#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n ARG 3 N 0.00 -2.12 -3.39 1.43 1.74 -1.26 -4.86 116.66 108.20 2qbk n ARG 3 Ca 0.00 0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.74 2qbk n ARG 3 Cb 0.00 -3.88 -0.06 0.00 -1.02 0.00 0.00 32.46 27.50 2qbk n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qbk s VAL 4 N -2.06 5.22 0.44 1.55 -7.23 -1.26 -4.48 120.40 112.58 2qbk s VAL 4 Ca 0.21 0.83 0.21 0.00 -1.81 0.00 0.00 61.98 61.42 2qbk s VAL 4 Cb -0.12 -3.76 0.41 0.00 0.56 0.00 0.00 36.38 33.47 2qbk s VAL 4 CO 0.26 0.36 1.84 0.00 -0.31 0.00 0.00 175.10 177.25 2qbk n GLN 6 N -4.47 0.00 0.01 0.00 7.27 -1.26 -3.79 117.38 115.14 2qbk n GLN 6 Ca 0.20 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.12 2qbk n GLN 6 Cb 0.81 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.41 2qbk n GLN 6 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 2qbk h VAL 7 N 0.00 1.31 -0.00 1.69 3.04 -1.87 -3.34 116.25 117.08 2qbk h VAL 7 Ca 0.00 -2.08 0.00 0.00 -1.01 0.00 0.00 66.70 63.61 2qbk h VAL 7 Cb 0.00 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2qbk h VAL 7 CO 0.00 0.65 -0.11 0.35 -1.01 0.00 0.00 177.57 177.44 2qbk n THR 8 N -3.89 0.00 -0.98 3.17 -2.24 -1.26 -5.01 114.28 104.07 2qbk n THR 8 Ca -0.07 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2qbk n THR 8 Cb 0.76 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 2qbk n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbk n GLY 9 N 1.01 0.54 3.58 3.38 0.00 -1.26 -4.96 105.19 107.49 2qbk n GLY 9 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2qbk n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 10 N -2.34 1.79 -3.38 1.61 5.02 -1.26 -4.49 118.16 115.11 2qbk n LYS 10 Ca 0.00 0.56 -0.20 0.00 -2.02 0.00 0.00 58.31 56.65 2qbk n LYS 10 Cb 0.05 -2.79 -0.00 0.00 -0.02 0.00 0.00 35.03 32.27 2qbk n LYS 10 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qbk s ARG 11 N 5.50 2.54 -0.45 1.97 0.52 -1.26 -1.55 118.95 126.22 2qbk s ARG 11 Ca 1.01 -1.54 -0.28 0.00 -0.52 0.00 0.00 55.73 54.40 2qbk s ARG 11 Cb -0.62 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 32.39 2qbk s ARG 11 CO 0.45 -0.38 1.05 -1.25 0.02 0.00 0.00 175.30 175.20 2qbk s PRO 12 N -4.29 3.70 0.69 3.54 0.04 -1.26 -4.51 135.00 132.90 2qbk s PRO 12 Ca 0.50 0.48 -0.08 0.00 0.04 0.00 0.00 61.00 61.94 2qbk s PRO 12 Cb -0.05 -3.89 0.05 0.00 0.04 0.00 0.00 34.50 30.64 2qbk s PRO 12 CO 0.30 -1.27 1.02 0.14 0.04 0.00 0.00 177.00 177.22 2qbk s VAL 13 N 4.12 2.69 0.44 -0.36 -7.23 -1.05 -4.81 120.40 114.21 2qbk s VAL 13 Ca 0.44 -0.09 0.07 0.00 -1.81 0.00 0.00 61.98 60.59 2qbk s VAL 13 Cb -0.09 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.69 2qbk s VAL 13 CO 0.28 -0.18 0.38 0.42 -0.31 0.00 0.00 175.10 175.69 2qbk s THR 14 N -3.24 2.43 -0.09 5.32 -4.23 -1.26 0.58 115.64 115.15 2qbk s THR 14 Ca 0.59 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 2qbk s THR 14 Cb -0.11 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2qbk s THR 14 CO 0.46 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 2qbk n GLY 15 N -1.58 -0.79 2.98 3.99 0.00 -1.25 -4.76 105.19 103.78 2qbk n GLY 15 Ca 0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 2qbk n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbk s ASN 16 N -4.00 0.31 0.44 1.61 0.01 -1.26 -1.51 114.94 110.54 2qbk s ASN 16 Ca 0.00 -0.46 0.25 0.00 -0.71 0.00 0.00 52.86 51.94 2qbk s ASN 16 Cb 0.00 0.08 0.56 0.00 0.41 0.00 0.00 41.25 42.31 2qbk s ASN 16 CO 0.00 -0.26 1.69 0.78 -1.51 0.00 0.00 177.10 