#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 3.37 2.43 2.98 0.00 -1.26 -4.95 105.19 107.75 1qo6 n GLY 2 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1qo6 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qo6 n HIS 3 N 0.00 -3.02 -3.79 1.61 -0.00 -1.26 -2.98 115.22 105.79 1qo6 n HIS 3 Ca 0.00 0.19 -0.17 0.00 -0.00 0.00 0.00 57.72 57.74 1qo6 n HIS 3 Cb 0.00 -1.22 -0.17 0.00 -0.00 0.00 0.00 29.99 28.60 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qo6 s VAL 5 N 1.33 0.96 0.00 0.00 0.11 -1.26 0.26 120.40 121.79 1qo6 s VAL 5 Ca -0.06 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 58.44 1qo6 s VAL 5 Cb -0.13 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1qo6 s VAL 5 CO -0.03 0.27 0.70 0.71 -3.33 0.00 0.00 175.10 173.43 1qo6 h THR 6 N 4.91 0.00 0.00 5.04 1.35 -1.88 -3.48 112.91 118.85 1qo6 h THR 6 Ca -0.33 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1qo6 h THR 6 Cb 1.17 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1qo6 h THR 6 CO 0.49 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.23 1qo6 n ASP 7 N -2.66 -0.47 -2.67 5.36 8.00 -1.26 -5.06 116.55 117.78 1qo6 n ASP 7 Ca -0.02 0.12 -0.04 0.00 0.71 0.00 0.00 54.79 55.56 1qo6 n ASP 7 Cb 0.07 0.74 0.07 0.00 -0.02 0.00 0.00 41.12 41.97 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qo6 n SER 8 N -2.65 -1.33 0.00 -2.24 2.88 -1.26 -5.01 113.62 104.01 1qo6 n SER 8 Ca 0.00 -1.65 0.00 0.00 -1.33 0.00 0.00 58.87 55.89 1qo6 n SER 8 Cb 0.00 0.72 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 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 1.70 0.64 3.12 0.46 0.00 -1.26 -5.10 105.19 104.75 1qo6 n GLY 9 Ca 0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.90 -1.16 1.61 1.01 -1.26 -5.03 120.40 118.47 1qo6 s VAL 10 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.12 1qo6 s VAL 10 Cb 0.00 -2.84 0.24 0.00 0.00 0.00 0.00 36.38 33.78 1qo6 s VAL 10 CO 0.00 -0.36 1.38 0.52 0.00 0.00 0.00 175.10 176.64 1qo6 n VAL 11 N 4.54 4.60 -0.25 2.92 0.31 -1.26 -2.36 118.33 126.83 1qo6 n VAL 11 Ca -0.07 -5.18 -0.27 0.00 -0.01 0.00 0.00 64.34 58.81 1qo6 n VAL 11 Cb 0.42 -2.43 0.26 0.00 -0.91 0.00 0.00 33.84 31.19 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 3.41 -3.64 -3.83 3.52 4.01 0.72 -4.84 117.16 116.51 1qo6 n TYR 12 Ca 0.30 -0.74 -0.12 0.00 -0.16 0.00 0.00 57.90 57.18 1qo6 n TYR 12 Cb 0.39 -1.12 -0.11 0.00 -0.31 0.00 0.00 39.34 38.19 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 -3.06 -0.09 -0.37 7.72 0.01 -1.25 -2.28 113.70 114.38 1qo6 s SER 13 Ca 0.60 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.90 1qo6 s SER 13 Cb -0.10 0.29 -0.13 0.00 0.21 0.00 0.00 66.02 66.30 1qo6 s SER 13 CO 0.50 -0.24 0.90 0.55 0.41 0.00 0.00 173.24 175.37 1qo6 n VAL 14 N 2.11 0.00 