#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzi s LYS 2 N 0.00 0.36 -0.14 0.00 2.36 -1.26 -5.12 119.74 115.93 2qzi s LYS 2 Ca 0.00 0.12 -0.29 0.00 -2.55 0.00 0.00 55.97 53.25 2qzi s LYS 2 Cb 0.00 0.17 -0.01 0.00 -1.05 0.00 0.00 37.83 36.94 2qzi s LYS 2 CO 0.00 -0.10 1.15 -0.51 1.55 0.00 0.00 175.35 177.43 2qzi s LEU 3 N -0.92 4.20 -0.21 5.43 2.01 -1.26 -4.28 118.68 123.65 2qzi s LEU 3 Ca 0.03 1.62 -0.04 0.00 0.01 0.00 0.00 54.13 55.75 2qzi s LEU 3 Cb -0.01 -3.55 -0.01 0.00 0.01 0.00 0.00 46.19 42.63 2qzi s LEU 3 CO -0.03 -0.64 -0.04 -0.63 1.01 0.00 0.00 176.35 176.02 2qzi s ILE 4 N 2.82 3.44 -0.14 -0.59 -1.09 -0.52 -4.99 121.20 120.13 2qzi s ILE 4 Ca 0.51 -0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 58.17 2qzi s ILE 4 Cb -0.20 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 2qzi s ILE 4 CO 0.15 0.43 1.92 0.21 -1.23 0.00 0.00 174.94 176.42 2qzi s ASN 5 N 1.29 6.10 -0.06 3.58 3.84 -1.26 -1.41 114.94 127.02 2qzi s ASN 5 Ca 0.04 2.04 0.11 0.00 0.21 0.00 0.00 52.86 55.25 2qzi s ASN 5 Cb -0.14 -2.52 0.28 0.00 -0.55 0.00 0.00 41.25 38.31 2qzi s ASN 5 CO -0.02 -1.42 1.21 0.35 -2.79 0.00 0.00 177.10 174.44 2qzi n THR 6 N 6.57 1.46 -0.27 -5.21 -2.24 0.01 -4.77 114.28 109.83 2qzi n THR 6 Ca 0.23 -1.42 0.08 0.00 -2.27 0.00 0.00 64.05 60.66 2qzi n THR 6 Cb 0.44 0.20 0.21 0.00 -2.10 0.00 0.00 70.33 69.07 2qzi n THR 6 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qzi h THR 7 N 1.12 0.39 -0.53 4.28 2.02 -1.87 -1.24 112.91 117.08 2qzi h THR 7 Ca 0.00 -0.07 0.15 0.00 0.77 0.00 0.00 66.41 67.27 2qzi h THR 7 Cb 0.89 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2qzi h THR 7 CO 0.05 0.04 0.50 4.11 0.37 0.00 0.00 175.52 180.59 2qzi h TRP 8 N 0.20 0.00 -0.29 3.16 5.08 -1.92 0.14 115.95 122.32 2qzi h TRP 8 Ca 0.46 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.32 2qzi h TRP 8 Cb 0.85 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.94 2qzi h TRP 8 CO -0.32 0.00 -0.05 0.25 -1.28 0.00 0.00 178.44 177.04 2qzi n THR 9 N -3.86 2.41 -2.57 0.12 -2.24 -0.47 -4.53 114.28 103.15 2qzi n THR 9 Ca 0.10 -2.44 -0.14 0.00 -2.27 0.00 0.00 64.05 59.30 2qzi n THR 9 Cb 0.71 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.67 2qzi n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qzi n HIS 10 N -0.95 1.98 0.12 4.78 8.25 0.51 -4.92 115.22 124.98 2qzi n HIS 10 Ca 0.28 -2.68 -0.02 0.00 -0.26 0.00 0.00 57.72 55.04 2qzi n HIS 10 Cb 0.95 -0.27 0.07 0.00 1.12 0.00 0.00 29.99 31.87 2qzi n HIS 10 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2qzi h GLN 11 N 2.71 0.00 0.31 -0.41 1.08 -1.80 -0.72 115.11 116.28 2qzi h GLN 11 Ca 0.06 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2qzi h GLN 11 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2qzi h GLN 11 CO 0.56 0.70 -0.15 0.93 -0.95 0.00 0.00 178.83 179.93 2qzi h GLU 12 N 0.00 -0.40 -0.47 1.46 5.08 -1.94 -2.07 114.58 116.24 2qzi h GLU 12 Ca -0.01 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2qzi h GLU 12 Cb 1.35 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2qzi h GLU 12 CO 0.09 -0.18 0.15 1.25 -1.00 0.00 0.00 179.01 179.32 2qzi h LEU 13 N -0.54 0.69 0.22 1.33 5.85 -1.95 0.25 115.31 121.16 2qzi h LEU 13 Ca -0.04 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2qzi h LEU 13 Cb 0.40 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2qzi h LEU 13 CO 0.07 0.71 -0.29 0.58 -0.34 0.00 0.00 178.44 179.17 2qzi h VAL 14 N 0.63 0.39 -0.48 1.05 2.07 -1.17 -1.92 116.25 116.81 2qzi h VAL 14 Ca 0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 2qzi h VAL 14 Cb 0.27 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2qzi h VAL 14 CO -0.00 0.00 0.20 0.78 0.02 0.00 0.00 177.57 178.56 2qzi h ASN 15 N -0.57 0.62 -0.66 0.57 2.35 -1.29 -0.85 115.58 115.76 2qzi h ASN 15 Ca 0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2qzi h ASN 15 Cb 0.55 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 2qzi h ASN 15 CO -0.10 0.56 0.38 0.78 -1.65 0.00 0.00 177.43 177.40 2qzi h ASN 16 N 0.69 0.81 -0.17 5.81 2.35 -0.56 -0.89 115.58 123.61 2qzi h ASN 16 Ca 0.17 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 2qzi h ASN 16 Cb 0.13 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2qzi h ASN 16 CO -0.02 0.65 -0.59 1.56 -1.65 0.00 0.00 177.43 177.39 2qzi h GLN 17 N 0.90 0.70 -0.35 0.81 1.08 -1.21 -2.60 115.11 114.44 2qzi h GLN 17 Ca 0.23 -0.53 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2qzi h GLN 17 Cb 0.01 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2qzi h GLN 17 CO -0.04 1.14 0.18 -0.07 -0.95 0.00 0.00 178.83 179.10 2qzi h LEU 18 N 0.40 0.44 -0.86 1.46 3.38 -1.04 -2.60 115.31 116.49 2qzi h LEU 18 Ca -0.02 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2qzi h LEU 18 Cb 1.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2qzi h LEU 18 CO 0.12 0.42 -0.28 0.44 0.09 0.00 0.00 178.44 179.24 2qzi h ASP 19 N 0.44 0.00 0.00 -0.43 3.32 -1.18 -3.34 116.42 115.22 2qzi h ASP 19 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2qzi h ASP 19 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2qzi h ASP 19 CO -0.02 0.28 -0.02 0.59 -1.72 0.00 0.00 179.24 178.35 2qzi n ASN 20 N -3.36 1.55 -4.11 6.45 3.02 -0.98 -5.04 115.26 112.78 2qzi n ASN 20 Ca 0.01 -1.93 -0.10 0.00 -0.03 0.00 0.00 54.58 52.52 2qzi n ASN 20 Cb 0.49 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.50 2qzi n ASN 20 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qzi s THR 21 N -0.99 0.10 -1.12 3.41 2.01 -0.98 -5.00 115.64 113.06 2qzi s THR 21 Ca 0.04 -1.81 0.17 0.00 0.31 0.00 0.00 61.69 60.41 2qzi s THR 21 Cb 0.04 -2.00 0.19 0.00 0.01 0.00 0.00 72.50 70.74 2qzi s THR 21 CO 0.00 -0.44 1.55 -0.90 -0.69 0.00 0.00 174.62 174.14 2qzi n ASP 22 N -0.11 0.00 -4.72 3.53 5.75 -1.26 -4.79 116.55 114.95 2qzi n ASP 22 Ca -0.06 0.37 -0.43 0.00 -0.01 0.00 0.00 54.79 54.66 2qzi n ASP 22 Cb 0.63 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 2qzi n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qzi n ALA 23 N -1.44 2.39 0.63 2.12 0.00 -1.26 -4.37 120.51 118.57 2qzi n ALA 23 Ca 0.05 0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.96 2qzi n ALA 23 Cb 0.19 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.12 2qzi n ALA 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2qzi n PHE 24 N 3.13 0.00 -4.46 0.00 -1.74 -0.23 -4.58 117.46 109.58 2qzi n PHE 24 Ca 0.13 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.80 2qzi n PHE 24 Cb 0.34 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.18 2qzi n PHE 24 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2qzi s LEU 25 N -2.41 1.67 -0.05 5.98 0.20 -0.94 -4.99 118.68 118.15 2qzi s LEU 25 Ca 0.07 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 2qzi s LEU 25 Cb 0.10 -0.66 0.03 0.00 -0.43 0.00 0.00 46.19 45.23 2qzi s LEU 25 CO 0.49 0.04 0.03 -0.69 -0.29 0.00 0.00 176.35 175.93 2qzi s VAL 26 N 0.46 0.11 0.05 1.68 1.01 -1.26 -1.82 120.40 120.63 