#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe s ALA 2 N 0.00 2.93 -0.26 0.00 0.00 -1.26 -4.96 121.76 118.20 2qbe s ALA 2 Ca 0.00 0.76 0.22 0.00 0.00 0.00 0.00 51.96 52.94 2qbe s ALA 2 Cb 0.00 -3.31 -0.18 0.00 0.00 0.00 0.00 23.12 19.63 2qbe s ALA 2 CO 0.00 -0.46 0.75 1.63 0.00 0.00 0.00 175.76 177.68 2qbe n LYS 3 N -0.65 0.53 -3.75 0.00 5.02 -1.26 -4.77 118.16 113.27 2qbe n LYS 3 Ca 0.08 -0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2qbe n LYS 3 Cb 0.50 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.75 2qbe n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qbe s ILE 4 N -3.38 0.85 0.87 -0.18 -1.09 -1.26 -4.90 121.20 112.10 2qbe s ILE 4 Ca -0.03 -1.17 -0.15 0.00 -2.23 0.00 0.00 60.65 57.08 2qbe s ILE 4 Cb 0.13 -1.52 0.20 0.00 -1.58 0.00 0.00 42.46 39.70 2qbe s ILE 4 CO 0.86 -0.50 1.10 0.54 -1.23 0.00 0.00 174.94 175.70 2qbe n ARG 5 N 4.88 -1.39 0.00 2.79 5.12 -1.26 -4.93 116.66 121.88 2qbe n ARG 5 Ca -0.05 -1.70 0.00 0.00 -1.93 0.00 0.00 57.85 54.17 2qbe n ARG 5 Cb 0.43 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.53 2qbe n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qbe n ARG 6 N -3.55 0.00 -1.88 5.56 3.00 -1.26 -4.37 116.66 114.16 2qbe n ARG 6 Ca 0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.71 2qbe n ARG 6 Cb 0.49 -0.11 -0.05 0.00 0.00 0.00 0.00 32.46 32.80 2qbe n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbe s ASP 7 N -2.06 4.81 0.00 6.15 1.11 -1.24 -3.81 116.67 121.63 2qbe s ASP 7 Ca 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.65 2qbe s ASP 7 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 2qbe s ASP 7 CO 0.00 -2.93 0.00 0.47 1.18 0.00 0.00 175.17 173.89 2qbe n ASP 8 N 14.98 1.00 -3.28 0.27 10.43 -1.26 -4.93 116.55 133.76 2qbe n ASP 8 Ca 0.37 -0.32 -0.24 0.00 2.57 0.00 0.00 54.79 57.17 2qbe n ASP 8 Cb 0.48 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.36 2qbe n ASP 8 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2qbe n GLU 9 N 0.00 0.37 -2.37 -1.24 4.07 -1.26 -3.72 120.64 116.49 2qbe n GLU 9 Ca 0.00 -3.08 -0.33 0.00 -0.06 0.00 0.00 57.16 53.69 2qbe n GLU 9 Cb 0.00 -1.52 -0.03 0.00 -0.06 0.00 0.00 31.44 29.83 2qbe n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qbe s VAL 10 N -0.23 4.26 -0.25 6.31 -7.23 -1.00 0.62 120.40 122.88 2qbe s VAL 10 Ca 0.33 1.15 0.03 0.00 -1.81 0.00 0.00 61.98 61.68 2qbe s VAL 10 Cb 0.08 -3.59 -0.17 0.00 0.56 0.00 0.00 36.38 33.26 2qbe s VAL 10 CO -0.17 -0.56 -0.21 0.00 -0.31 0.00 0.00 175.10 173.86 2qbe n ILE 11 N -1.54 1.44 0.00 -0.62 0.00 0.17 -2.43 119.36 116.38 2qbe n ILE 11 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 62.75 62.26 2qbe n ILE 11 Cb 0.54 -1.34 0.00 0.00 0.00 0.00 0.00 39.64 38.83 2qbe n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qbe n VAL 12 N -3.21 -0.88 -1.32 9.51 0.31 -1.26 -1.12 118.33 120.37 2qbe n VAL 12 Ca -0.44 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 63.90 2qbe n VAL 12 Cb 0.98 -0.13 0.01 0.00 -0.91 0.00 0.00 33.84 33.80 2qbe n VAL 12 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbe n LEU 13 N -0.81 0.45 -5.00 7.52 4.32 0.10 -3.96 117.00 119.61 2qbe n LEU 13 Ca 0.00 -0.93 -0.20 0.00 -0.02 0.00 0.00 56.01 54.86 2qbe n LEU 13 Cb 0.00 -0.05 0.04 0.00 -1.62 0.00 0.00 43.42 41.79 2qbe n LEU 13 CO 0.00 0.23 0.25 0.28 -1.22 0.00 0.00 177.39 176.93 2qbe s THR 