0.00 3.43 3.14 -1.16 0.26 118.33 126.12 1qo6 n VAL 14 Ca -0.18 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1qo6 n VAL 14 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 2.52 1.23 2.65 7.55 0.00 0.90 -4.98 105.19 115.07 1qo6 n GLY 15 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qo6 n MET 16 N -0.63 2.70 -0.98 1.61 0.00 0.74 -4.95 117.12 115.61 1qo6 n MET 16 Ca 0.00 -3.37 -0.38 0.00 -0.00 0.00 0.00 57.70 53.95 1qo6 n MET 16 Cb 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 33.22 31.00 1qo6 n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qo6 n GLN 17 N -0.65 -0.11 0.00 2.12 -0.00 -1.26 -4.62 117.38 112.86 1qo6 n GLN 17 Ca 0.57 -0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.54 1qo6 n GLN 17 Cb 0.42 -1.05 0.00 0.00 -0.00 0.00 0.00 30.24 29.60 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 1qo6 n TRP 18 N -3.39 0.00 -3.62 2.61 2.14 0.40 -4.97 117.44 110.61 1qo6 n TRP 18 Ca -0.02 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.34 1qo6 n TRP 18 Cb 0.71 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 31.05 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 0.15 -0.02 5.67 2.96 -1.26 -1.87 118.68 124.31 1qo6 s LEU 19 Ca 0.00 -0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 53.52 1qo6 s LEU 19 Cb 0.00 -0.04 -0.05 0.00 0.50 0.00 0.00 46.19 46.59 1qo6 s LEU 19 CO 0.00 -0.30 0.52 -0.75 -1.32 0.00 0.00 176.35 174.50 1qo6 s LYS 20 N 2.20 4.22 0.00 1.98 2.47 0.37 -4.86 119.74 126.12 1qo6 s LYS 20 Ca 0.04 0.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.04 1qo6 s LYS 20 Cb -0.14 -3.33 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 1qo6 s LYS 20 CO -0.07 0.42 0.00 2.41 0.16 0.00 0.00 175.35 178.27 1qo6 n THR 21 N 2.65 0.00 -2.40 3.43 -1.04 -1.26 0.73 114.28 116.38 1qo6 n THR 21 Ca -0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 1qo6 n THR 21 Cb 0.51 0.18 -0.01 0.00 -1.82 0.00 0.00 70.33 69.20 1qo6 n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n GLN 22 N -1.55 2.97 0.00 -2.82 1.13 -1.26 -3.71 117.38 112.14 1qo6 n GLN 22 Ca 0.00 -3.09 0.00 0.00 -1.94 0.00 0.00 57.00 51.97 1qo6 n GLN 22 Cb 0.10 -3.49 0.00 0.00 0.11 0.00 0.00 30.24 26.96 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 5.26 0.16 1.36 1.08 0.00 -1.26 -5.07 105.19 106.72 1qo6 n GLY 23 Ca 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.93 -1.79 0.08 1.61 3.02 -1.24 -5.06 115.26 110.95 1qo6 n ASN 24 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1qo6 n ASN 24 Cb 0.00 1.88 0.00 0.00 -0.61 0.00 0.00 39.78 41.05 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1qo6 n LYS 25 N -2.88 0.00 -3.57 3.52 0.00 -1.26 -5.15 118.16 108.83 1qo6 n LYS 25 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1qo6 n LYS 25 