#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpz s VAL 2 N 0.00 2.22 -0.19 12.58 1.01 -1.26 -4.69 120.40 130.07 2qpz s VAL 2 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2qpz s VAL 2 Cb 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2qpz s VAL 2 CO 0.00 0.54 0.06 -0.75 0.00 0.00 0.00 175.10 174.95 2qpz s LYS 3 N 0.88 0.40 -0.03 2.72 2.20 -1.26 -5.03 119.74 119.61 2qpz s LYS 3 Ca -0.05 -0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.01 2qpz s LYS 3 Cb -0.15 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 2qpz s LYS 3 CO -0.03 -0.69 0.70 -1.58 -0.36 0.00 0.00 175.35 173.40 2qpz s TRP 4 N 1.97 3.62 -0.04 4.03 0.52 -1.26 -3.25 118.94 124.53 2qpz s TRP 4 Ca 0.01 1.29 0.04 0.00 0.02 0.00 0.00 56.10 57.47 2qpz s TRP 4 Cb -0.17 -2.79 -0.00 0.00 -1.15 0.00 0.00 33.47 29.36 2qpz s TRP 4 CO -0.11 0.16 -0.17 0.42 0.02 0.00 0.00 176.95 177.27 2qpz s ILE 5 N 0.50 1.43 0.23 2.03 -1.09 0.56 -4.91 121.20 119.95 2qpz s ILE 5 Ca 0.37 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.78 2qpz s ILE 5 Cb -0.18 -1.23 -0.09 0.00 -1.58 0.00 0.00 42.46 39.38 2qpz s ILE 5 CO 0.19 0.41 1.19 -0.70 -1.23 0.00 0.00 174.94 174.81 2qpz s GLU 6 N 0.03 4.51 0.00 2.79 2.12 -1.26 -0.64 118.70 126.24 2qpz s GLU 6 Ca -0.04 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.20 2qpz s GLU 6 Cb -0.11 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2qpz s GLU 6 CO 0.02 -0.03 0.00 0.00 -0.54 0.00 0.00 175.26 174.71 2qpz n ALA 7 N 1.96 1.04 -2.25 6.30 0.00 0.13 -4.88 120.51 122.81 2qpz n ALA 7 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 2qpz n ALA 7 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 2qpz n ALA 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2qpz s VAL 8 N -0.15 0.95 0.35 0.00 -7.23 -1.21 -4.97 120.40 108.15 2qpz s VAL 8 Ca 0.00 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 57.87 2qpz s VAL 8 Cb 0.00 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.86 2qpz s VAL 8 CO 0.00 -0.63 1.30 0.00 -0.31 0.00 0.00 175.10 175.46 2qpz s ALA 9 N -3.47 3.43 -0.98 1.32 0.00 -1.26 -0.15 121.76 120.65 2qpz s ALA 9 Ca 0.20 1.24 0.18 0.00 0.00 0.00 0.00 51.96 53.57 2qpz s ALA 9 Cb 0.04 -3.47 0.75 0.00 0.00 0.00 0.00 23.12 20.44 2qpz s ALA 9 CO 0.02 -0.67 1.57 1.47 0.00 0.00 0.00 175.76 178.14 2qpz n LEU 10 N 0.62 0.03 -0.13 0.00 -0.00 -0.47 -1.61 117.00 115.43 2qpz n LEU 10 Ca 0.01 0.51 -0.05 0.00 -0.00 0.00 0.00 56.01 56.47 2qpz n LEU 10 Cb 0.42 -0.50 0.13 0.00 -0.00 0.00 0.00 43.42 43.47 2qpz n LEU 10 CO 0.58 -0.21 0.86 0.77 -0.00 0.00 0.00 177.39 179.39 2qpz h SER 11 N 0.00 0.82 -0.12 1.45 4.64 -1.91 -2.95 113.55 115.48 2qpz h SER 11 Ca 0.00 -0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2qpz h SER 11 Cb 0.31 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2qpz h SER 11 CO 0.00 0.89 0.23 0.44 -0.87 0.00 0.00 176.83 177.52 2qpz h ASP 12 N 0.79 0.00 -3.13 4.97 3.32 -1.68 -3.34 116.42 117.35 2qpz h ASP 12 Ca 0.15 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.46 2qpz h ASP 12 Cb 0.48 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.82 2qpz h ASP 12 CO 0.02 0.00 0.24 -0.63 -1.72 0.00 0.00 179.24 177.15 2qpz s ILE 13 N -4.40 5.12 1.24 0.35 -1.09 -1.11 -5.02 121.20 116.29 2qpz s ILE 13 Ca -0.04 -1.69 -0.18 0.00 -2.23 0.00 0.00 60.65 56.51 2qpz s ILE 13 Cb 0.13 -4.53 0.30 0.00 -1.58 0.00 0.00 42.46 