n GLY 35 N 0.65 -0.81 2.88 9.14 0.00 -1.22 -4.90 105.19 110.93 1qo6 n GLY 35 Ca -0.01 0.49 -0.16 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.31 -0.23 1.61 1.01 -1.26 -1.19 120.40 120.03 1qo6 s VAL 36 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1qo6 s VAL 36 Cb 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1qo6 s VAL 36 CO 0.00 0.11 -0.13 -0.55 0.00 0.00 0.00 175.10 174.53 1qo6 s SER 37 N 2.33 4.01 0.57 3.32 0.15 0.13 -4.92 113.70 119.30 1qo6 s SER 37 Ca 0.03 -1.09 0.06 0.00 0.70 0.00 0.00 55.95 55.65 1qo6 s SER 37 Cb -0.12 -1.54 0.06 0.00 -1.71 0.00 0.00 66.02 62.70 1qo6 s SER 37 CO -0.07 -0.12 0.52 0.00 1.20 0.00 0.00 173.24 174.76 1qo6 s GLN 39 N -4.41 0.30 0.33 0.00 -0.21 0.22 -4.94 119.66 110.95 1qo6 s GLN 39 Ca 0.40 -0.42 -0.29 0.00 0.02 0.00 0.00 55.36 55.07 1qo6 s GLN 39 Cb -0.03 -0.91 -0.11 0.00 1.00 0.00 0.00 33.01 32.96 1qo6 s GLN 39 CO 0.25 -1.05 1.46 -1.21 -2.12 0.00 0.00 175.29 172.62 1qo6 s GLU 40 N 2.12 4.19 0.00 2.91 2.02 -1.26 -2.29 118.70 126.38 1qo6 s GLU 40 Ca 0.10 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.55 1qo6 s GLU 40 Cb -0.15 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1qo6 s GLU 40 CO -0.31 -0.46 0.00 2.41 0.02 0.00 0.00 175.26 176.93 1qo6 n THR 41 N 1.08 0.00 -1.29 3.63 -1.04 0.50 -4.55 114.28 112.62 1qo6 n THR 41 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1qo6 n THR 41 Cb 0.40 0.00 0.00 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 -2.57 -3.83 2.41 0.00 -1.10 -4.75 120.51 110.68 1qo6 n ALA 42 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1qo6 n ALA 42 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1qo6 n ALA 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qo6 s VAL 43 N -0.68 0.00 0.00 0.00 -7.23 -1.26 -4.96 120.40 106.27 1qo6 s VAL 43 Ca 0.00 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1qo6 s VAL 43 Cb 0.00 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1qo6 s VAL 43 CO 0.00 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.86 1qo6 n THR 44 N -0.54 0.00 -1.85 5.32 5.66 -1.26 -5.02 114.28 116.59 1qo6 n THR 44 Ca -0.06 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.65 1qo6 n THR 44 Cb 0.60 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.50 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 -2.00 1.49 -0.17 1.09 -1.52 -1.26 -5.07 119.66 112.22 1qo6 s GLN 45 Ca 0.00 0.00 -0.13 0.00 -1.95 0.00 0.00 55.36 53.28 1qo6 s GLN 45 Cb 0.00 -1.91 0.05 0.00 -0.22 0.00 0.00 33.01 30.93 1qo6 s GLN 45 CO 0.00 -1.90 0.43 0.95 -0.25 0.00 0.00 175.29 174.51 1qo6 s THR 46 N -3.61 -0.01 0.27 -0.19 -4.23 -1.26 -4.50 115.64 102.11 1qo6 s THR 46 Ca 0.65 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 61.14 1qo6 s THR 46 Cb -0.10 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 73.12 1qo6 s THR 46 CO 0.51 0.01 0.38 -0.72 -0.54 0.00 0.00 174.62 174.26 1qo6 s TYR 47 N 0.66 0.84 0.00 3.99 -0.85 -1.17 -4.36 117.35 116.45 1qo6 s TYR 47 Ca -0.03 -1.11 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 