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1qo6 s GLN 26 N -2.00 0.99 -0.14 -1.58 -0.21 -1.26 -4.84 119.66 110.61 1qo6 s GLN 26 Ca 0.00 0.14 -0.30 0.00 0.02 0.00 0.00 55.36 55.21 1qo6 s GLN 26 Cb 0.00 0.46 0.12 0.00 1.00 0.00 0.00 33.01 34.59 1qo6 s GLN 26 CO 0.00 -0.31 0.94 1.41 -2.12 0.00 0.00 175.29 175.21 1qo6 s MET 27 N -1.31 0.68 -0.14 2.91 1.75 0.22 0.26 119.30 123.67 1qo6 s MET 27 Ca -0.11 0.18 -0.00 0.00 -1.25 0.00 0.00 55.69 54.50 1qo6 s MET 27 Cb -0.01 0.32 -0.01 0.00 2.84 0.00 0.00 34.83 37.97 1qo6 s MET 27 CO 0.08 -0.21 -0.14 -1.17 -0.65 0.00 0.00 175.02 172.93 1qo6 s LEU 28 N -1.10 2.63 -0.14 4.11 2.96 -0.98 0.14 118.68 126.31 1qo6 s LEU 28 Ca -0.03 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1qo6 s LEU 28 Cb -0.00 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1qo6 s LEU 28 CO 0.03 0.13 -0.14 0.00 -1.32 0.00 0.00 176.35 175.05 1qo6 s THR 30 N 0.52 1.31 -0.30 0.00 2.01 0.38 0.15 115.64 119.71 1qo6 s THR 30 Ca -0.10 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.63 1qo6 s THR 30 Cb -0.16 -1.22 0.08 0.00 0.01 0.00 0.00 72.50 71.22 1qo6 s THR 30 CO 0.04 -0.11 -0.02 0.00 -0.69 0.00 0.00 174.62 173.84 1qo6 n LEU 32 N 4.35 0.00 0.00 0.00 -0.00 -1.24 -0.07 117.00 120.04 1qo6 n LEU 32 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 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 0.21 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 1qo6 n GLY 33 N 3.29 0.01 0.16 1.47 0.00 -1.26 -4.11 105.19 104.75 1qo6 n GLY 33 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.63 0.00 1.61 -1.07 -1.95 -3.38 115.58 111.42 1qo6 h ASN 34 Ca 0.00 -0.69 0.00 0.00 0.07 0.00 0.00 56.30 55.68 1qo6 h ASN 34 Cb 0.00 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.06 1qo6 h ASN 34 CO 0.00 1.23 0.00 0.61 0.07 0.00 0.00 177.43 179.34 1qo6 n GLY 35 N 0.86 1.39 3.27 9.14 0.00 -1.26 -5.01 105.19 113.58 1qo6 n GLY 35 Ca -0.09 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 2.03 -0.83 -0.07 1.61 1.01 -1.26 -3.63 120.40 119.27 1qo6 s VAL 36 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1qo6 s VAL 36 Cb 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1qo6 s VAL 36 CO 0.00 -0.01 0.04 -0.55 0.00 0.00 0.00 175.10 174.58 1qo6 s SER 37 N 2.75 5.48 0.33 3.32 0.15 0.31 -4.86 113.70 121.19 1qo6 s SER 37 Ca 0.06 0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1qo6 s SER 37 Cb -0.13 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 1qo6 s SER 37 CO -0.17 0.35 0.09 0.00 1.20 0.00 0.00 173.24 174.70 1qo6 s GLN 39 N -3.87 1.35 0.09 0.00 0.74 0.52 -4.93 119.66 113.56 1qo6 s GLN 39 Ca 0.33 -2.04 -0.36 0.00 0.05 0.00 0.00 55.36 53.35 1qo6 s GLN 39 Cb 0.07 -2.45 -0.15 0.00 1.10 0.00 0.00 33.01 31.57 1qo6 s GLN 39 CO 0.15 -1.14 1.48 0.39 -0.55 0.00 0.00 175.29 175.62 