14 N -0.40 2.27 1.10 -5.08 -1.32 -1.12 -4.96 115.64 106.13 2qbe s THR 14 Ca 0.03 -1.09 -0.16 0.00 -1.21 0.00 0.00 61.69 59.27 2qbe s THR 14 Cb 0.03 -2.35 0.19 0.00 -1.51 0.00 0.00 72.50 68.85 2qbe s THR 14 CO 0.00 0.00 0.33 0.61 -2.21 0.00 0.00 174.62 173.35 2qbe n GLY 15 N -2.07 -2.68 7.00 6.08 0.00 -1.26 -2.73 105.19 109.53 2qbe n GLY 15 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2qbe n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbe n LYS 16 N -2.43 0.00 -1.18 1.61 4.76 -1.26 -3.41 118.16 116.24 2qbe n LYS 16 Ca 0.06 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.11 2qbe n LYS 16 Cb 0.45 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.61 2qbe n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qbe n ASP 17 N 9.71 3.68 0.00 4.39 10.43 -1.26 -4.77 116.55 138.73 2qbe n ASP 17 Ca 0.00 -2.63 0.00 0.00 2.57 0.00 0.00 54.79 54.73 2qbe n ASP 17 Cb 0.00 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 41.72 2qbe n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qbe n LYS 18 N 6.01 0.00 -1.32 -1.24 0.00 -1.10 -4.02 118.16 116.48 2qbe n LYS 18 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.39 2qbe n LYS 18 Cb 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 35.03 35.30 2qbe n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qbe n GLY 19 N 0.00 3.18 0.00 3.14 0.00 -1.25 -3.83 105.19 106.43 2qbe n GLY 19 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2qbe n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbe n LYS 20 N 6.60 3.95 -3.65 1.61 3.00 -0.27 -5.03 118.16 124.37 2qbe n LYS 20 Ca 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.80 2qbe n LYS 20 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.40 2qbe n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qbe s ARG 21 N 3.14 0.00 0.00 1.64 0.52 -1.21 -4.37 118.95 118.67 2qbe s ARG 21 Ca 0.00 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 2qbe s ARG 21 Cb 0.00 0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.47 2qbe s ARG 21 CO 0.00 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.73 2qbe n GLY 22 N 0.03 1.97 3.69 -3.53 0.00 -1.02 -4.90 105.19 101.43 2qbe n GLY 22 Ca 0.06 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 2qbe n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe s LYS 23 N -2.00 4.33 -0.45 1.61 3.01 -1.26 -2.36 119.74 122.61 2qbe s LYS 23 Ca 0.00 0.78 -0.27 0.00 -1.01 0.00 0.00 55.97 55.46 2qbe s LYS 23 Cb 0.00 -3.51 -0.02 0.00 -1.01 0.00 0.00 37.83 33.28 2qbe s LYS 23 CO 0.00 -0.10 1.89 0.08 0.51 0.00 0.00 175.35 177.72 2qbe s VAL 24 N 1.41 3.38 0.27 3.17 1.01 -1.24 -0.71 120.40 127.68 2qbe s VAL 24 Ca 0.34 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 2qbe s VAL 24 Cb -0.17 -3.69 0.27 0.00 0.00 0.00 0.00 36.38 32.79 2qbe s VAL 24 CO 0.14 -0.56 1.92 0.11 0.00 0.00 0.00 175.10 176.70 2qbe h LYS 25 N 14.36 1.16 -0.68 2.72 1.57 0.11 -3.29 116.57 132.52 2qbe h LYS 25 Ca -0.30 -0.07 0.22 0.00 -1.87 0.00 0.00 60.65 58.63 2qbe h LYS 25 Cb 1.18 -0.26 -0.30 0.00 0.08 0.00 0.00 32.23 32.93 2qbe h LYS 25 CO 1.12 0.77 0.61 0.54 -0.57 0.00 0.00 179.45 181.91 2qbe s ASN 26 N -6.05 -0.12 -0.25 0.86 6.03 -1.24 -4.84 114.94 109.34 2qbe s ASN 26 Ca -0.12 0.17 -0.27 0.00 -1.03 0.00 0.00 52.86 51.61 2qbe s ASN 26 Cb 0.19 1.09 0.00 0.00 -3.03 0.00 0.00 41.25 39.51 2qbe s ASN 26 CO 0.81 -0.03 0.95 