36.78 2qpz s ILE 13 CO 0.45 -1.15 1.03 -0.76 -1.23 0.00 0.00 174.94 173.27 2qpz s LEU 14 N 1.70 0.26 0.63 2.97 1.02 -1.26 -4.95 118.68 119.05 2qpz s LEU 14 Ca 0.18 0.97 -0.19 0.00 0.02 0.00 0.00 54.13 55.11 2qpz s LEU 14 Cb -0.16 -2.71 -0.02 0.00 0.02 0.00 0.00 46.19 43.33 2qpz s LEU 14 CO -0.03 -4.41 1.30 -0.70 0.02 0.00 0.00 176.35 172.53 2qpz s GLU 15 N -5.02 2.67 -0.68 1.70 2.12 -1.26 -2.83 118.70 115.39 2qpz s GLU 15 Ca 0.69 2.08 0.00 0.00 0.36 0.00 0.00 54.97 58.10 2qpz s GLU 15 Cb -0.16 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.32 2qpz s GLU 15 CO 0.59 -1.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.20 2qpz n GLY 16 N 0.85 0.11 3.81 -1.50 0.00 -1.20 -4.88 105.19 102.38 2qpz n GLY 16 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2qpz n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qpz s ASP 17 N -1.80 7.07 -0.13 1.61 2.15 -1.13 -4.79 116.67 119.65 2qpz s ASP 17 Ca 0.00 1.48 -0.00 0.00 0.43 0.00 0.00 52.55 54.46 2qpz s ASP 17 Cb 0.00 -2.45 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2qpz s ASP 17 CO 0.00 -0.02 -0.13 0.54 -0.17 0.00 0.00 175.17 175.39 2qpz s VAL 18 N -1.61 3.04 -0.07 1.11 0.11 -1.26 -1.01 120.40 120.71 2qpz s VAL 18 Ca 0.46 -0.66 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2qpz s VAL 18 Cb -0.16 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 2qpz s VAL 18 CO 0.21 0.52 -0.18 -0.22 -3.33 0.00 0.00 175.10 172.10 2qpz s LEU 19 N 0.42 1.88 0.01 2.54 2.96 0.02 -4.96 118.68 121.55 2qpz s LEU 19 Ca -0.10 -0.42 -0.24 0.00 -0.22 0.00 0.00 54.13 53.15 2qpz s LEU 19 Cb -0.16 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 2qpz s LEU 19 CO 0.05 0.11 0.74 -0.83 -1.32 0.00 0.00 176.35 175.10 2qpz s GLY 20 N 0.39 2.73 0.17 7.98 0.00 -1.26 -0.63 107.32 116.70 2qpz s GLY 20 Ca -0.14 0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.85 2qpz s GLY 20 CO 0.05 1.11 -0.07 -1.34 0.00 0.00 0.00 173.10 172.85 2qpz s VAL 21 N 0.23 1.11 -0.14 1.40 -7.23 -0.18 -4.99 120.40 110.60 2qpz s VAL 21 Ca 0.38 -2.05 -0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2qpz s VAL 21 Cb -0.19 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2qpz s VAL 21 CO 0.21 -0.63 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.42 2qpz s THR 22 N -3.37 1.08 -0.09 5.32 2.01 -1.26 -1.04 115.64 118.30 2qpz s THR 22 Ca 0.20 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2qpz s THR 22 Cb 0.03 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.38 2qpz s THR 22 CO 0.03 0.24 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.42 2qpz s VAL 23 N 1.66 1.01 -1.60 3.82 1.01 0.12 -4.75 120.40 121.68 2qpz s VAL 23 Ca 0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 2qpz s VAL 23 Cb -0.14 -0.98 0.13 0.00 0.00 0.00 0.00 36.38 35.38 2qpz s VAL 23 CO -0.08 0.35 0.81 -0.62 0.00 0.00 0.00 175.10 175.55 2qpz n GLU 24 N 4.43 -3.86 -0.04 2.72 1.02 -1.26 0.08 120.64 123.73 2qpz n GLU 24 Ca -0.17 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2qpz n GLU 24 Cb 0.51 -5.23 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 2qpz n GLU 24 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qpz n GLY 25 N -1.44 2.14 3.81 0.62 0.00 -1.26 -5.00 105.19 104.06 2qpz n GLY 25 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2qpz n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpz s LYS 26 N -0.26 3.81 -0.21 1.61 1.02 0.11 -5.06 119.74 120.76 2qpz s LYS 26 Ca 0.00 -0.10 -0.16 0.00 0.02 0.00 0.00 55.97 55.73 2qpz s LYS 26 Cb 0.00 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2qpz s LYS 26 CO 0.00 0.55 0.39 -1.21 -0.92 0.00 0.00 175.35 174.17 2qpz s GLU 27 N -0.40 4.15 0.16 1.68 2.02 -1.26 -0.70 118.70 124.34 2qpz s GLU 27 Ca 0.13 0.17 0.06 0.00 0.02 0.00 0.00 54.97 55.35 2qpz s GLU 27 Cb -0.12 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 2qpz s GLU 27 CO 0.03 -0.08 -0.13 -0.51 0.02 0.00 0.00 175.26 174.59 2qpz s LEU 28 N 1.44 2.50 -0.08 1.80 1.02 -0.20 -1.68 118.68 123.48 2qpz s LEU 28 Ca 0.18 -0.96 0.04 0.00 0.02 0.00 0.00 54.13 53.41 2qpz s LEU 28 Cb -0.15 -0.53 -0.01 0.00 0.02 0.00 0.00 46.19 45.52 2qpz s LEU 28 CO 0.08 -0.21 -0.20 0.00 0.02 0.00 0.00 176.35 176.03 2qpz s ALA 29 N -2.84 2.35 -0.12 4.21 0.00 0.30 -1.01 121.76 124.65 2qpz s ALA 29 Ca 0.17 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 2qpz s ALA 29 Cb -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2qpz s ALA 29 CO 0.04 0.37 -0.07 -0.51 0.00 0.00 0.00 175.76 175.58 2qpz s LEU 30 N -0.00 3.10 0.01 0.00 1.43 0.20 -1.36 118.68 122.06 2qpz s LEU 30 Ca -0.07 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 2qpz s LEU 30 Cb -0.15 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2qpz s LEU 30 CO 0.05 0.24 -0.21 -0.31 0.23 0.00 0.00 176.35 176.34 2qpz s TYR 31 N -0.05 1.88 -0.20 0.29 2.02 0.16 -0.80 117.35 120.65 2qpz s TYR 31 Ca 0.00 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.28 2qpz s TYR 31 Cb -0.13 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.23 2qpz s TYR 31 CO 0.03 0.02 0.02 -2.00 -1.57 0.00 0.00 175.55 172.05 2qpz s GLU 32 N -0.78 3.67 -0.22 -0.62 -6.30 -0.18 -1.00 118.70 113.28 2qpz s GLU 32 Ca 0.08 -0.49 -0.02 0.00 -2.50 0.00 0.00 54.97 52.04 2qpz s GLU 32 Cb -0.08 -3.13 0.07 0.00 0.00 0.00 0.00 34.13 30.98 2qpz s GLU 32 CO 0.00 0.02 0.03 0.08 0.02 0.00 0.00 175.26 175.42 2qpz s VAL 33 N 0.99 0.70 -1.41 3.70 1.01 -0.27 -3.24 120.40 121.89 2qpz s VAL 33 Ca 0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2qpz s VAL 33 Cb -0.14 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.01 2qpz s VAL 33 CO 0.02 -0.28 0.33 -0.62 0.00 0.00 0.00 175.10 174.55 2qpz n GLU 34 N 4.97 -1.82 -1.00 2.72 -0.58 -1.26 -0.37 120.64 123.31 2qpz n GLU 34 Ca -0.08 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2qpz n GLU 34 Cb 0.46 -3.87 0.00 0.00 -0.57 0.00 0.00 31.44 27.46 2qpz n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qpz n GLY 35 N -2.20 0.76 3.57 0.62 0.00 -1.26 -5.04 105.19 101.63 2qpz n GLY 35 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2qpz n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qpz s GLU 36 N -0.02 2.04 -0.07 1.61 0.41 0.50 -5.14 118.70 118.03 2qpz s GLU 36 Ca 0.00 -1.35 0.04 0.00 -0.41 0.00 0.00 54.97 53.25 2qpz s GLU 36 Cb 0.00 -2.11 -0.02 0.00 -1.78 0.00 0.00 34.13 30.22 2qpz s GLU 36 CO 0.00 0.41 -0.20 0.42 -0.49 0.00 0.00 175.26 175.40 2qpz s ILE 37 N -1.88 2.52 0.23 -1.63 1.01 -1.26 -1.11 121.20 119.09 2qpz s ILE 37 Ca 0.26 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 60.10 2qpz s ILE 37 Cb -0.08 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2qpz s ILE 37 CO 0.16 0.57 -0.13 -0.31 0.00 0.00 0.00 174.94 175.22 2qpz s TYR 38 N -0.23 1.86 -0.00 3.97 2.02 -0.17 -4.73 117.35 120.06 