1qo6 n GLU 40 N 3.56 1.62 0.00 1.67 4.71 -1.26 -2.20 120.64 128.74 1qo6 n GLU 40 Ca 0.08 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.81 1qo6 n GLU 40 Cb 0.34 -2.29 0.00 0.00 -1.01 0.00 0.00 31.44 28.48 1qo6 n GLU 40 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1qo6 n THR 41 N 3.11 0.00 -1.36 2.62 -1.04 0.74 -4.64 114.28 113.71 1qo6 n THR 41 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 1qo6 n THR 41 Cb 0.23 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.19 -1.94 2.41 0.00 -0.93 -4.01 120.51 115.85 1qo6 n ALA 42 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 1qo6 n ALA 42 Cb 0.00 -1.81 0.04 0.00 0.00 0.00 0.00 19.45 17.68 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 -2.20 0.00 -0.28 0.00 0.24 -1.26 -4.68 118.33 110.15 1qo6 n VAL 43 Ca -0.13 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1qo6 n VAL 43 Cb 0.60 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1qo6 n THR 44 N -2.02 0.00 -4.41 3.34 5.66 -1.26 -4.93 114.28 110.65 1qo6 n THR 44 Ca 0.04 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.85 1qo6 n THR 44 Cb 0.15 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.88 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qo6 n GLN 45 N -0.41 0.77 -3.83 1.09 6.02 -1.26 -5.06 117.38 114.69 1qo6 n GLN 45 Ca 0.00 -2.58 -0.12 0.00 -0.01 0.00 0.00 57.00 54.29 1qo6 n GLN 45 Cb 0.00 1.24 -0.09 0.00 1.02 0.00 0.00 30.24 32.41 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1qo6 s THR 46 N -2.60 0.07 0.00 5.09 -4.23 -1.25 -3.76 115.64 108.97 1qo6 s THR 46 Ca 0.12 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1qo6 s THR 46 Cb 0.01 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1qo6 s THR 46 CO 0.08 -0.34 0.00 0.00 -0.54 0.00 0.00 174.62 173.83 1qo6 n TYR 47 N 1.39 0.00 0.00 3.99 0.18 -1.26 -4.81 117.16 116.65 1qo6 n TYR 47 Ca -0.22 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.56 1qo6 n TYR 47 Cb 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 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 2.62 -0.13 5.09 -7.48 0.00 -1.26 -4.57 105.19 99.46 1qo6 n GLY 48 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 1.53 0.00 -0.02 0.00 -1.26 -2.11 105.19 103.33 1qo6 n GLY 49 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 6.87 0.47 0.00 1.61 4.05 0.66 -4.77 115.26 124.15 1qo6 n ASN 50 Ca 0.00 -1.06 0.00 0.00 0.45 0.00 0.00 54.58 53.97 1qo6 n ASN 50 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1qo6 n SER 51 N -0.03 0.27 -0.59 1.20 2.88 0.06 -4.48 113.62 112.92 1qo6 n SER 51 Ca 0.00 -0.69 -0.08 0.00 -1.33 0.00 0.00 58.87 56.77 1qo6 n SER 51 Cb 0.19 0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.17 -3.85 0.00 -3.46 5.15 -0.90 -4.60 115.26 107.43 1qo6 n ASN 52 Ca 0.00 