0.54 -2.03 0.00 0.00 177.10 177.34 2qbe s VAL 27 N 1.57 4.73 0.37 3.54 0.11 -1.26 -2.36 120.40 127.10 2qbe s VAL 27 Ca -0.04 1.77 -0.13 0.00 -2.93 0.00 0.00 61.98 60.65 2qbe s VAL 27 Cb -0.02 -4.24 -0.08 0.00 -1.53 0.00 0.00 36.38 30.52 2qbe s VAL 27 CO -0.13 -0.17 0.77 -0.76 -3.33 0.00 0.00 175.10 171.47 2qbe s LEU 28 N 3.09 3.92 0.60 2.54 1.43 0.19 -4.95 118.68 125.50 2qbe s LEU 28 Ca 0.40 1.22 0.38 0.00 -1.03 0.00 0.00 54.13 55.10 2qbe s LEU 28 Cb -0.15 -4.07 1.86 0.00 0.03 0.00 0.00 46.19 43.86 2qbe s LEU 28 CO 0.08 -0.32 2.18 0.28 0.23 0.00 0.00 176.35 178.79 2qbe h SER 29 N 1.68 0.00 -0.03 2.29 0.02 -1.96 -1.99 113.55 113.55 2qbe h SER 29 Ca -0.47 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2qbe h SER 29 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2qbe h SER 29 CO 0.64 0.02 0.28 0.28 -1.14 0.00 0.00 176.83 176.91 2qbe h SER 30 N 0.00 0.00 0.00 3.07 0.02 -2.02 -3.43 113.55 111.18 2qbe h SER 30 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qbe h SER 30 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2qbe h SER 30 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2qbe n GLY 31 N -1.22 1.12 3.32 -3.77 0.00 -0.75 -5.10 105.19 98.79 2qbe n GLY 31 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2qbe n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe s LYS 32 N -0.29 1.30 0.28 1.61 1.02 -1.21 -2.83 119.74 119.62 2qbe s LYS 32 Ca 0.00 -1.65 0.06 0.00 0.02 0.00 0.00 55.97 54.40 2qbe s LYS 32 Cb 0.00 -0.60 -0.06 0.00 -0.52 0.00 0.00 37.83 36.65 2qbe s LYS 32 CO 0.00 -0.08 -0.03 0.14 -0.92 0.00 0.00 175.35 174.46 2qbe s VAL 33 N -3.42 1.46 -0.44 3.17 -7.23 -0.59 0.56 120.40 113.90 2qbe s VAL 33 Ca 0.27 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2qbe s VAL 33 Cb 0.05 -2.48 0.12 0.00 0.56 0.00 0.00 36.38 34.63 2qbe s VAL 33 CO 0.08 -0.26 0.18 -0.63 -0.31 0.00 0.00 175.10 174.15 2qbe s ILE 34 N -3.13 2.39 0.25 -0.62 1.01 -0.99 -1.59 121.20 118.52 2qbe s ILE 34 Ca 0.30 -2.89 -0.30 0.00 0.00 0.00 0.00 60.65 57.77 2qbe s ILE 34 Cb 0.05 -2.70 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 2qbe s ILE 34 CO 0.12 -0.72 0.98 -0.69 0.00 0.00 0.00 174.94 174.62 2qbe s VAL 35 N 0.22 3.94 0.19 2.92 1.01 -1.26 0.15 120.40 127.57 2qbe s VAL 35 Ca 0.15 1.96 -0.33 0.00 0.00 0.00 0.00 61.98 63.76 2qbe s VAL 35 Cb -0.23 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.77 2qbe s VAL 35 CO -0.04 0.47 1.57 1.21 0.00 0.00 0.00 175.10 178.31 2qbe n GLU 36 N 1.42 2.28 -4.15 2.72 2.13 0.11 -2.44 120.64 122.71 2qbe n GLU 36 Ca -0.02 0.82 -0.34 0.00 0.66 0.00 0.00 57.16 58.28 2qbe n GLU 36 Cb 0.46 -2.58 -0.06 0.00 0.27 0.00 0.00 31.44 29.53 2qbe n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qbe n GLY 37 N 3.17 -0.32 0.00 8.31 0.00 -1.26 -4.67 105.19 110.42 2qbe n GLY 37 Ca 0.15 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.39 2qbe n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbe n ILE 38 N -4.48 0.00 -2.71 -0.61 0.13 -1.02 -4.81 119.36 105.85 2qbe n ILE 38 Ca -0.24 -0.31 -0.08 0.00 -1.10 0.00 0.00 62.75 61.02 2qbe n ILE 38 Cb 0.61 0.81 0.10 0.00 -0.84 0.00 0.00 39.64 40.32 2qbe n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qbe n ASN 39 N -1.24 -1.45 -4.73 9.51 5.15 -1.26 -4.59 115.26 116.65 2qbe n ASN 39 Ca 0.00 -2.71 -0.36 0.00 -0.60 0.00 0.00 54.58 50.92 2qbe n ASN 39 Cb 0.05 0.91 0.08 