2qpz s TYR 38 Ca -0.01 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2qpz s TYR 38 Cb -0.13 -0.90 -0.00 0.00 -0.40 0.00 0.00 41.96 40.52 2qpz s TYR 38 CO 0.03 0.39 -0.04 0.00 -1.57 0.00 0.00 175.55 174.37 2qpz s ALA 39 N -2.91 0.33 0.29 3.71 0.00 -1.26 -0.66 121.76 121.25 2qpz s ALA 39 Ca 0.25 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2qpz s ALA 39 Cb -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2qpz s ALA 39 CO 0.09 0.07 0.09 0.95 0.00 0.00 0.00 175.76 176.96 2qpz s THR 40 N -0.03 0.78 0.56 0.00 -4.23 -0.47 -1.25 115.64 110.99 2qpz s THR 40 Ca 0.01 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.32 2qpz s THR 40 Cb -0.02 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 2qpz s THR 40 CO -0.00 0.00 1.10 0.47 -0.54 0.00 0.00 174.62 175.65 2qpz n ASP 41 N -0.57 1.48 0.00 3.99 8.00 -0.36 -0.54 116.55 128.55 2qpz n ASP 41 Ca -0.01 0.89 0.12 0.00 0.71 0.00 0.00 54.79 56.51 2qpz n ASP 41 Cb 0.66 -1.45 0.28 0.00 -0.02 0.00 0.00 41.12 40.60 2qpz n ASP 41 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2qpz n ASN 42 N -0.69 0.46 -4.79 -2.24 5.15 -0.67 -4.38 115.26 108.10 2qpz n ASN 42 Ca 0.12 -0.16 -0.37 0.00 -0.60 0.00 0.00 54.58 53.57 2qpz n ASN 42 Cb 0.45 0.18 -0.06 0.00 -0.53 0.00 0.00 39.78 39.82 2qpz n ASN 42 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2qpz s LEU 43 N -3.08 4.36 0.64 1.20 2.96 -1.26 -0.26 118.68 123.24 2qpz s LEU 43 Ca 0.11 0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 54.57 2qpz s LEU 43 Cb 0.17 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 2qpz s LEU 43 CO 0.69 0.23 1.20 0.00 -1.32 0.00 0.00 176.35 177.14 2qpz h THR 45 N 0.47 0.00 0.00 0.00 1.35 -1.92 -3.29 112.91 109.53 2qpz h THR 45 Ca -0.49 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2qpz h THR 45 Cb 1.29 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2qpz h THR 45 CO 0.54 0.00 -1.52 1.57 -0.25 0.00 0.00 175.52 175.86 2qpz n HIS 46 N -2.57 0.32 -3.92 4.73 -0.00 -1.26 -4.90 115.22 107.63 2qpz n HIS 46 Ca 0.04 0.09 0.01 0.00 -0.00 0.00 0.00 57.72 57.86 2qpz n HIS 46 Cb 0.40 -0.60 0.01 0.00 -0.00 0.00 0.00 29.99 29.80 2qpz n HIS 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qpz n GLY 47 N 1.27 0.44 3.47 1.57 0.00 -1.24 -5.07 105.19 105.62 2qpz n GLY 47 Ca -0.02 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 2qpz n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qpz s SER 48 N -2.90 6.99 0.01 1.61 0.15 -1.26 -3.91 113.70 114.39 2qpz s SER 48 Ca 0.20 -2.82 -0.01 0.00 0.70 0.00 0.00 55.95 54.02 2qpz s SER 48 Cb -0.01 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2qpz s SER 48 CO 0.00 -0.82 0.01 0.00 1.20 0.00 0.00 173.24 173.64 2qpz s ALA 49 N 1.89 0.01 -0.37 5.45 0.00 -1.26 -5.01 121.76 122.46 2qpz s ALA 49 Ca 0.42 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 2qpz s ALA 49 Cb -0.03 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2qpz s ALA 49 CO -0.01 -0.14 0.25 0.50 0.00 0.00 0.00 175.76 176.36 2qpz s ARG 50 N -1.12 3.11 0.38 0.00 3.52 -1.26 -1.14 118.95 122.44 2qpz s ARG 50 Ca -0.12 -0.90 0.14 0.00 -0.13 0.00 0.00 55.73 54.72 2qpz s ARG 50 Cb -0.07 -3.83 0.98 0.00 -1.56 0.00 0.00 34.95 30.46 2qpz s ARG 50 CO -0.00 -0.62 1.81 0.52 -0.81 0.00 0.00 175.30 176.20 2qpz h MET 51 N 8.52 0.51 0.00 5.12 2.86 -0.96 0.18 114.93 131.15 2qpz h MET 51 Ca -0.28 