2qzi s VAL 26 Ca -0.09 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2qzi s VAL 26 Cb -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2qzi s VAL 26 CO 0.02 0.19 -0.09 -1.61 0.00 0.00 0.00 175.10 173.61 2qzi s GLU 27 N 1.77 0.59 0.09 2.72 2.02 0.94 -4.94 118.70 121.90 2qzi s GLU 27 Ca 0.01 -0.79 0.10 0.00 0.02 0.00 0.00 54.97 54.31 2qzi s GLU 27 Cb -0.13 -0.42 -0.03 0.00 0.10 0.00 0.00 34.13 33.65 2qzi s GLU 27 CO -0.03 0.08 -0.26 0.95 0.02 0.00 0.00 175.26 176.02 2qzi s THR 28 N -1.32 2.25 0.00 3.63 -4.23 -1.26 -0.03 115.64 114.68 2qzi s THR 28 Ca -0.08 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 2qzi s THR 28 Cb -0.10 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.79 2qzi s THR 28 CO 0.01 0.22 0.04 -0.31 -0.54 0.00 0.00 174.62 174.04 2qzi s TYR 29 N -0.95 0.11 0.19 3.99 2.02 0.36 -0.81 117.35 122.26 2qzi s TYR 29 Ca 0.13 -0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.49 2qzi s TYR 29 Cb -0.10 -0.09 -0.07 0.00 -0.40 0.00 0.00 41.96 41.30 2qzi s TYR 29 CO 0.04 -0.17 0.55 -1.12 -1.57 0.00 0.00 175.55 173.28 2qzi s SER 30 N -1.02 6.72 -0.47 2.29 0.01 -0.50 0.27 113.70 121.00 2qzi s SER 30 Ca -0.11 1.00 0.06 0.00 1.31 0.00 0.00 55.95 58.20 2qzi s SER 30 Cb -0.07 -2.26 0.21 0.00 0.21 0.00 0.00 66.02 64.11 2qzi s SER 30 CO 0.00 0.01 0.47 0.00 0.41 0.00 0.00 173.24 174.13 2qzi n ALA 31 N 0.33 2.92 -0.47 1.44 0.00 0.29 -1.44 120.51 123.58 2qzi n ALA 31 Ca -0.02 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.85 2qzi n ALA 31 Cb 0.52 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2qzi n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qzi n GLY 32 N 2.03 3.08 0.80 0.00 0.00 -1.26 -2.40 105.19 107.43 2qzi n GLY 32 Ca 0.26 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2qzi n GLY 32 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qzi n ASN 33 N 8.60 2.45 -4.74 1.61 0.23 -1.26 -4.89 115.26 117.27 2qzi n ASN 33 Ca 0.00 -1.81 -0.41 0.00 -0.53 0.00 0.00 54.58 51.83 2qzi n ASN 33 Cb 0.00 -0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 37.60 2qzi n ASN 33 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2qzi s THR 34 N -1.89 4.33 -0.03 5.53 2.01 -1.01 -4.57 115.64 120.00 2qzi s THR 34 Ca 0.33 2.07 0.02 0.00 0.31 0.00 0.00 61.69 64.42 2qzi s THR 34 Cb 0.20 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2qzi s THR 34 CO 0.31 0.38 -0.06 -1.81 -0.69 0.00 0.00 174.62 172.74 2qzi s ASP 35 N -0.42 4.66 -0.03 3.53 1.01 0.32 -0.54 116.67 125.19 2qzi s ASP 35 Ca 0.45 -0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.67 2qzi s ASP 35 Cb -0.24 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.55 2qzi s ASP 35 CO 0.31 0.33 -0.12 -0.69 0.21 0.00 0.00 175.17 175.21 2qzi s VAL 36 N -0.90 1.00 -0.14 -1.27 1.01 0.14 -1.71 120.40 118.53 2qzi s VAL 36 Ca 0.15 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2qzi s VAL 36 Cb -0.11 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 2qzi s VAL 36 CO 0.04 0.30 -0.17 -0.69 0.00 0.00 0.00 175.10 174.59 2qzi s VAL 37 N 0.18 2.51 -0.08 2.92 1.01 -0.16 -0.48 120.40 126.31 2qzi s VAL 37 Ca -0.04 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.16 2qzi s VAL 37 Cb -0.10 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 2qzi s VAL 37 CO 0.01 0.53 -0.23 0.12 0.00 0.00 0.00 175.10 175.53 2qzi s PHE 38 N 0.74 2.36 0.05 5.22 5.36 0.95 -1.06 117.98 131.60 2qzi s PHE 38 Ca -0.07 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.07 