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1qo6 n ASN 52 Cb 0.09 -2.08 0.00 0.00 -0.53 0.00 0.00 39.78 37.26 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 -2.01 0.49 0.95 8.20 0.00 -1.07 -4.49 105.19 107.26 1qo6 n GLY 53 Ca -0.08 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 -2.13 -2.30 1.61 1.02 -1.26 -4.53 120.64 113.05 1qo6 n GLU 54 Ca 0.00 1.67 -0.41 0.00 -0.02 0.00 0.00 57.16 58.40 1qo6 n GLU 54 Cb 0.00 -2.51 -0.03 0.00 -0.02 0.00 0.00 31.44 28.88 1qo6 n GLU 54 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1qo6 s PRO 55 N -3.35 4.47 1.02 3.49 0.02 -1.26 -4.92 135.00 134.47 1qo6 s PRO 55 Ca 0.00 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 62.84 1qo6 s PRO 55 Cb 0.00 -3.18 0.21 0.00 0.02 0.00 0.00 34.50 31.55 1qo6 s PRO 55 CO 0.00 -0.09 1.21 0.00 -0.33 0.00 0.00 177.00 177.79 1qo6 n VAL 57 N -4.07 1.35 -4.62 0.00 3.14 0.85 -4.81 118.33 110.17 1qo6 n VAL 57 Ca 0.12 -4.96 -0.28 0.00 -2.96 0.00 0.00 64.34 56.26 1qo6 n VAL 57 Cb 0.59 -1.29 -0.11 0.00 -1.06 0.00 0.00 33.84 31.98 1qo6 n VAL 57 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1qo6 s LEU 58 N -2.59 2.80 -0.01 6.55 1.02 -1.26 -3.80 118.68 121.39 1qo6 s LEU 58 Ca 0.42 -1.39 -0.30 0.00 0.02 0.00 0.00 54.13 52.88 1qo6 s LEU 58 Cb 0.26 -0.86 -0.06 0.00 0.02 0.00 0.00 46.19 45.54 1qo6 s LEU 58 CO -0.09 -0.49 1.63 -2.84 0.02 0.00 0.00 176.35 174.58 1qo6 s PRO 59 N -3.73 4.20 0.09 1.29 0.02 -1.26 -5.00 135.00 130.61 1qo6 s PRO 59 Ca 0.33 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.57 1qo6 s PRO 59 Cb 0.09 -3.82 0.01 0.00 0.02 0.00 0.00 34.50 30.80 1qo6 s PRO 59 CO 0.17 -0.78 0.08 1.97 -0.33 0.00 0.00 177.00 178.11 1qo6 n PHE 60 N 6.45 -1.66 -4.66 6.54 1.16 -0.86 -4.89 117.46 119.54 1qo6 n PHE 60 Ca 0.16 -0.37 -0.24 0.00 -1.87 0.00 0.00 57.45 55.13 1qo6 n PHE 60 Cb 0.42 -0.08 -0.16 0.00 -1.61 0.00 0.00 39.48 38.06 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 -0.27 1.18 -0.16 1.97 2.01 -1.26 -2.27 115.64 116.84 1qo6 s THR 61 Ca 0.06 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 1qo6 s THR 61 Cb -0.00 -1.03 0.06 0.00 0.01 0.00 0.00 72.50 71.54 1qo6 s THR 61 CO 0.04 0.35 0.39 -0.47 -0.69 0.00 0.00 174.62 174.24 1qo6 s TYR 62 N 0.12 -0.58 0.00 4.92 5.04 -0.80 -4.86 117.35 121.18 1qo6 s TYR 62 Ca -0.04 1.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 1qo6 s TYR 62 Cb -0.11 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.45 1qo6 s TYR 62 CO 0.02 -0.34 0.00 -1.71 -1.34 0.00 0.00 175.55 172.18 1qo6 n ASN 63 N 4.30 -1.90 0.00 4.32 2.85 -1.26 -2.22 115.26 121.35 1qo6 n ASN 63 Ca -0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 1qo6 n ASN 63 Cb 0.55 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 40.01 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 -1.58 1.95 0.00 8.20 0.00 -1.26 -5.08 105.19 107.41 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 -1.01 1.64 -4.05 1.61 1.85 -0.94 -5.10 116.66 110.66 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 1.18 0.32 -0.08 8.89 2.01 -1.26 -1.91 115.64 124.79 1qo6 s THR 66 Ca 0.00 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 60.67 1qo6 s THR 66 Cb 0.00 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.73 1qo6 s THR 66 CO 0.00 -0.63 0.18 -0.36 -0.69 0.00 0.00 174.62 173.11 1qo6 s PHE 67 N -2.29 -0.22 -0.98 4.92 0.40 -0.96 -4.98 117.98 113.87 1qo6 s PHE 67 Ca -0.06 0.59 0.12 0.00 -0.60 0.00 0.00 56.93 56.98 1qo6 s PHE 67 Cb -0.04 -0.05 0.53 0.00 0.51 0.00 0.00 43.02 43.97 1qo6 s PHE 67 CO -0.03 -0.20 1.37 0.66 0.70 0.00 0.00 175.22 177.72 1qo6 n TYR 68 N 4.29 1.19 -3.94 0.36 4.02 -1.26 -2.02 117.16 119.79 1qo6 n TYR 68 Ca -0.25 -0.45 -0.01 0.00 -0.01 0.00 0.00 57.90 57.19 1qo6 n TYR 68 Cb 0.52 -0.26 0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1qo6 n TYR 68 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1qo6 s SER 69 N -0.69 0.01 1.08 7.72 0.01 -1.26 -4.72 113.70 115.86 1qo6 s SER 69 Ca 0.36 -0.47 -0.22 0.00 1.31 0.00 0.00 55.95 56.93 1qo6 s SER 69 Cb 0.25 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.83 1qo6 s SER 69 CO 0.15 -0.68 -0.50 0.00 0.41 0.00 0.00 173.24 172.62 1qo6 s THR 71 N -2.15 0.00 -0.59 0.00 -1.32 -0.09 -4.89 115.64 106.60 1qo6 s THR 71 Ca 0.49 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.03 1qo6 s THR 71 Cb -0.04 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.23 1qo6 s THR 71 CO 0.65 0.00 0.79 0.35 -2.21 0.00 0.00 174.62 174.20 1qo6 n THR 72 N -0.02 2.21 -0.82 5.08 -2.24 -1.26 -0.61 114.28 116.62 1qo6 n THR 72 Ca -0.05 -5.20 0.08 0.00 -2.27 0.00 0.00 64.05 56.60 1qo6 n THR 72 Cb 0.60 -1.80 0.11 0.00 -2.10 0.00 0.00 70.33 67.13 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 0.54 1.67 0.00 -0.78 -0.58 -1.26 -4.85 120.64 115.38 1qo6 n GLU 73 Ca 0.29 -2.31 0.00 0.00 -0.42 0.00 0.00 57.16 54.73 1qo6 n GLU 73 Cb 0.43 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.20 -1.96 0.26 0.62 0.00 -1.26 -5.08 105.19 96.57 1qo6 n GLY 74 Ca 0.12 0.94 -0.02 0.00 0.00 0.00 0.00 46.02 47.06 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 0.27 -0.01 1.61 0.00 -1.26 -5.05 116.66 112.22 1qo6 n ARG 75 Ca 0.00 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.85 57.58 1qo6 n ARG 75 Cb 0.00 0.20 -0.00 0.00 -0.00 0.00 0.00 32.46 32.66 1qo6 n ARG 75 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1qo6 h GLN 76 N 0.00 0.00 0.05 2.89 4.20 -2.02 -3.44 115.11 116.79 1qo6 h GLN 76 Ca -0.02 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.44 1qo6 h GLN 76 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1qo6 h