1qo6 s TYR 47 Cb -0.05 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.17 1qo6 s TYR 47 CO -0.04 -0.94 0.00 0.41 -1.52 0.00 0.00 175.55 173.45 1qo6 n GLY 48 N -0.42 1.12 7.00 5.49 0.00 -1.20 -1.21 105.19 115.97 1qo6 n GLY 48 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.36 0.04 -0.02 0.00 -1.26 0.17 105.19 102.77 1qo6 n GLY 49 Ca 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.55 0.30 -0.00 1.61 5.15 0.18 -3.13 115.26 118.82 1qo6 n ASN 50 Ca 0.00 0.54 0.04 0.00 -0.60 0.00 0.00 54.58 54.56 1qo6 n ASN 50 Cb 0.00 -0.62 -0.06 0.00 -0.53 0.00 0.00 39.78 38.58 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 -1.79 0.97 -0.28 1.20 7.64 0.20 -4.72 113.62 116.82 1qo6 n SER 51 Ca 0.06 -0.55 -0.04 0.00 1.01 0.00 0.00 58.87 59.35 1qo6 n SER 51 Cb 0.34 1.09 -0.02 0.00 -1.01 0.00 0.00 64.21 64.61 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 -1.35 -4.97 0.00 6.43 2.85 0.46 -3.88 115.26 114.81 1qo6 n ASN 52 Ca 0.01 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1qo6 n ASN 52 Cb 0.16 -2.79 0.00 0.00 1.24 0.00 0.00 39.78 38.39 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 53 N -0.51 0.66 3.56 8.20 0.00 -0.82 -3.23 105.19 113.05 1qo6 n GLY 53 Ca -0.04 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 1qo6 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qo6 s GLU 54 N -0.96 1.86 0.04 1.61 0.41 -1.25 -4.85 118.70 115.55 1qo6 s GLU 54 Ca 0.00 -1.99 -0.35 0.00 -0.41 0.00 0.00 54.97 52.22 1qo6 s GLU 54 Cb 0.00 -1.66 -0.14 0.00 -1.78 0.00 0.00 34.13 30.55 1qo6 s GLU 54 CO 0.00 0.07 1.61 -2.30 -0.49 0.00 0.00 175.26 174.15 1qo6 n PRO 55 N -0.84 1.80 -0.11 0.39 -0.02 -1.26 -4.92 135.00 130.03 1qo6 n PRO 55 Ca -0.05 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 1qo6 n PRO 55 Cb 0.65 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1qo6 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qo6 n VAL 57 N -2.44 0.14 -3.16 0.00 3.14 0.17 -4.73 118.33 111.46 1qo6 n VAL 57 Ca 0.01 -2.48 -0.21 0.00 -2.96 0.00 0.00 64.34 58.70 1qo6 n VAL 57 Cb 0.05 0.82 0.01 0.00 -1.06 0.00 0.00 33.84 33.65 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 -2.70 3.75 0.02 6.55 -0.00 -1.26 -3.95 118.68 121.07 1qo6 s LEU 58 Ca 0.27 -0.00 -0.30 0.00 -0.00 0.00 0.00 54.13 54.09 1qo6 s LEU 58 Cb 0.36 -2.92 -0.06 0.00 -0.00 0.00 0.00 46.19 43.57 1qo6 s LEU 58 CO -0.05 -0.64 1.49 -2.16 -0.00 0.00 0.00 176.35 174.99 1qo6 s PRO 59 N -4.40 4.25 0.43 1.48 0.04 -1.26 -5.03 135.00 130.52 1qo6 s PRO 59 Ca 0.48 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.69 1qo6 s PRO 59 Cb -0.10 -3.61 0.01 0.00 0.04 0.00 0.00 34.50 30.84 1qo6 s PRO 59 CO 0.35 -0.64 0.51 -0.59 0.04 0.00 0.00 177.00 176.66 1qo6 s PHE 60 N 2.58 2.62 -0.10 0.56 -0.12 -0.98 -4.86 117.98 117.68 1qo6 s PHE 60 Ca 0.67 -0.48 0.04 0.00 -0.05 0.00 0.00 56.93 57.12 1qo6 s PHE 60 Cb -0.34 -2.27 -0.00 0.00 -0.63 0.00 0.00 43.02 39.78 1qo6 s PHE 60 CO 0.28 -0.37 -0.23 0.99 -0.05 0.00 0.00 175.22 175.84 1qo6 s THR 61 N -2.44 