2qzi s PHE 38 Cb -0.16 -1.57 -0.03 0.00 -0.34 0.00 0.00 43.02 40.92 2qzi s PHE 38 CO 0.01 -0.31 -0.05 0.95 -1.46 0.00 0.00 175.22 174.36 2qzi s THR 39 N 0.14 0.37 -0.01 0.12 -4.23 -0.86 -0.04 115.64 111.13 2qzi s THR 39 Ca -0.11 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 2qzi s THR 39 Cb -0.16 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.78 2qzi s THR 39 CO 0.06 -0.64 -0.18 -1.58 -0.54 0.00 0.00 174.62 171.75 2qzi s GLN 40 N -2.44 1.42 0.12 3.99 0.74 -0.75 -0.90 119.66 121.84 2qzi s GLN 40 Ca -0.04 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 54.65 2qzi s GLN 40 Cb -0.03 -1.38 -0.01 0.00 1.10 0.00 0.00 33.01 32.69 2qzi s GLN 40 CO -0.03 0.38 0.21 0.00 -0.55 0.00 0.00 175.29 175.30 2qzi s ALA 41 N -0.43 -0.01 0.16 1.58 0.00 -0.62 -1.07 121.76 121.38 2qzi s ALA 41 Ca 0.07 -0.83 -0.34 0.00 0.00 0.00 0.00 51.96 50.86 2qzi s ALA 41 Cb -0.07 0.67 -0.15 0.00 0.00 0.00 0.00 23.12 23.57 2qzi s ALA 41 CO -0.01 -0.56 1.35 -2.30 0.00 0.00 0.00 175.76 174.24 2qzi n PRO 42 N -0.12 1.55 0.00 0.00 -0.02 -1.26 -2.22 135.00 132.93 2qzi n PRO 42 Ca -0.11 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2qzi n PRO 42 Cb 0.63 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2qzi n PRO 42 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qzi n LYS 43 N 2.37 0.00 -3.62 -0.52 4.76 0.53 -4.96 118.16 116.73 2qzi n LYS 43 Ca 0.16 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.49 2qzi n LYS 43 Cb 0.25 -1.06 -0.07 0.00 -1.84 0.00 0.00 35.03 32.32 2qzi n LYS 43 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2qzi s HIS 44 N -2.70 -0.52 0.24 2.13 -3.43 -0.94 -1.05 115.29 109.02 2qzi s HIS 44 Ca 0.00 1.19 0.01 0.00 -0.80 0.00 0.00 55.06 55.47 2qzi s HIS 44 Cb 0.00 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.48 2qzi s HIS 44 CO 0.00 -0.30 0.41 0.71 -2.00 0.00 0.00 174.74 173.56 2qzi s TYR 45 N -0.07 3.48 0.00 0.38 2.02 -0.21 -1.58 117.35 121.36 2qzi s TYR 45 Ca 0.01 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.95 2qzi s TYR 45 Cb -0.04 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 2qzi s TYR 45 CO -0.03 0.35 -0.07 -1.21 -1.57 0.00 0.00 175.55 173.03 2qzi s GLU 46 N -3.73 0.51 -0.07 -0.62 0.41 -0.08 -1.31 118.70 113.81 2qzi s GLU 46 Ca 0.37 -0.33 0.04 0.00 -0.41 0.00 0.00 54.97 54.64 2qzi s GLU 46 Cb -0.10 -0.46 0.00 0.00 -1.78 0.00 0.00 34.13 31.79 2qzi s GLU 46 CO 0.31 0.12 -0.18 -0.51 -0.49 0.00 0.00 175.26 174.50 2qzi s LEU 47 N -0.42 1.89 -0.23 1.80 1.43 0.05 -2.02 118.68 121.18 2qzi s LEU 47 Ca 0.00 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2qzi s LEU 47 Cb -0.04 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 45.08 2qzi s LEU 47 CO -0.00 0.12 -0.05 -0.76 0.23 0.00 0.00 176.35 175.88 2qzi s LEU 48 N 0.38 3.03 -0.13 1.79 1.02 -0.22 -0.90 118.68 123.64 2qzi s LEU 48 Ca -0.14 -0.64 0.01 0.00 0.02 0.00 0.00 54.13 53.38 2qzi s LEU 48 Cb -0.16 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.37 2qzi s LEU 48 CO 0.06 -0.08 -0.15 -0.63 0.02 0.00 0.00 176.35 175.57 2qzi s ILE 49 N 1.40 1.55 0.11 -0.59 1.01 0.90 -0.99 121.20 124.59 2qzi s ILE 49 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2qzi s ILE 49 Cb -0.15 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.89 2qzi s ILE 49 CO -0.04 0.45 0.26 -0.94 0.00 0.00 0.00 174.94 174.68 2qzi s SER 50 N 1.29 0.01 -0.26 3.58 1.04 -0.70 -0.09 113.70 118.57 2qzi s SER 50 Ca 0.00 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 