GLN 76 CO 0.03 0.00 -1.33 0.22 -0.67 0.00 0.00 178.83 177.08 1qo6 h ASP 77 N -0.12 0.17 0.00 1.46 1.82 -2.04 -3.49 116.42 114.22 1qo6 h ASP 77 Ca 0.00 -0.71 0.00 0.00 -0.39 0.00 0.00 57.03 55.93 1qo6 h ASP 77 Cb 0.03 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1qo6 h ASP 77 CO 0.00 1.55 0.00 0.61 -1.61 0.00 0.00 179.24 179.79 1qo6 n GLY 78 N 1.62 0.10 3.74 -0.78 0.00 -1.26 -5.14 105.19 103.48 1qo6 n GLY 78 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.19 3.49 -0.39 1.61 3.76 -1.26 -4.94 115.29 117.36 1qo6 s HIS 79 Ca 0.00 0.62 -0.42 0.00 -0.15 0.00 0.00 55.06 55.12 1qo6 s HIS 79 Cb 0.00 -2.31 -0.16 0.00 1.11 0.00 0.00 32.58 31.21 1qo6 s HIS 79 CO 0.00 0.30 1.89 1.28 -0.85 0.00 0.00 174.74 177.36 1qo6 n LEU 80 N 3.35 1.71 -4.54 0.89 4.32 -1.25 -4.74 117.00 116.74 1qo6 n LEU 80 Ca -0.12 0.88 -0.24 0.00 -0.02 0.00 0.00 56.01 56.51 1qo6 n LEU 80 Cb 0.52 -1.05 -0.09 0.00 -1.62 0.00 0.00 43.42 41.18 1qo6 n LEU 80 CO 0.39 -0.65 -0.41 -1.66 -1.22 0.00 0.00 177.39 173.83 1qo6 s TRP 81 N 4.75 2.46 0.11 -1.77 1.48 0.22 0.25 118.94 126.44 1qo6 s TRP 81 Ca 1.07 -0.29 -0.09 0.00 -1.06 0.00 0.00 56.10 55.73 1qo6 s TRP 81 Cb -1.22 -1.08 -0.00 0.00 -1.16 0.00 0.00 33.47 30.00 1qo6 s TRP 81 CO 0.66 0.68 0.22 0.00 -4.06 0.00 0.00 176.95 174.45 1qo6 s SER 83 N -2.88 6.24 0.00 0.00 1.04 -1.26 0.15 113.70 116.99 1qo6 s SER 83 Ca 0.07 0.27 0.16 0.00 0.48 0.00 0.00 55.95 56.94 1qo6 s SER 83 Cb 0.04 -2.12 0.75 0.00 0.10 0.00 0.00 66.02 64.80 1qo6 s SER 83 CO -0.09 0.12 1.52 0.35 0.98 0.00 0.00 173.24 176.12 1qo6 n THR 84 N 3.77 0.13 -3.64 2.02 -2.24 -1.00 0.29 114.28 113.61 1qo6 n THR 84 Ca -0.15 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1qo6 n THR 84 Cb 0.52 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.87 0.00 0.26 4.28 2.01 -1.26 -4.61 115.64 114.45 1qo6 s THR 85 Ca 0.26 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1qo6 s THR 85 Cb 0.13 -1.00 0.38 0.00 0.01 0.00 0.00 72.50 72.02 1qo6 s THR 85 CO 0.20 0.00 1.56 -1.28 -0.69 0.00 0.00 174.62 174.41 1qo6 h SER 86 N 6.06 -1.10 -0.53 3.53 0.87 -1.87 -2.99 113.55 117.52 1qo6 h SER 86 Ca -0.30 0.30 -0.55 0.00 -1.23 0.00 0.00 61.79 60.02 1qo6 h SER 86 Cb 1.20 0.66 -0.05 0.00 -0.44 0.00 0.00 62.40 63.77 1qo6 h SER 86 CO 0.11 -0.31 1.88 -3.20 -0.53 0.00 0.00 176.83 174.78 1qo6 n ASN 87 N -5.57 3.88 0.11 6.23 4.05 -1.26 -4.64 115.26 118.05 1qo6 n ASN 87 Ca 0.14 -2.80 -0.21 0.00 0.45 0.00 0.00 54.58 52.16 1qo6 n ASN 87 Cb 0.46 -1.67 -0.15 0.00 1.23 0.00 0.00 39.78 39.65 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 8.25 0.70 0.00 1.20 3.20 -1.89 -2.59 116.97 125.85 1qo6 h TYR 88 Ca 0.37 -0.51 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1qo6 h TYR 88 Cb 0.85 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1qo6 