2.11 -0.15 -4.49 2.01 -1.26 -1.96 115.64 109.48 1qo6 s THR 61 Ca 0.52 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1qo6 s THR 61 Cb -0.07 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.67 1qo6 s THR 61 CO 0.31 0.56 -0.11 -0.47 -0.69 0.00 0.00 174.62 174.22 1qo6 s TYR 62 N 0.32 1.93 -0.76 4.92 5.04 -0.64 -4.77 117.35 123.39 1qo6 s TYR 62 Ca -0.18 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.35 1qo6 s TYR 62 Cb -0.18 -1.46 0.00 0.00 0.35 0.00 0.00 41.96 40.68 1qo6 s TYR 62 CO 0.09 -0.62 0.00 0.27 -1.34 0.00 0.00 175.55 173.94 1qo6 n ASN 63 N 4.83 -2.72 0.00 4.32 6.94 -1.26 -1.60 115.26 125.77 1qo6 n ASN 63 Ca -0.15 0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1qo6 n ASN 63 Cb 0.49 -2.41 0.00 0.00 -2.36 0.00 0.00 39.78 35.50 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qo6 n GLY 64 N 0.01 2.67 0.00 4.83 0.00 -1.26 -5.12 105.19 106.32 1qo6 n GLY 64 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.83 -4.07 1.61 1.85 -0.63 -5.04 116.66 111.21 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 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 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 0.25 0.28 -0.03 8.89 2.01 -1.26 -1.61 115.64 124.17 1qo6 s THR 66 Ca 0.00 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.45 1qo6 s THR 66 Cb 0.00 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.39 1qo6 s THR 66 CO 0.00 -0.80 0.08 -0.36 -0.69 0.00 0.00 174.62 172.85 1qo6 s PHE 67 N -3.02 -0.08 -0.38 4.92 0.40 -0.83 -4.96 117.98 114.04 1qo6 s PHE 67 Ca 0.00 0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.62 1qo6 s PHE 67 Cb 0.01 0.01 0.66 0.00 0.51 0.00 0.00 43.02 44.21 1qo6 s PHE 67 CO -0.06 -0.05 1.77 0.66 0.70 0.00 0.00 175.22 178.24 1qo6 n TYR 68 N 3.16 2.51 -3.89 0.36 4.01 -1.26 -2.31 117.16 119.73 1qo6 n TYR 68 Ca -0.14 -1.38 0.00 0.00 -0.16 0.00 0.00 57.90 56.23 1qo6 n TYR 68 Cb 0.59 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1qo6 n SER 69 N -0.48 0.00 -4.44 7.72 7.64 -1.26 -4.69 113.62 118.11 1qo6 n SER 69 Ca 0.45 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.98 1qo6 n SER 69 Cb 1.42 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.70 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 -2.04 0.00 -0.61 0.00 -1.32 0.63 -4.82 115.64 107.49 1qo6 s THR 71 Ca 0.63 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.17 1qo6 s THR 71 Cb -0.31 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 69.93 1qo6 s THR 71 CO 0.61 0.00 0.71 0.35 -2.21 0.00 0.00 174.62 174.08 1qo6 n THR 72 N -0.15 1.94 -0.41 5.08 -2.24 -1.26 0.49 114.28 117.73 1qo6 n THR 72 Ca -0.08 -5.05 0.04 0.00 -2.27 0.00 0.00 64.05 56.69 1qo6 n THR 72 Cb 0.61 -2.08 0.05 0.00 -2.10 0.00 0.00 70.33 66.81 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qo6 n GLU 73 N 0.98 2.34 0.00 -0.78 -0.58 -1.26 -4.86 120.64 116.47 1qo6 n GLU 73 Ca 0.28 -1.92 0.00 0.00 -0.42 0.00 0.00 57.16 55.11 1qo6 n GLU 73 Cb 0.42 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1qo6 