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2qpz h MET 51 Cb 1.13 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2qpz h MET 51 CO 0.68 0.34 0.00 -1.13 1.06 0.00 0.00 176.91 177.85 2qpz n SER 52 N -4.61 0.03 -0.68 1.22 3.41 -1.26 -0.93 113.62 110.80 2qpz n SER 52 Ca 0.22 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2qpz n SER 52 Cb 0.69 -0.52 0.27 0.00 -0.26 0.00 0.00 64.21 64.40 2qpz n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qpz n ASP 53 N -1.54 2.20 -2.77 4.04 8.00 0.61 -4.77 116.55 122.32 2qpz n ASP 53 Ca 0.03 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.85 2qpz n ASP 53 Cb 0.14 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2qpz n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qpz n GLY 54 N 1.29 0.06 2.85 0.44 0.00 -0.11 -4.64 105.19 105.09 2qpz n GLY 54 Ca 0.15 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 2qpz n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qpz s TYR 55 N 0.18 1.34 -0.26 1.61 6.04 -0.54 -4.95 117.35 120.76 2qpz s TYR 55 Ca 0.00 -0.77 -0.16 0.00 0.04 0.00 0.00 57.07 56.18 2qpz s TYR 55 Cb 0.00 -1.15 -0.03 0.00 -1.04 0.00 0.00 41.96 39.74 2qpz s TYR 55 CO 0.00 -0.53 0.43 -1.17 -1.54 0.00 0.00 175.55 172.74 2qpz s LEU 56 N 1.76 4.05 -0.28 6.97 2.96 -1.26 -0.80 118.68 132.08 2qpz s LEU 56 Ca 0.02 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2qpz s LEU 56 Cb -0.14 -2.52 0.09 0.00 0.50 0.00 0.00 46.19 44.11 2qpz s LEU 56 CO -0.07 -0.21 0.05 -0.70 -1.32 0.00 0.00 176.35 174.09 2qpz s GLU 57 N 2.10 1.05 7.80 1.98 2.12 0.00 -5.00 118.70 128.75 2qpz s GLU 57 Ca 0.18 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.41 2qpz s GLU 57 Cb -0.16 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2qpz s GLU 57 CO 0.09 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 2qpz n GLY 58 N 4.73 4.02 1.41 -1.50 0.00 -1.26 -2.09 105.19 110.50 2qpz n GLY 58 Ca -0.04 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.22 2qpz n GLY 58 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qpz n ARG 59 N 12.53 3.66 -4.49 1.61 1.85 -1.26 -4.84 116.66 125.73 2qpz n ARG 59 Ca 0.00 -2.83 -0.33 0.00 -1.00 0.00 0.00 57.85 53.69 2qpz n ARG 59 Cb 0.00 -1.86 -0.15 0.00 -1.05 0.00 0.00 32.46 29.40 2qpz n ARG 59 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2qpz s GLU 60 N -2.01 3.25 -0.19 2.89 2.02 -0.89 -0.67 118.70 123.10 2qpz s GLU 60 Ca 0.47 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.64 2qpz s GLU 60 Cb 0.32 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 2qpz s GLU 60 CO 0.20 0.02 0.10 -1.50 0.02 0.00 0.00 175.26 174.09 2qpz s ILE 61 N 0.83 5.08 -0.24 -1.63 1.10 -0.11 -0.82 121.20 125.41 2qpz s ILE 61 Ca -0.05 0.07 -0.13 0.00 -0.51 0.00 0.00 60.65 60.04 2qpz s ILE 61 Cb -0.15 -3.31 -0.04 0.00 0.15 0.00 0.00 42.46 39.11 2qpz s ILE 61 CO -0.00 0.45 0.26 -0.70 -2.11 0.00 0.00 174.94 172.84 2qpz s GLU 62 N 0.40 4.08 0.48 3.50 2.12 0.02 -1.04 118.70 128.26 2qpz s GLU 62 Ca 0.05 -0.09 -0.23 0.00 0.36 0.00 0.00 54.97 55.06 2qpz s GLU 62 Cb -0.12 -3.57 -0.08 0.00 0.26 0.00 0.00 34.13 30.62 2qpz s GLU 62 CO -0.01 -0.04 1.19 0.00 -0.54 0.00 0.00 175.26 175.86 2qpz n PRO 64 N -0.35 0.03 -4.40 0.00 -0.04 -1.26 -4.35 135.00 124.63 2qpz n PRO 64 Ca 0.09 0.30 -0.29 0.00 -0.04 0.00 0.00 63.50 63.56 2qpz n PRO 64 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 2qpz