h TYR 88 CO 1.33 1.48 0.00 0.39 -1.64 0.00 0.00 178.16 179.72 1qo6 n GLU 89 N -3.59 0.10 -0.12 1.82 1.02 -1.26 0.22 120.64 118.83 1qo6 n GLU 89 Ca -0.16 0.39 -0.23 0.00 -0.02 0.00 0.00 57.16 57.14 1qo6 n GLU 89 Cb 1.07 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 30.70 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qo6 n GLN 90 N -1.89 0.56 -0.06 3.49 -0.06 -1.22 -4.73 117.38 113.48 1qo6 n GLN 90 Ca 0.02 0.34 -0.21 0.00 -2.00 0.00 0.00 57.00 55.15 1qo6 n GLN 90 Cb 0.16 -1.55 -0.13 0.00 -4.06 0.00 0.00 30.24 24.66 1qo6 n GLN 90 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1qo6 n ASP 91 N -4.35 2.04 0.00 1.69 -0.08 -0.98 -4.98 116.55 109.90 1qo6 n ASP 91 Ca -0.40 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 1qo6 n ASP 91 Cb 0.74 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1qo6 n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qo6 n GLN 92 N -3.56 0.00 -1.58 -0.67 1.13 0.60 -4.96 117.38 108.34 1qo6 n GLN 92 Ca -0.38 0.00 -0.54 0.00 -1.94 0.00 0.00 57.00 54.14 1qo6 n GLN 92 Cb 0.98 -1.37 -0.07 0.00 0.11 0.00 0.00 30.24 29.89 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1qo6 n LYS 93 N -2.00 1.23 -4.19 -1.09 0.00 -1.26 -4.93 118.16 105.92 1qo6 n LYS 93 Ca 0.00 0.41 -0.11 0.00 -0.00 0.00 0.00 58.31 58.61 1qo6 n LYS 93 Cb 0.00 -2.30 -0.10 0.00 -0.00 0.00 0.00 35.03 32.63 1qo6 n LYS 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1qo6 s TYR 94 N 5.25 0.98 -0.04 5.58 -0.85 -1.26 -2.39 117.35 124.62 1qo6 s TYR 94 Ca 1.03 -0.90 0.03 0.00 -0.52 0.00 0.00 57.07 56.71 1qo6 s TYR 94 Cb -0.95 -0.55 0.00 0.00 0.38 0.00 0.00 41.96 40.85 1qo6 s TYR 94 CO 0.57 -0.11 -0.12 -1.12 -1.52 0.00 0.00 175.55 173.25 1qo6 s SER 95 N -3.07 1.61 1.28 -0.18 0.01 0.39 -0.24 113.70 113.50 1qo6 s SER 95 Ca 0.14 -0.26 -0.21 0.00 1.31 0.00 0.00 55.95 56.92 1qo6 s SER 95 Cb 0.05 -0.53 0.32 0.00 0.21 0.00 0.00 66.02 66.07 1qo6 s SER 95 CO -0.03 0.08 1.08 -0.36 0.41 0.00 0.00 173.24 174.41 1qo6 s PHE 96 N 0.29 -0.06 -0.21 2.43 0.08 -1.19 0.49 117.98 119.82 1qo6 s PHE 96 Ca -0.06 0.41 -0.17 0.00 0.12 0.00 0.00 56.93 57.23 1qo6 s PHE 96 Cb -0.11 -3.38 0.06 0.00 -0.57 0.00 0.00 43.02 39.02 1qo6 s PHE 96 CO 0.02 -4.28 0.53 0.00 -0.10 0.00 0.00 175.22 171.39 1qo6 n THR 98 N 3.22 0.00 0.00 0.00 -2.24 -1.25 -3.94 114.28 110.07 1qo6 n THR 98 Ca -0.16 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1qo6 n THR 98 Cb 0.56 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.00 0.00 0.00 3.42 -0.08 -1.26 -4.80 116.55 113.83 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 0.00 0.06 -0.67 -0.00 -1.26 -5.15 115.22 108.20 1qo6 n HIS 100 Ca 0.00 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.19 1qo6 n HIS 100 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05