2qzi s SER 50 Cb -0.14 0.39 0.13 0.00 0.10 0.00 0.00 66.02 66.51 2qzi s SER 50 CO -0.07 -0.79 0.32 0.21 0.98 0.00 0.00 173.24 173.89 2qzi s ASN 51 N -2.86 1.12 0.40 7.02 3.84 -1.21 -0.52 114.94 122.73 2qzi s ASN 51 Ca 0.06 -0.39 0.20 0.00 0.21 0.00 0.00 52.86 52.93 2qzi s ASN 51 Cb 0.04 0.71 1.15 0.00 -0.55 0.00 0.00 41.25 42.59 2qzi s ASN 51 CO -0.10 -0.35 1.74 0.11 -2.79 0.00 0.00 177.10 175.71 2qzi h LYS 52 N 8.24 0.34 0.08 0.43 1.57 -1.90 -2.91 116.57 122.42 2qzi h LYS 52 Ca -0.15 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.29 2qzi h LYS 52 Cb 1.11 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2qzi h LYS 52 CO 0.30 0.22 -1.78 0.45 -0.57 0.00 0.00 179.45 178.08 2qzi h HIS 53 N 0.35 0.32 -4.00 -1.35 3.86 -1.96 -3.49 115.15 108.87 2qzi h HIS 53 Ca 0.64 -0.23 -0.12 0.00 -1.16 0.00 0.00 60.37 59.49 2qzi h HIS 53 Cb 1.67 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 30.01 2qzi h HIS 53 CO -0.00 1.42 -0.34 -0.98 0.86 0.00 0.00 177.93 178.89 2qzi s ARG 54 N -2.59 1.29 0.42 2.45 1.70 -1.10 -5.14 118.95 115.98 2qzi s ARG 54 Ca -0.13 -1.32 -0.25 0.00 -0.47 0.00 0.00 55.73 53.56 2qzi s ARG 54 Cb 0.07 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 2qzi s ARG 54 CO 0.81 -0.48 1.31 0.00 -1.08 0.00 0.00 175.30 175.86 2qzi s ALA 55 N -4.03 3.21 -0.10 7.88 0.00 -1.26 -4.45 121.76 123.01 2qzi s ALA 55 Ca 0.24 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 2qzi s ALA 55 Cb 0.03 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2qzi s ALA 55 CO 0.06 -0.87 0.96 0.54 0.00 0.00 0.00 175.76 176.45 2qzi s VAL 56 N -1.28 4.82 0.65 0.00 0.11 -1.26 -5.01 120.40 118.42 2qzi s VAL 56 Ca 0.58 1.94 -0.15 0.00 -2.93 0.00 0.00 61.98 61.43 2qzi s VAL 56 Cb -0.38 -4.27 -0.01 0.00 -1.53 0.00 0.00 36.38 30.19 2qzi s VAL 56 CO 0.48 0.04 1.09 -0.54 -3.33 0.00 0.00 175.10 172.84 2qzi s LYS 57 N 1.87 2.94 0.26 1.54 3.01 -1.26 -4.92 119.74 123.18 2qzi s LYS 57 Ca 0.46 1.30 -0.05 0.00 -1.01 0.00 0.00 55.97 56.67 2qzi s LYS 57 Cb -0.18 -1.98 0.30 0.00 -1.01 0.00 0.00 37.83 34.96 2qzi s LYS 57 CO 0.18 -1.12 1.90 -0.44 0.51 0.00 0.00 175.35 176.37 2qzi h ASP 58 N 0.06 1.06 0.10 2.83 3.32 -2.00 -2.29 116.42 119.51 2qzi h ASP 58 Ca -0.46 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.35 2qzi h ASP 58 Cb 1.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2qzi h ASP 58 CO 0.55 0.83 -0.58 -0.55 -1.72 0.00 0.00 179.24 177.77 2qzi h ASN 59 N 1.21 0.55 -0.38 6.45 7.08 -1.99 -2.23 115.58 126.27 2qzi h ASN 59 Ca 0.31 -0.31 0.04 0.00 -3.08 0.00 0.00 56.30 53.27 2qzi h ASN 59 Cb -0.03 -0.16 -0.04 0.00 -2.08 0.00 0.00 38.32 36.01 2qzi h ASN 59 CO -0.06 1.01 0.14 -0.08 -2.08 0.00 0.00 177.43 176.37 2qzi h GLU 60 N 0.37 0.30 -0.43 4.14 4.81 -1.93 -1.19 114.58 120.65 2qzi h GLU 60 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2qzi h GLU 60 Cb 1.12 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2qzi h GLU 60 CO 0.11 0.20 0.26 1.25 -0.73 0.00 0.00 179.01 180.09 2qzi h LEU 61 N 0.31 0.42 -0.50 1.64 6.46 -1.24 -1.24 115.31 121.15 2qzi h LEU 61 Ca 0.17 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 2qzi h LEU 61 Cb 0.14 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 2qzi h LEU 61 CO -0.17 0.30 0.07 -0.33 -0.62 0.00 0.00 178.44 177.69 2qzi h GLU 62 N 0.52 0.83 -0.79 1.25 3.07 -1.19 -0.54 114.58 117.73 2qzi h GLU 62 Ca 0.17 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 2qzi h GLU 62 Cb 0.00 