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qo6 n GLY 74 N -0.86 -1.96 2.54 0.62 0.00 -1.26 -5.10 105.19 99.17 1qo6 n GLY 74 Ca 0.06 0.96 -0.20 0.00 0.00 0.00 0.00 46.02 46.84 1qo6 n GLY 74 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qo6 n ARG 75 N 0.00 0.71 -0.79 1.61 0.00 -1.26 -5.06 116.66 111.87 1qo6 n ARG 75 Ca 0.00 -2.61 -0.03 0.00 -0.00 0.00 0.00 57.85 55.21 1qo6 n ARG 75 Cb 0.00 1.34 0.20 0.00 -0.00 0.00 0.00 32.46 34.00 1qo6 n ARG 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qo6 n GLN 76 N -0.71 1.82 0.00 2.89 10.64 -1.26 -4.87 117.38 125.89 1qo6 n GLN 76 Ca -0.05 -3.20 0.00 0.00 -1.83 0.00 0.00 57.00 51.91 1qo6 n GLN 76 Cb 0.46 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1qo6 n ASP 77 N -1.12 0.00 0.00 2.61 -0.08 -1.26 -5.06 116.55 111.63 1qo6 n ASP 77 Ca 0.32 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1qo6 n ASP 77 Cb 1.00 0.08 0.00 0.00 2.34 0.00 0.00 41.12 44.54 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 -0.98 0.00 3.64 0.27 0.00 -1.26 -5.16 105.19 101.70 1qo6 n GLY 78 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.15 -0.07 1.61 3.76 -1.26 -5.05 115.29 117.43 1qo6 s HIS 79 Ca 0.00 0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 54.71 1qo6 s HIS 79 Cb 0.00 -1.86 -0.07 0.00 1.11 0.00 0.00 32.58 31.76 1qo6 s HIS 79 CO 0.00 0.34 2.09 -0.51 -0.85 0.00 0.00 174.74 175.80 1qo6 s LEU 80 N -0.50 4.00 0.11 0.89 1.02 -1.26 -4.63 118.68 118.31 1qo6 s LEU 80 Ca 0.09 2.34 0.06 0.00 0.02 0.00 0.00 54.13 56.64 1qo6 s LEU 80 Cb -0.12 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.53 1qo6 s LEU 80 CO 0.02 -1.46 -0.04 -1.66 0.02 0.00 0.00 176.35 173.23 1qo6 s TRP 81 N 6.18 2.86 0.24 0.29 1.48 0.18 0.25 118.94 130.42 1qo6 s TRP 81 Ca 0.94 -0.10 0.03 0.00 -1.06 0.00 0.00 56.10 55.92 1qo6 s TRP 81 Cb -0.39 -1.47 -0.05 0.00 -1.16 0.00 0.00 33.47 30.40 1qo6 s TRP 81 CO 0.39 0.46 0.01 0.00 -4.06 0.00 0.00 176.95 173.75 1qo6 s SER 83 N -3.31 5.84 0.00 0.00 1.04 -1.26 -0.29 113.70 115.72 1qo6 s SER 83 Ca 0.30 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1qo6 s SER 83 Cb 0.06 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1qo6 s SER 83 CO 0.10 0.26 0.00 0.35 0.98 0.00 0.00 173.24 174.92 1qo6 n THR 84 N 1.02 0.00 -4.92 2.02 -2.24 -0.96 0.45 114.28 109.66 1qo6 n THR 84 Ca -0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1qo6 n THR 84 Cb 0.52 0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.81 2.91 0.35 4.28 2.01 -1.21 -4.29 115.64 117.89 1qo6 s THR 85 Ca 0.00 -0.76 0.13 0.00 0.31 0.00 0.00 61.69 61.37 1qo6 s THR 85 Cb 0.00 -2.15 0.34 0.00 0.01 0.00 0.00 72.50 70.70 1qo6 s THR 85 CO 0.00 0.57 1.73 0.77 -0.69 0.00 0.00 174.62 177.01 1qo6 h SER 86 N 5.76 0.58 -2.79 3.53 4.64 -1.94 -2.84 113.55 120.49 1qo6 h SER 86 Ca -0.40 0.12 -0.68 0.00 -0.47 0.00 0.00 61.79 60.37 1qo6 h SER 86 Cb 1.17 0.04 -0.37 0.00 -0.31 0.00 0.00 62.40 62.92 1qo6 h SER 86 CO 0.51 0.07 -0.14 -3.20 -0.87 0.00 0.00 176.83 173.20 1qo6 n ASN 87 N -4.81 4.39 