0.00 -0.53 0.00 0.00 39.78 40.28 2qbe n ASN 39 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qbe s LEU 40 N -3.02 3.47 -0.15 1.20 1.02 -1.25 -3.12 118.68 116.83 2qbe s LEU 40 Ca 0.23 2.52 -0.06 0.00 0.02 0.00 0.00 54.13 56.84 2qbe s LEU 40 Cb 0.39 -4.61 0.07 0.00 0.02 0.00 0.00 46.19 42.06 2qbe s LEU 40 CO -0.07 -2.11 0.33 0.68 0.02 0.00 0.00 176.35 175.20 2qbe s VAL 41 N -1.62 -0.30 -0.57 -1.59 -7.23 -0.49 -4.95 120.40 103.65 2qbe s VAL 41 Ca 0.79 0.18 -0.26 0.00 -1.81 0.00 0.00 61.98 60.88 2qbe s VAL 41 Cb -0.34 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.02 2qbe s VAL 41 CO 0.42 0.07 2.18 -0.75 -0.31 0.00 0.00 175.10 176.71 2qbe s LYS 42 N 1.97 2.29 -0.31 4.82 2.47 -1.26 -3.08 119.74 126.62 2qbe s LYS 42 Ca -0.04 0.99 -0.13 0.00 -1.56 0.00 0.00 55.97 55.22 2qbe s LYS 42 Cb -0.11 -4.54 -0.03 0.00 -1.46 0.00 0.00 37.83 31.69 2qbe s LYS 42 CO -0.11 -3.14 0.26 0.21 0.16 0.00 0.00 175.35 172.73 2qbe s LYS 43 N 7.79 3.70 -0.96 4.03 2.36 0.77 -4.90 119.74 132.53 2qbe s LYS 43 Ca 0.85 -0.43 -0.24 0.00 -2.55 0.00 0.00 55.97 53.59 2qbe s LYS 43 Cb -0.15 -3.74 0.01 0.00 -1.05 0.00 0.00 37.83 32.90 2qbe s LYS 43 CO 0.22 -0.36 1.64 -1.01 1.55 0.00 0.00 175.35 177.39 2qbe s HIS 44 N 1.82 2.24 -0.18 4.03 3.76 -1.26 0.03 115.29 125.73 2qbe s HIS 44 Ca 0.08 -0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 2qbe s HIS 44 Cb -0.17 -4.44 -0.03 0.00 1.11 0.00 0.00 32.58 29.05 2qbe s HIS 44 CO 0.11 -1.88 1.63 -1.14 -0.85 0.00 0.00 174.74 172.61 2qbe s GLN 45 N 5.79 3.89 0.15 1.40 0.74 -0.52 -4.97 119.66 126.15 2qbe s GLN 45 Ca 0.55 1.81 -0.30 0.00 0.05 0.00 0.00 55.36 57.47 2qbe s GLN 45 Cb -0.03 -4.02 -0.07 0.00 1.10 0.00 0.00 33.01 29.99 2qbe s GLN 45 CO -0.05 -1.18 0.97 0.21 -0.55 0.00 0.00 175.29 174.69 2qbe s LYS 46 N 4.51 4.74 0.00 1.67 2.20 -1.26 -3.15 119.74 128.45 2qbe s LYS 46 Ca 0.72 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 2qbe s LYS 46 Cb -0.27 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2qbe s LYS 46 CO 0.29 0.29 0.00 -0.35 -0.36 0.00 0.00 175.35 175.22 2qbe n PRO 47 N 2.36 1.27 -2.71 4.03 -0.04 -1.26 -4.82 135.00 133.83 2qbe n PRO 47 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 2qbe n PRO 47 Cb 0.48 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.03 2qbe n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2qbe n VAL 48 N -0.86 0.00 -0.52 0.52 3.14 -1.26 -4.98 118.33 114.38 2qbe n VAL 48 Ca 0.00 -1.24 -0.05 0.00 -2.96 0.00 0.00 64.34 60.09 2qbe n VAL 48 Cb 0.00 1.37 -0.05 0.00 -1.06 0.00 0.00 33.84 34.10 2qbe n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qbe n PRO 49 N 0.61 0.00 0.00 1.45 -0.02 -1.26 -4.34 135.00 131.44 2qbe n PRO 49 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2qbe n PRO 49 Cb 0.71 -0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 2qbe n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbe n ALA 50 N 2.07 0.00 -1.26 3.55 0.00 -1.26 -5.10 120.51 118.51 2qbe n ALA 50 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.74 2qbe n ALA 50 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 2qbe n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbe n LEU 51 N 0.00 -0.83 -3.86 0.00 4.77 -1.26 -4.77 117.00 111.05 2qbe n LEU 51 Ca 0.00 1.92 -0.25 0.00 -0.03 0.00 0.00 56.01 57.65 2qbe n LEU 51 Cb 0.00 -3.47 0.01 0.00 -2.33 0.00 0.00 43.42 37.63 2qbe