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 2qzi h GLU 62 CO -0.08 0.83 0.31 0.28 -1.40 0.00 0.00 179.01 178.96 2qzi h VAL 63 N 0.71 1.26 -0.20 3.13 2.07 -1.10 -1.04 116.25 121.09 2qzi h VAL 63 Ca 0.15 -0.84 -0.19 0.00 0.82 0.00 0.00 66.70 66.64 2qzi h VAL 63 Cb 0.41 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2qzi h VAL 63 CO 0.01 0.34 -0.62 0.40 0.02 0.00 0.00 177.57 177.72 2qzi h ILE 64 N 1.16 1.29 -0.02 4.57 2.04 -0.90 -1.77 117.51 123.87 2qzi h ILE 64 Ca 0.26 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2qzi h ILE 64 Cb 0.23 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2qzi h ILE 64 CO -0.02 0.58 0.01 -0.09 0.00 0.00 0.00 178.15 178.63 2qzi h ARG 65 N 0.51 0.03 0.00 2.37 2.43 -1.05 -2.47 114.38 116.18 2qzi h ARG 65 Ca -0.02 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2qzi h ARG 65 Cb 1.25 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2qzi h ARG 65 CO 0.13 0.04 -0.51 0.93 -1.51 0.00 0.00 179.97 179.06 2qzi h GLU 66 N -0.00 0.00 -0.26 0.20 4.39 -1.12 -1.84 114.58 115.94 2qzi h GLU 66 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qzi h GLU 66 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2qzi h GLU 66 CO -0.00 0.51 0.15 0.35 -1.16 0.00 0.00 179.01 178.85 2qzi h PHE 67 N 0.00 0.35 -0.51 4.33 3.57 -1.18 -1.44 116.94 122.06 2qzi h PHE 67 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 2qzi h PHE 67 Cb 1.10 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2qzi h PHE 67 CO 0.00 0.29 -0.16 0.74 -2.23 0.00 0.00 178.31 176.94 2qzi h PHE 68 N 0.31 1.15 -0.25 0.41 0.04 -1.23 -0.90 116.94 116.46 2qzi h PHE 68 Ca 0.09 -0.26 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 2qzi h PHE 68 Cb 0.05 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 2qzi h PHE 68 CO -0.04 1.09 -0.22 -0.07 -0.60 0.00 0.00 178.31 178.47 2qzi h LEU 69 N 0.89 0.45 0.12 1.54 3.38 -1.32 0.24 115.31 120.61 2qzi h LEU 69 Ca 0.13 -0.14 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 2qzi h LEU 69 Cb 0.74 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qzi h LEU 69 CO 0.06 0.68 -1.37 0.50 0.09 0.00 0.00 178.44 178.39 2qzi h LYS 70 N 0.41 0.26 0.00 1.13 3.64 -1.09 -3.40 116.57 117.52 2qzi h LYS 70 Ca 0.07 -0.45 -0.13 0.00 -1.27 0.00 0.00 60.65 58.86 2qzi h LYS 70 Cb 0.61 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2qzi h LYS 70 CO 0.04 1.17 -1.61 0.54 -2.27 0.00 0.00 179.45 177.33 2qzi n ARG 71 N -3.50 1.96 0.00 1.90 5.12 -0.36 -4.85 116.66 116.93 2qzi n ARG 71 Ca -0.12 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 2qzi n ARG 71 Cb 1.03 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 31.09 2qzi n ARG 71 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2qzi n LYS 72 N -2.23 2.11 -4.39 5.56 4.76 0.72 -5.03 118.16 119.66 2qzi n LYS 72 Ca -0.12 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.98 2qzi n LYS 72 Cb 0.68 -0.88 -0.11 0.00 -1.84 0.00 0.00 35.03 32.88 2qzi n LYS 72 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2qzi s ILE 73 N -1.63 4.07 -0.50 -0.18 1.01 -0.50 -5.03 121.20 118.44 2qzi s ILE 73 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 2qzi s ILE 73 Cb 0.00 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.76 2qzi s ILE 73 CO 0.00 0.53 0.77 -0.62 0.00 0.00 0.00 174.94 175.63 2qzi s ASP 74 N -0.13 6.32 0.45 3.58 -1.08 -1.26 -4.84 116.67 119.71 2qzi s ASP 74 Ca 0.03 -0.45 0.25 0.00 -0.52 0.00 0.00 52.55 51.86 2qzi s ASP 74 Cb -0.13 -2.37 0.75 0.00 -1.46 