n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qpz s LEU 65 N -2.91 2.45 0.00 1.53 2.96 -1.26 -4.90 118.68 116.55 2qpz s LEU 65 Ca 0.06 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 2qpz s LEU 65 Cb 0.06 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.41 2qpz s LEU 65 CO 0.17 0.19 0.00 1.41 -1.32 0.00 0.00 176.35 176.80 2qpz n HIS 66 N 0.95 0.00 -1.05 5.38 8.25 -1.26 -3.47 115.22 124.02 2qpz n HIS 66 Ca -0.17 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.27 2qpz n HIS 66 Cb 0.53 -1.50 -0.01 0.00 1.12 0.00 0.00 29.99 30.13 2qpz n HIS 66 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2qpz n GLN 67 N -1.60 -1.08 -2.11 -0.41 6.02 -1.26 -4.46 117.38 112.46 2qpz n GLN 67 Ca 0.00 0.37 -0.37 0.00 -0.01 0.00 0.00 57.00 56.99 2qpz n GLN 67 Cb 0.07 -4.23 0.01 0.00 1.02 0.00 0.00 30.24 27.11 2qpz n GLN 67 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2qpz s GLY 68 N -2.12 2.76 0.02 1.08 0.00 -1.23 -4.79 107.32 103.06 2qpz s GLY 68 Ca 0.00 1.00 0.03 0.00 0.00 0.00 0.00 44.72 45.75 2qpz s GLY 68 CO 0.00 1.44 -0.09 0.50 0.00 0.00 0.00 173.10 174.95 2qpz s ARG 69 N -3.00 0.61 0.12 2.90 0.52 -1.26 -0.69 118.95 118.15 2qpz s ARG 69 Ca 0.70 -0.55 0.08 0.00 -0.52 0.00 0.00 55.73 55.44 2qpz s ARG 69 Cb -0.30 -0.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 2qpz s ARG 69 CO 0.35 0.12 -0.20 -0.06 0.02 0.00 0.00 175.30 175.53 2qpz s PHE 70 N -0.79 1.79 -0.07 -0.53 0.40 -0.21 -0.46 117.98 118.11 2qpz s PHE 70 Ca -0.03 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.59 2qpz s PHE 70 Cb -0.07 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 2qpz s PHE 70 CO 0.00 0.23 0.94 0.34 0.70 0.00 0.00 175.22 177.44 2qpz s ASP 71 N -2.07 7.23 0.39 1.36 2.15 -0.50 -0.94 116.67 124.30 2qpz s ASP 71 Ca 0.08 1.50 0.25 0.00 0.43 0.00 0.00 52.55 54.82 2qpz s ASP 71 Cb -0.09 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.58 2qpz s ASP 71 CO 0.05 -0.33 1.69 -0.37 -0.17 0.00 0.00 175.17 176.04 2qpz h VAL 72 N 4.95 0.00 0.22 1.11 -1.51 -1.25 0.23 116.25 120.01 2qpz h VAL 72 Ca -0.36 -0.79 -0.31 0.00 -1.23 0.00 0.00 66.70 64.01 2qpz h VAL 72 Cb 1.18 1.78 0.03 0.00 -2.13 0.00 0.00 31.29 32.15 2qpz h VAL 72 CO 0.80 0.00 -1.38 0.00 -1.23 0.00 0.00 177.57 175.76 2qpz n THR 74 N -3.80 0.00 -0.92 0.00 -2.24 -1.23 -5.00 114.28 101.10 2qpz n THR 74 Ca -0.18 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2qpz n THR 74 Cb 1.04 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 2qpz n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qpz n GLY 75 N 1.48 0.44 3.76 3.38 0.00 0.80 -4.82 105.19 110.22 2qpz n GLY 75 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2qpz n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qpz s LYS 76 N -0.61 4.26 0.02 1.61 2.20 -1.24 -0.92 119.74 125.07 2qpz s LYS 76 Ca 0.00 2.33 -0.30 0.00 -0.36 0.00 0.00 55.97 57.64 2qpz s LYS 76 Cb 0.00 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 2qpz s LYS 76 CO 0.00 -0.36 1.19 0.00 -0.36 0.00 0.00 175.35 175.82 2qpz s ALA 77 N -0.70 3.41 -0.04 3.13 0.00 -1.26 -1.41 121.76 124.89 2qpz s ALA 77 Ca 0.54 0.76 0.17 0.00 0.00 0.00 0.00 51.96 53.42 2qpz s ALA 77 Cb -0.42 -3.46 -0.26 0.00 0.00 0.00 0.00 23.12 18.98 2qpz s ALA 77 CO 0.52 -0.53 0.35 1.28 0.00 0.00 0.00 175.76 177.37 2qpz n LEU 78 N 4.35 0.00 -3.52 0.00 4.77 0.39 -4.95 117.00 118.03 2qpz n LEU 78 