n LEU 51 CO 0.00 -2.30 -0.10 -0.46 -1.33 0.00 0.00 177.39 173.20 2qbe n ASN 52 N -4.07 -2.25 -2.66 -1.43 0.23 -1.26 -4.83 115.26 99.00 2qbe n ASN 52 Ca -0.06 -0.70 -0.08 0.00 -0.53 0.00 0.00 54.58 53.22 2qbe n ASN 52 Cb 0.59 -0.85 0.04 0.00 -2.08 0.00 0.00 39.78 37.47 2qbe n ASN 52 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qbe n GLN 53 N -3.04 1.85 -0.15 -3.83 0.00 -1.26 -4.71 117.38 106.23 2qbe n GLN 53 Ca -0.07 -3.57 -0.07 0.00 0.00 0.00 0.00 57.00 53.29 2qbe n GLN 53 Cb 0.31 -1.60 0.02 0.00 0.00 0.00 0.00 30.24 28.98 2qbe n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2qbe h PRO 54 N 2.71 0.56 0.00 2.61 0.13 -1.96 -3.37 132.00 132.68 2qbe h PRO 54 Ca -0.03 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2qbe h PRO 54 Cb 1.23 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qbe h PRO 54 CO 0.42 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 2qbe n GLY 55 N -1.23 0.80 0.08 1.56 0.00 -1.26 -4.82 105.19 100.32 2qbe n GLY 55 Ca 0.02 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.71 2qbe n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbe n GLY 56 N 0.00 -1.61 3.89 -0.02 0.00 -1.19 -4.84 105.19 101.43 2qbe n GLY 56 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 2qbe n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbe s ILE 57 N -1.52 4.91 -0.08 -0.61 1.01 -1.26 -1.44 121.20 122.21 2qbe s ILE 57 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 2qbe s ILE 57 Cb 0.00 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.75 2qbe s ILE 57 CO 0.00 -0.50 0.19 -0.69 0.00 0.00 0.00 174.94 173.94 2qbe s VAL 58 N -2.31 -0.04 -0.79 2.92 1.01 0.10 -4.85 120.40 116.45 2qbe s VAL 58 Ca 0.47 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 2qbe s VAL 58 Cb -0.10 -0.30 0.17 0.00 0.00 0.00 0.00 36.38 36.14 2qbe s VAL 58 CO 0.33 0.06 0.83 -0.70 0.00 0.00 0.00 175.10 175.62 2qbe s GLU 59 N 1.13 3.45 0.00 2.72 2.12 -1.26 -0.16 118.70 126.69 2qbe s GLU 59 Ca -0.09 -2.00 0.00 0.00 0.36 0.00 0.00 54.97 53.25 2qbe s GLU 59 Cb -0.10 -4.51 0.00 0.00 0.26 0.00 0.00 34.13 29.77 2qbe s GLU 59 CO -0.07 -1.47 0.00 1.17 -0.54 0.00 0.00 175.26 174.36 2qbe n LYS 60 N 5.20 1.00 0.00 4.30 3.00 -1.18 -4.73 118.16 125.75 2qbe n LYS 60 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2qbe n LYS 60 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 2qbe n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qbe n GLU 61 N -0.94 3.83 0.00 1.64 -0.58 -1.26 -1.40 120.64 121.93 2qbe n GLU 61 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbe n GLU 61 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbe n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbe n ALA 62 N -3.00 0.00 -1.67 0.62 0.00 -1.18 -3.86 120.51 111.41 2qbe n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbe n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbe n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe n ALA 63 N -0.49 -2.47 -2.59 0.00 0.00 -1.26 -5.04 120.51 108.65 2qbe n ALA 63 Ca 0.00 0.27 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 2qbe n ALA 63 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 2qbe n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qbe s ILE 64 N -0.32 3.62 -0.26 0.00 1.10 -0.62 -4.80 121.20 119.93 2qbe s ILE 64 Ca 0.00 -1.50 -0.39 0.00 -0.51 0.00 0.00 60.65 58.25 2qbe s ILE 64 Cb 