0.00 0.00 42.92 39.72 2qzi s ASP 74 CO 0.02 -1.00 1.75 0.11 0.52 0.00 0.00 175.17 176.58 2qzi h LYS 75 N 9.08 0.00 -0.52 4.34 1.57 -1.94 -2.92 116.57 126.19 2qzi h LYS 75 Ca -0.26 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2qzi h LYS 75 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2qzi h LYS 75 CO 0.99 0.15 0.35 0.22 -0.57 0.00 0.00 179.45 180.59 2qzi h ASP 76 N 0.00 0.33 -0.01 0.86 3.58 -2.01 -2.10 116.42 117.07 2qzi h ASP 76 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2qzi h ASP 76 Cb 0.85 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2qzi h ASP 76 CO 0.02 0.20 -0.52 2.30 -2.88 0.00 0.00 179.24 178.37 2qzi n ILE 77 N -4.47 0.00 -3.15 2.25 -5.35 -1.11 -4.96 119.36 102.58 2qzi n ILE 77 Ca 0.08 -0.24 -0.37 0.00 -0.27 0.00 0.00 62.75 61.95 2qzi n ILE 77 Cb 0.32 1.22 -0.06 0.00 -1.74 0.00 0.00 39.64 39.38 2qzi n ILE 77 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qzi s VAL 78 N -2.52 4.60 0.41 7.28 0.11 -0.79 -0.48 120.40 129.01 2qzi s VAL 78 Ca 0.18 1.31 -0.09 0.00 -2.93 0.00 0.00 61.98 60.45 2qzi s VAL 78 Cb 0.18 -3.92 -0.06 0.00 -1.53 0.00 0.00 36.38 31.05 2qzi s VAL 78 CO 0.60 0.37 0.75 -0.76 -3.33 0.00 0.00 175.10 172.73 2qzi s LEU 79 N -1.57 3.82 0.00 2.54 1.02 0.25 -4.91 118.68 119.82 2qzi s LEU 79 Ca 0.37 1.05 0.00 0.00 0.02 0.00 0.00 54.13 55.57 2qzi s LEU 79 Cb -0.19 -3.94 0.00 0.00 0.02 0.00 0.00 46.19 42.09 2qzi s LEU 79 CO 0.21 -0.41 0.00 -0.90 0.02 0.00 0.00 176.35 175.27 2qzi n ASP 81 N -1.44 0.00 -0.10 2.29 5.75 -1.26 -3.44 116.55 118.34 2qzi n ASP 81 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.87 2qzi n ASP 81 Cb 0.54 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.73 2qzi n ASP 81 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qzi n LYS 82 N 0.00 1.38 -1.78 0.11 4.76 -1.26 -5.05 118.16 116.32 2qzi n LYS 82 Ca 0.00 -2.19 -0.41 0.00 -2.87 0.00 0.00 58.31 52.84 2qzi n LYS 82 Cb 0.00 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2qzi n LYS 82 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qzi n LEU 83 N -1.10 4.80 -3.97 -0.35 4.77 -1.22 -4.57 117.00 115.36 2qzi n LEU 83 Ca 0.11 1.23 -0.26 0.00 -0.03 0.00 0.00 56.01 57.06 2qzi n LEU 83 Cb 0.58 -1.62 -0.17 0.00 -2.33 0.00 0.00 43.42 39.88 2qzi n LEU 83 CO 0.01 0.16 -0.46 -0.60 -1.33 0.00 0.00 177.39 175.17 2qzi s ARG 84 N -2.11 1.64 -0.16 3.23 3.52 -0.88 -5.00 118.95 119.19 2qzi s ARG 84 Ca 0.53 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 2qzi s ARG 84 Cb -0.47 -1.51 0.02 0.00 -1.56 0.00 0.00 34.95 31.43 2qzi s ARG 84 CO 0.64 -0.12 -0.14 0.99 -0.81 0.00 0.00 175.30 175.85 2qzi s THR 85 N 1.18 1.62 -0.27 4.11 2.01 -1.26 -0.81 115.64 122.22 2qzi s THR 85 Ca -0.05 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 2qzi s THR 85 Cb -0.14 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 2qzi s THR 85 CO -0.02 0.45 0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 2qzi s VAL 86 N 1.46 4.17 -0.30 3.82 1.01 0.70 -4.96 120.40 126.30 2qzi s VAL 86 Ca 0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2qzi s VAL 86 Cb -0.13 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2qzi s VAL 86 CO -0.11 0.21 0.13 -1.00 0.00 0.00 0.00 175.10 174.33 2qzi s HIS 87 N 1.57 3.16 0.29 5.22 3.76 -1.26 -1.63 115.29 126.39 2qzi s HIS 87 Ca 0.05 -0.58 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 2qzi s HIS 87 Cb -0.16 -2.32 -0.00 0.00 1.11 0.00 0.00 32.58 31.21 2qzi s HIS 87 CO 0.03 -0.45 0.02 