0.16 4.97 5.15 -1.26 -4.81 115.26 119.04 1qo6 n ASN 87 Ca 0.27 -3.32 0.13 0.00 -0.60 0.00 0.00 54.58 51.07 1qo6 n ASN 87 Cb 0.82 -0.93 0.46 0.00 -0.53 0.00 0.00 39.78 39.60 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 5.14 0.00 0.00 1.20 5.03 -1.82 0.05 116.97 126.57 1qo6 h TYR 88 Ca 0.18 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.49 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 0.78 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 178.01 1qo6 n GLU 89 N -2.48 0.02 0.00 1.82 -0.58 -1.26 -2.17 120.64 115.98 1qo6 n GLU 89 Ca 0.03 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1qo6 n GLU 89 Cb 0.34 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qo6 n GLN 90 N -1.56 2.05 -0.07 3.49 10.64 -1.06 -4.86 117.38 126.01 1qo6 n GLN 90 Ca 0.05 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 55.04 1qo6 n GLN 90 Cb 0.28 -0.83 -0.12 0.00 -0.86 0.00 0.00 30.24 28.71 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1qo6 h ASP 91 N 0.00 0.06 0.00 2.61 3.32 -1.10 -3.49 116.42 117.82 1qo6 h ASP 91 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1qo6 h ASP 91 Cb 0.66 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1qo6 h ASP 91 CO 0.00 1.31 0.00 1.67 -1.72 0.00 0.00 179.24 180.50 1qo6 n GLN 92 N -4.43 0.00 -2.83 3.56 -0.06 -0.92 -5.02 117.38 107.67 1qo6 n GLN 92 Ca -0.22 0.27 -0.43 0.00 -2.00 0.00 0.00 57.00 54.62 1qo6 n GLN 92 Cb 0.63 -2.28 -0.04 0.00 -4.06 0.00 0.00 30.24 24.49 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 -1.11 3.21 0.36 3.69 -0.14 -1.26 -4.68 119.74 119.81 1qo6 s LYS 93 Ca 0.00 -0.55 0.06 0.00 -1.36 0.00 0.00 55.97 54.12 1qo6 s LYS 93 Cb 0.00 -4.15 -0.03 0.00 -1.68 0.00 0.00 37.83 31.98 1qo6 s LYS 93 CO 0.00 -1.69 0.22 1.52 -0.76 0.00 0.00 175.35 174.64 1qo6 s TYR 94 N 4.12 1.76 0.02 3.18 1.13 -1.26 -2.25 117.35 124.05 1qo6 s TYR 94 Ca 0.26 -1.53 0.01 0.00 -1.41 0.00 0.00 57.07 54.40 1qo6 s TYR 94 Cb -0.14 -0.88 -0.00 0.00 -1.10 0.00 0.00 41.96 39.83 1qo6 s TYR 94 CO 0.14 -0.66 0.02 -1.13 -2.51 0.00 0.00 175.55 171.42 1qo6 n SER 95 N -1.47 -0.06 -3.47 -0.18 3.41 0.61 0.49 113.62 112.95 1qo6 n SER 95 Ca 0.02 -1.16 -0.20 0.00 -0.26 0.00 0.00 58.87 57.27 1qo6 n SER 95 Cb 0.63 0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qo6 n PHE 96 N -0.05 0.42 -3.73 7.33 3.72 -0.35 -1.03 117.46 123.77 1qo6 n PHE 96 Ca 0.01 -1.79 -0.12 0.00 -0.05 0.00 0.00 57.45 55.50 1qo6 n PHE 96 Cb 0.05 -0.11 -0.12 0.00 -0.94 0.00 0.00 39.48 38.36 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 3.82 0.00 0.00 0.00 -2.24 -1.26 -3.99 114.28 110.61 1qo6 n THR 98 Ca -0.21 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1qo6 n THR 98 Cb 0.55 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.30 0.00 0.00 3.42 2.03 -1.26 -4.85 116.55 114.59 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 -1.65 -0.67 8.25 -1.26 -5.17 115.22 114.72 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qo6 n HIS 100 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61