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2qpz n LEU 78 Cb 0.47 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2qpz n LEU 78 CO 0.55 0.03 0.46 0.00 -1.33 0.00 0.00 177.39 177.11 2qpz n ALA 80 N -0.38 0.17 1.64 0.00 0.00 -1.26 -1.72 120.51 118.95 2qpz n ALA 80 Ca -0.13 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.35 2qpz n ALA 80 Cb 0.63 -2.15 0.59 0.00 0.00 0.00 0.00 19.45 18.52 2qpz n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qpz n PRO 81 N -1.59 1.41 -2.90 0.00 -0.04 -1.26 -4.20 135.00 126.42 2qpz n PRO 81 Ca 0.14 -0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 62.59 2qpz n PRO 81 Cb 0.49 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2qpz n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qpz s VAL 82 N -1.95 4.96 0.00 0.52 -7.23 -0.70 -4.89 120.40 111.12 2qpz s VAL 82 Ca 0.37 1.71 0.00 0.00 -1.81 0.00 0.00 61.98 62.25 2qpz s VAL 82 Cb 0.19 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.97 2qpz s VAL 82 CO 0.30 0.19 0.00 0.35 -0.31 0.00 0.00 175.10 175.64 2qpz n THR 83 N 3.91 0.00 -4.02 5.32 -2.24 -1.26 -4.35 114.28 111.64 2qpz n THR 83 Ca 0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 2qpz n THR 83 Cb 0.51 0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.81 2qpz n THR 83 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2qpz s GLN 84 N -1.83 3.96 0.51 -0.78 -0.21 -1.26 -4.81 119.66 115.24 2qpz s GLN 84 Ca 0.00 -0.35 -0.22 0.00 0.02 0.00 0.00 55.36 54.81 2qpz s GLN 84 Cb 0.00 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 2qpz s GLN 84 CO 0.00 0.28 1.31 -0.80 -2.12 0.00 0.00 175.29 173.96 2qpz s ASN 85 N 0.35 5.61 0.20 5.90 0.02 -1.26 -4.65 114.94 121.10 2qpz s ASN 85 Ca 0.03 2.64 -0.17 0.00 -1.02 0.00 0.00 52.86 54.34 2qpz s ASN 85 Cb -0.12 -2.63 -0.08 0.00 0.02 0.00 0.00 41.25 38.44 2qpz s ASN 85 CO 0.00 -1.33 0.65 -0.51 0.02 0.00 0.00 177.10 175.93 2qpz s ILE 86 N -1.36 4.71 0.06 0.60 2.07 -0.09 -4.97 121.20 122.21 2qpz s ILE 86 Ca 0.68 1.05 -0.31 0.00 -1.41 0.00 0.00 60.65 60.67 2qpz s ILE 86 Cb -0.37 -3.79 -0.06 0.00 0.13 0.00 0.00 42.46 38.37 2qpz s ILE 86 CO 0.45 0.19 1.26 -0.75 -1.91 0.00 0.00 174.94 174.18 2qpz s LYS 87 N -2.04 4.39 0.18 3.50 2.20 -1.26 -4.38 119.74 122.33 2qpz s LYS 87 Ca 0.41 1.84 0.04 0.00 -0.36 0.00 0.00 55.97 57.91 2qpz s LYS 87 Cb -0.15 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2qpz s LYS 87 CO 0.20 -0.33 0.28 0.95 -0.36 0.00 0.00 175.35 176.09 2qpz s THR 88 N 1.26 5.17 -0.02 3.43 -4.23 -1.26 -1.23 115.64 118.77 2qpz s THR 88 Ca 0.60 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 2qpz s THR 88 Cb -0.31 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 69.82 2qpz s THR 88 CO 0.29 -0.17 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.78 2qpz s TYR 89 N -1.83 1.03 0.37 3.99 1.51 -0.38 -4.95 117.35 117.09 2qpz s TYR 89 Ca 0.34 -0.23 -0.28 0.00 -1.01 0.00 0.00 57.07 55.89 2qpz s TYR 89 Cb -0.10 -0.69 -0.11 0.00 -0.11 0.00 0.00 41.96 40.94 2qpz s TYR 89 CO 0.28 -0.06 1.51 -2.30 -1.11 0.00 0.00 175.55 173.87 2qpz n PRO 90 N 3.01 2.70 -5.00 -1.71 -0.02 -1.26 -4.08 135.00 128.64 2qpz n PRO 90 Ca -0.16 0.95 -0.28 0.00 -2.02 0.00 0.00 63.50 61.99 2qpz n PRO 90 Cb 0.55 -2.69 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 2qpz n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qpz s VAL 91 N -1.03 1.76 0.16 -1.45 1.01 -1.26 -1.70 120.40 117.89 2qpz s VAL 91 Ca 0.54 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2qpz s VAL 91 Cb -0.47 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2qpz s VAL 91 CO 0.63 0.43 0.09 -1.59 0.00 0.00 0.00 175.10 174.65 2qpz s LYS 92 N -0.70 1.04 -0.16 2.72 -2.85 -0.53 -4.99 119.74 114.27 2qpz s LYS 92 Ca 0.09 -1.52 -0.01 0.00 -1.00 0.00 0.00 55.97 53.53 2qpz s LYS 92 Cb -0.09 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 2qpz s LYS 92 CO -0.00 -0.31 -0.10 0.42 0.10 0.00 0.00 175.35 175.46 2qpz s ILE 93 N -4.09 3.21 -0.22 3.79 1.01 -1.26 0.04 121.20 123.68 2qpz s ILE 93 Ca 0.30 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 2qpz s ILE 93 Cb 0.07 -2.39 0.06 0.00 0.01 0.00 0.00 42.46 40.22 2qpz s ILE 93 CO 0.06 0.50 0.00 -0.70 0.00 0.00 0.00 174.94 174.80 2qpz s GLU 94 N 0.65 1.08 5.33 2.79 2.12 -0.07 -4.89 118.70 125.71 2qpz s GLU 94 Ca -0.05 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2qpz s GLU 94 Cb -0.15 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.91 2qpz s GLU 94 CO 0.02 -0.65 0.00 0.09 -0.54 0.00 0.00 175.26 174.19 2qpz n ASN 95 N 4.86 0.00 0.00 -1.70 5.03 -1.26 -1.08 115.26 121.11 2qpz n ASN 95 Ca -0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2qpz n ASN 95 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 2qpz n ASN 95 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2qpz n LEU 96 N 0.00 0.00 -4.65 3.41 0.00 -1.26 -5.08 117.00 109.42 2qpz n LEU 96 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 2qpz n LEU 96 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 2qpz n LEU 96 CO 0.00 0.00 -0.36 -0.13 0.00 0.00 0.00 177.39 176.90 2qpz s ARG 97 N 0.00 2.38 -0.20 1.96 1.81 -0.24 -1.37 118.95 123.29 2qpz s ARG 97 Ca 0.00 -0.96 -0.16 0.00 -1.72 0.00 0.00 55.73 52.89 2qpz s ARG 97 Cb 0.00 -2.43 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 2qpz s ARG 97 CO 0.00 0.51 0.41 0.08 -0.68 0.00 0.00 175.30 175.62 2qpz s VAL 98 N -1.38 5.19 0.07 3.52 1.01 0.79 -0.89 120.40 128.71 2qpz s VAL 98 Ca 0.25 0.73 0.05 0.00 0.00 0.00 0.00 61.98 63.00 2qpz s VAL 98 Cb -0.11 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2qpz s VAL 98 CO 0.17 0.24 -0.05 -0.04 0.00 0.00 0.00 175.10 175.42 2qpz s MET 99 N 1.36 2.43 0.01 2.72 1.00 0.11 0.17 119.30 127.10 2qpz s MET 99 Ca 0.19 -0.85 0.05 0.00 0.00 0.00 0.00 55.69 55.09 2qpz s MET 99 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 34.83 32.20 2qpz s MET 99 CO 0.08 0.55 -0.16 0.42 0.00 0.00 0.00 175.02 175.91 2qpz s ILE 100 N -1.18 1.27 -0.49 2.53 1.01 0.19 -1.45 121.20 123.07 2qpz s ILE 100 Ca 0.22 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 2qpz s ILE 100 Cb -0.11 -1.10 0.06 0.00 0.01 0.00 0.00 42.46 41.32 2qpz s ILE 100 CO 0.14 0.21 0.56 -0.62 0.00 0.00 0.00 174.94 175.22 2qpz s ASP 101 N -0.76 6.21 0.00 3.58 2.15 -0.69 -0.32 116.67 126.84 2qpz s ASP 101 Ca 0.05 -0.97 0.27 0.00 0.43 0.00 0.00 52.55 52.33 2qpz s ASP 101 Cb -0.07 -2.26 0.97 0.00 -0.30 0.00 0.00 42.92 41.26 2qpz s ASP 101 CO 0.00 -0.80 1.70 0.18 -0.17 0.00 0.00 175.17 176.08 2qpz n LEU 102 N 5.90 0.80 -0.83 -1.34 4.77 -1.20 -4.24 117.00 120.86 2qpz n LEU 102 Ca -0.08 -0.15 0.10 0.00 -0.03 0.00 0.00 56.01 55.85 2qpz n LEU 102 Cb 0.45 -0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2qpz n LEU 102 CO 0.52 0.15 0.58 -1.20 -1.33 0.00 0.00 177.39 176.10