0.25 -0.85 0.00 0.00 174.74 173.74 2qzi n THR 88 N 4.96 0.00 0.01 1.30 -2.24 0.50 -5.03 114.28 113.77 2qzi n THR 88 Ca -0.14 -1.44 -0.13 0.00 -2.27 0.00 0.00 64.05 60.06 2qzi n THR 88 Cb 0.49 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.00 2qzi n THR 88 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2qzi h ASP 89 N 0.79 -1.38 0.00 3.42 3.58 -2.02 -2.56 116.42 118.25 2qzi h ASP 89 Ca -0.24 0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2qzi h ASP 89 Cb 0.76 0.55 -0.07 0.00 1.72 0.00 0.00 39.33 42.29 2qzi h ASP 89 CO 0.39 -0.45 -0.48 0.29 -2.88 0.00 0.00 179.24 176.11 2qzi n LYS 90 N -5.44 1.06 -3.75 0.28 5.02 -1.26 -4.70 118.16 109.36 2qzi n LYS 90 Ca -0.05 -2.66 -0.14 0.00 -2.02 0.00 0.00 58.31 53.44 2qzi n LYS 90 Cb 0.37 -1.17 -0.15 0.00 -0.02 0.00 0.00 35.03 34.05 2qzi n LYS 90 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qzi s LEU 91 N -2.22 0.82 -0.08 -0.35 2.96 -0.96 -3.32 118.68 115.53 2qzi s LEU 91 Ca 0.32 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.48 2qzi s LEU 91 Cb 0.32 0.21 -0.00 0.00 0.50 0.00 0.00 46.19 47.21 2qzi s LEU 91 CO -0.06 -0.14 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.98 2qzi s ILE 92 N 1.17 1.88 -0.22 6.68 1.01 0.88 -0.37 121.20 132.22 2qzi s ILE 92 Ca -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2qzi s ILE 92 Cb -0.12 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.78 2qzi s ILE 92 CO -0.05 0.52 -0.12 -1.61 0.00 0.00 0.00 174.94 173.69 2qzi s GLU 93 N 0.21 2.21 -0.18 2.79 2.02 -0.65 -0.07 118.70 125.04 2qzi s GLU 93 Ca -0.13 -0.99 -0.03 0.00 0.02 0.00 0.00 54.97 53.84 2qzi s GLU 93 Cb -0.16 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 2qzi s GLU 93 CO 0.06 -0.45 -0.06 0.42 0.02 0.00 0.00 175.26 175.25 2qzi s ILE 94 N 1.30 3.42 -0.12 -1.63 1.01 -0.08 -0.22 121.20 124.88 2qzi s ILE 94 Ca -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 2qzi s ILE 94 Cb -0.17 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 2qzi s ILE 94 CO -0.08 0.47 -0.03 -0.44 0.00 0.00 0.00 174.94 174.86 2qzi s SER 95 N 0.90 4.95 -0.40 3.58 0.01 0.01 -0.77 113.70 121.99 2qzi s SER 95 Ca -0.01 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.28 2qzi s SER 95 Cb -0.15 -1.56 0.11 0.00 0.21 0.00 0.00 66.02 64.63 2qzi s SER 95 CO 0.01 0.28 0.13 -0.36 0.41 0.00 0.00 173.24 173.70 2qzi s PHE 96 N -0.28 3.33 0.73 2.43 0.08 -0.42 -2.08 117.98 121.77 2qzi s PHE 96 Ca 0.05 -2.93 -0.14 0.00 0.12 0.00 0.00 56.93 54.03 2qzi s PHE 96 Cb -0.12 -2.75 0.04 0.00 -0.57 0.00 0.00 43.02 39.62 2qzi s PHE 96 CO 0.02 -0.87 1.16 -2.14 -0.10 0.00 0.00 175.22 173.29 2qzi s PRO 97 N 0.55 2.24 0.07 0.24 0.02 -1.26 -1.05 135.00 135.82 2qzi s PRO 97 Ca 0.13 1.57 0.02 0.00 0.02 0.00 0.00 61.00 62.73 2qzi s PRO 97 Cb -0.21 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 2qzi s PRO 97 CO -0.06 -1.71 -0.07 0.95 -0.33 0.00 0.00 177.00 175.78 2qzi s THR 98 N -2.25 0.58 0.11 0.99 -4.23 -0.21 -0.58 115.64 110.05 2qzi s THR 98 Ca 0.70 -1.58 -0.20 0.00 -1.18 0.00 0.00 61.69 59.43 2qzi s THR 98 Cb -0.25 -1.24 -0.08 0.00 1.34 0.00 0.00 72.50 72.28 2qzi s THR 98 CO 0.46 -0.70 1.75 0.71 -0.54 0.00 0.00 174.62 176.30 2qzi h THR 99 N 3.59 1.07 -0.02 3.99 1.35 -1.10 -3.41 112.91 118.37 2qzi h THR 99 Ca -0.35 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2qzi h THR 99 Cb 1.18 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2qzi h THR 99 CO 0.55 0.07 0.00 1.33 -0.25 0.00 0.00 175.52 177.22