0.00 -3.16 -0.15 0.00 0.15 0.00 0.00 42.46 39.30 2qbe s ILE 64 CO 0.00 -0.23 1.81 0.00 -2.11 0.00 0.00 174.94 174.41 2qbe n GLN 65 N -1.24 1.32 -0.34 3.50 1.13 -1.26 -1.55 117.38 118.94 2qbe n GLN 65 Ca -0.04 0.48 0.30 0.00 -1.94 0.00 0.00 57.00 55.80 2qbe n GLN 65 Cb 0.60 -2.22 0.63 0.00 0.11 0.00 0.00 30.24 29.36 2qbe n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 2qbe h VAL 66 N 5.44 0.42 0.00 5.09 3.04 -1.82 0.68 116.25 129.11 2qbe h VAL 66 Ca -0.45 -0.06 -0.06 0.00 -1.01 0.00 0.00 66.70 65.11 2qbe h VAL 66 Cb 1.31 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 2qbe h VAL 66 CO 0.97 0.03 -0.30 0.77 -1.01 0.00 0.00 177.57 178.03 2qbe h SER 67 N 0.19 0.00 0.24 3.17 4.64 -1.87 -2.96 113.55 116.96 2qbe h SER 67 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 2qbe h SER 67 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 2qbe h SER 67 CO -0.18 0.30 0.00 0.59 -0.87 0.00 0.00 176.83 176.67 2qbe n ASN 68 N -3.41 0.39 -4.77 4.97 4.13 0.24 -4.72 115.26 112.08 2qbe n ASN 68 Ca 0.00 0.65 -0.33 0.00 1.68 0.00 0.00 54.58 56.58 2qbe n ASN 68 Cb 0.49 -0.71 -0.07 0.00 -1.54 0.00 0.00 39.78 37.95 2qbe n ASN 68 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2qbe s VAL 69 N -3.30 1.18 -0.22 2.41 -7.23 -1.12 0.03 120.40 112.16 2qbe s VAL 69 Ca 0.01 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 2qbe s VAL 69 Cb 0.06 -2.15 0.06 0.00 0.56 0.00 0.00 36.38 34.91 2qbe s VAL 69 CO 0.21 0.00 0.63 0.00 -0.31 0.00 0.00 175.10 175.62 2qbe s ALA 70 N -2.87 -1.56 0.20 1.32 0.00 -1.26 -4.82 121.76 112.77 2qbe s ALA 70 Ca 0.07 1.70 -0.31 0.00 0.00 0.00 0.00 51.96 53.42 2qbe s ALA 70 Cb 0.01 -0.92 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 2qbe s ALA 70 CO 0.04 -0.30 1.54 0.96 0.00 0.00 0.00 175.76 178.00 2qbe s ILE 71 N 0.17 2.56 -0.45 0.00 -4.36 -1.26 0.43 121.20 118.29 2qbe s ILE 71 Ca -0.01 0.42 -0.29 0.00 -0.26 0.00 0.00 60.65 60.51 2qbe s ILE 71 Cb -0.04 -3.27 0.02 0.00 1.25 0.00 0.00 42.46 40.42 2qbe s ILE 71 CO 0.02 0.05 1.30 0.12 0.24 0.00 0.00 174.94 176.66 2qbe s PHE 72 N 0.72 2.57 0.35 1.37 5.36 0.20 -3.97 117.98 124.58 2qbe s PHE 72 Ca 0.67 0.68 0.35 0.00 -0.96 0.00 0.00 56.93 57.67 2qbe s PHE 72 Cb -0.44 -4.38 1.69 0.00 -0.34 0.00 0.00 43.02 39.56 2qbe s PHE 72 CO 0.36 -1.68 2.12 -2.95 -1.46 0.00 0.00 175.22 171.61 2qbe h ASN 73 N 10.09 0.00 0.00 6.13 -0.00 -0.89 -3.46 115.58 127.45 2qbe h ASN 73 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.04 2qbe h ASN 73 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.41 2qbe h ASN 73 CO 1.11 0.04 0.00 0.00 -0.00 0.00 0.00 177.43 178.57 2qbe n ALA 74 N -2.14 0.00 -0.34 4.14 0.00 -1.26 -4.48 120.51 116.44 2qbe n ALA 74 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.61 2qbe n ALA 74 Cb 0.23 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.09 2qbe n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe h ALA 75 N 0.00 1.94 -0.00 0.00 0.00 -1.94 -1.65 119.26 117.61 2qbe h ALA 75 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qbe h ALA 75 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qbe h ALA 75 CO 0.00 -0.36 -0.06 0.25 0.00 0.00 0.00 179.25 179.09 2qbe n THR 76 N -4.76 0.00 -2.76 0.00 -2.24 -1.26 -5.03 114.28 98.23 2qbe n THR 76 Ca 0.25 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2qbe n THR 76 Cb 0.75 1.06 0.05 0.00 -2.10 0.00 0.00 70.33 70.09 2qbe n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbe n GLY 77 N 0.51 -0.33 0.00 3.38 0.00 -0.62 -4.99 105.19 103.14 2qbe n GLY 77 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qbe n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbe n LYS 78 N -2.80 0.00 -4.44 1.61 0.00 -1.26 -4.93 118.16 106.34 2qbe n LYS 78 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 57.96 2qbe n LYS 78 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.51 2qbe n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbe s ALA 79 N -1.00 2.62 -0.35 3.14 0.00 -1.26 -0.19 121.76 124.72 2qbe s ALA 79 Ca 0.00 -1.77 0.14 0.00 0.00 0.00 0.00 51.96 50.33 2qbe s ALA 79 Cb 0.00 -0.28 0.43 0.00 0.00 0.00 0.00 23.12 23.27 2qbe s ALA 79 CO 0.00 0.32 1.20 -0.25 0.00 0.00 0.00 175.76 177.03 2qbe n ASP 80 N -0.26 -0.25 0.00 0.00 10.43 -1.25 -4.88 116.55 120.34 2qbe n ASP 80 Ca -0.08 -2.49 0.00 0.00 2.57 0.00 0.00 54.79 54.79 2qbe n ASP 80 Cb 0.58 0.25 0.00 0.00 1.84 0.00 0.00 41.12 43.79 2qbe n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2qbe n ARG 81 N -0.49 0.00 0.04 -1.24 1.74 -1.26 0.06 116.66 115.51 2qbe n ARG 81 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2qbe n ARG 81 Cb 0.84 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.28 2qbe n ARG 81 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qbe n VAL 82 N 0.00 0.00 -1.28 1.55 0.31 -1.26 -4.74 118.33 112.91 2qbe n VAL 82 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 2qbe n VAL 82 Cb 0.00 -0.26 -0.08 0.00 -0.91 0.00 0.00 33.84 32.59 2qbe n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qbe n GLY 83 N 0.06 -3.21 3.11 2.92 0.00 -1.25 0.88 105.19 107.69 2qbe n GLY 83 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 2qbe n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbe s PHE 84 N -4.01 -0.41 0.00 1.61 0.40 -1.26 -3.77 117.98 110.53 2qbe s PHE 84 Ca 0.00 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 2qbe s PHE 84 Cb 0.00 0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.63 2qbe s PHE 84 CO 0.00 -0.27 0.00 -2.13 0.70 0.00 0.00 175.22 173.52 2qbe n ARG 85 N 4.33 0.00 -2.14 0.44 0.00 -0.96 -5.06 116.66 113.28 2qbe n ARG 85 Ca -0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.58 2qbe n ARG 85 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.00 2qbe n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qbe n PHE 86 N -1.06 -1.47 -0.04 -0.14 -0.00 -0.96 -4.46 117.46 109.33 2qbe n PHE 86 Ca 0.00 -0.76 -0.05 0.00 -0.00 0.00 0.00 57.45 56.65 2qbe n PHE 86 Cb 0.00 0.35 -0.05 0.00 -0.00 0.00 0.00 39.48 39.78 2qbe n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2qbe n GLU 87 N -0.21 1.84 -1.50 -4.13 -0.00 -1.26 -4.99 120.64 110.38 2qbe n GLU 87 Ca -0.03 0.02 -0.14 0.00 -0.00 0.00 0.00 57.16 57.00 2qbe n GLU 87 Cb 0.23 -1.18 0.09 0.00 -0.00 0.00 0.00 31.44 30.58 2qbe n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2qbe n ASP 88 N -2.46 0.52 -2.48 -1.84 4.64 -1.26 -4.88 116.55 108.80 2qbe n ASP 88 Ca -0.13 -1.52 -0.08 0.00 -1.38 0.00 0.00 54.79 51.68 2qbe n ASP 88 Cb 0.71 -0.44 -0.06 0.00 -1.04 0.00 0.00 41.12 40.28 2qbe n ASP 88 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qbe n GLY 89 N 0.41 2.10 3.18 0.27 0.00 -1.26 -4.71 105.19 105.18 2qbe n GLY 89 Ca 0.09 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 2qbe n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe s LYS 90 N 2.49 0.74 -0.08 1.61 -0.14 -1.26 -5.10 119.74 117.99 2qbe s LYS 90 Ca 0.30 -0.79 -0.03 0.00 -1.36 0.00 0.00 55.97 54.09 2qbe s LYS 90 Cb 0.13 0.30 -0.01 0.00 -1.68 0.00 0.00 37.83 36.57 2qbe s LYS 90 CO -0.01 -0.22 -0.06 -0.22 -0.76 0.00 0.00 175.35 174.09 2qbe h LYS 91 N 3.20 0.00 -2.57 1.68 3.64 -1.91 -3.37 116.57 117.24 2qbe h LYS 91 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2qbe h LYS 91 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2qbe h LYS 91 CO 0.52 0.00 -0.62 0.28 -2.27 0.00 0.00 179.45 177.36 2qbe n VAL 92 N -3.95 -3.99 -3.08 2.00 0.31 -1.26 -2.26 118.33 106.09 2qbe n VAL 92 Ca -0.02 1.67 -0.18 0.00 -0.01 0.00 0.00 64.34 65.80 2qbe n VAL 92 Cb 0.09 -2.37 0.01 0.00 -0.91 0.00 0.00 33.84 30.65 2qbe n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qbe s ARG 93 N -3.91 2.76 -0.28 5.55 0.52 -1.26 -2.25 118.95 120.08 2qbe s ARG 93 Ca 0.00 -1.31 -0.16 0.00 -0.52 0.00 0.00 55.73 53.74 2qbe s ARG 93 Cb 0.00 -2.70 0.10 0.00 0.52 0.00 0.00 34.95 32.87 2qbe s ARG 93 CO 0.00 -0.30 0.78 -0.59 0.02 0.00 0.00 175.30 175.21 2qbe s PHE 94 N -2.39 -0.91 -0.05 -0.53 -0.12 0.25 -2.26 117.98 111.97 2qbe s PHE 94 Ca 0.54 1.83 -0.30 0.00 -0.05 0.00 0.00 56.93 58.96 2qbe s PHE 94 Cb -0.09 0.54 -0.06 0.00 -0.63 0.00 0.00 43.02 42.78 2qbe s PHE 94 CO 0.33 -0.45 1.78 -0.06 -0.05 0.00 0.00 175.22 176.77 2qbe s PHE 95 N 1.52 1.72 1.14 3.49 0.08 -1.26 -3.89 117.98 120.79 2qbe s PHE 95 Ca -0.09 0.04 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 2qbe s PHE 95 Cb -0.05 -4.03 0.25 0.00 -0.57 0.00 0.00 43.02 38.63 2qbe s PHE 95 CO -0.18 -4.32 0.56 1.63 -0.10 0.00 0.00 175.22 172.81 2qbe n LYS 96 N 7.40 -3.18 0.00 0.44 4.76 0.11 -1.68 118.16 126.00 2qbe n LYS 96 Ca 0.19 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 2qbe n LYS 96 Cb 0.43 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2qbe n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qbe n SER 97 N -2.73 0.00 -0.16 4.39 3.41 -1.26 -4.05 113.62 113.22 2qbe n SER 97 Ca 0.09 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.71 2qbe n SER 97 Cb 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2qbe n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qbe n ASN 98 N 0.53 0.45 -4.10 4.04 0.23 -1.20 -5.00 115.26 110.21 2qbe n ASN 98 Ca 0.00 -1.61 -0.35 0.00 -0.53 0.00 0.00 54.58 52.09 2qbe n ASN 98 Cb 0.00 -0.10 -0.07 0.00 -2.08 0.00 0.00 39.78 37.53 2qbe n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qbe n SER 99 N -0.18 -1.04 -0.30 0.53 7.64 -0.68 -4.74 113.62 114.84 2qbe n SER 99 Ca 0.01 -1.08 0.13 0.00 1.01 0.00 0.00 58.87 58.94 2qbe n SER 99 Cb 0.54 -1.37 0.30 0.00 -1.01 0.00 0.00 64.21 62.67 2qbe n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qbe h GLU 100 N -0.89 0.37 -5.05 1.43 4.57 -1.72 -3.45 114.58 109.83 2qbe h GLU 100 Ca -0.53 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 2qbe h GLU 100 Cb 1.19 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2qbe h GLU 100 CO 0.74 0.25 -0.29 2.41 -1.18 0.00 0.00 179.01 180.93 2qbe n THR 101 N -5.06 -9.80 1.83 0.32 -1.04 -1.26 -4.85 114.28 94.42 2qbe n THR 101 Ca 0.22 0.45 0.15 0.00 -2.04 0.00 0.00 64.05 62.83 2qbe n THR 101 Cb 0.65 -6.82 0.80 0.00 -1.82 0.00 0.00 70.33 63.14 2qbe n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43