177.80 2qbk h ASN 17 N 4.76 0.00 -6.73 -1.22 2.35 -0.04 -3.46 115.58 111.25 2qbk h ASN 17 Ca -0.32 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.33 2qbk h ASN 17 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2qbk h ASN 17 CO 0.42 0.00 -0.19 -1.14 -1.65 0.00 0.00 177.43 174.87 2qbk n ARG 18 N -3.01 -0.71 -0.22 0.81 0.63 -1.06 -4.85 116.66 108.25 2qbk n ARG 18 Ca 0.04 -0.25 -0.24 0.00 -0.92 0.00 0.00 57.85 56.47 2qbk n ARG 18 Cb 0.48 0.12 0.23 0.00 0.45 0.00 0.00 32.46 33.75 2qbk n ARG 18 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2qbk n SER 19 N 0.25 -3.64 -4.36 6.15 3.41 -0.92 -4.62 113.62 109.90 2qbk n SER 19 Ca -0.03 -0.73 -0.30 0.00 -0.26 0.00 0.00 58.87 57.55 2qbk n SER 19 Cb 0.11 -0.80 0.21 0.00 -0.26 0.00 0.00 64.21 63.47 2qbk n SER 19 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2qbk n HIS 20 N -5.23 -1.40 -1.07 7.33 -0.00 -1.26 -2.23 115.22 111.36 2qbk n HIS 20 Ca 0.11 -0.01 -0.02 0.00 0.46 0.00 0.00 57.72 58.26 2qbk n HIS 20 Cb 0.48 -1.62 -0.01 0.00 -0.12 0.00 0.00 29.99 28.72 2qbk n HIS 20 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2qbk n ALA 21 N -4.71 -0.03 -3.95 1.57 0.00 -1.26 -3.22 120.51 108.91 2qbk n ALA 21 Ca 0.01 0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.21 2qbk n ALA 21 Cb 0.59 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2qbk n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbk n LEU 22 N -0.26 -2.39 -4.65 0.00 4.77 -0.95 -4.93 117.00 108.59 2qbk n LEU 22 Ca -0.02 -0.90 -0.41 0.00 -0.03 0.00 0.00 56.01 54.64 2qbk n LEU 22 Cb 0.34 -2.38 -0.05 0.00 -2.33 0.00 0.00 43.42 39.00 2qbk n LEU 22 CO 0.03 0.41 0.55 0.20 -1.33 0.00 0.00 177.39 177.26 2qbk s ASN 23 N -3.84 6.82 -0.08 -1.43 0.01 -1.12 -4.91 114.94 110.38 2qbk s ASN 23 Ca 0.34 1.01 -0.30 0.00 -0.71 0.00 0.00 52.86 53.21 2qbk s ASN 23 Cb -0.18 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 2qbk s ASN 23 CO 0.86 -0.41 1.07 0.00 -1.51 0.00 0.00 177.10 177.12 2qbk s ALA 24 N 2.36 3.42 -0.30 0.60 0.00 -1.26 -2.16 121.76 124.42 2qbk s ALA 24 Ca 0.34 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 2qbk s ALA 24 Cb -0.16 -3.46 0.10 0.00 0.00 0.00 0.00 23.12 19.61 2qbk s ALA 24 CO 0.10 -0.64 0.12 0.99 0.00 0.00 0.00 175.76 176.33 2qbk s THR 25 N 2.03 0.33 0.28 0.00 2.01 -1.26 -4.86 115.64 114.17 2qbk s THR 25 Ca 0.51 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2qbk s THR 25 Cb -0.21 -1.27 -0.14 0.00 0.01 0.00 0.00 72.50 70.90 2qbk s THR 25 CO 0.20 -0.72 1.16 0.29 -0.69 0.00 0.00 174.62 174.86 2qbk n LYS 26 N 5.02 1.65 0.00 4.92 4.76 -1.26 0.68 118.16 133.93 2qbk n LYS 26 Ca -0.04 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 2qbk n LYS 26 Cb 0.42 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 2qbk n LYS 26 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2qbk n ARG 27 N 0.98 0.00 -3.64 1.97 1.85 -0.57 -4.79 116.66 112.46 2qbk n ARG 27 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.91 2qbk n ARG 27 Cb 0.32 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.68 2qbk n ARG 27 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2qbk s ARG 28 N 4.70 0.10 -0.47 2.89 1.70 -1.26 -3.82 118.95 122.79 2qbk s ARG 28 Ca 0.00 0.04 0.01 0.00 -0.47 0.00 0.00 55.73 55.32 2qbk s ARG 28 Cb 0.00 0.05 0.12 0.00 -0.57 0.00 0.00 34.95 34.55 2qbk s ARG 28 CO 0.00 -0.03 0.23 -0.06 -1.08 0.00 0.00 175.30 174.36 2qbk s PHE 29 N -0.80 3.47 0.28 5.89 0.40 0.20 -4.93 117.98 122.49 2qbk s PHE 29 Ca 0.08 -2.89 -0.23 0.00 -0.60 0.00 0.00 56.93 53.28 2qbk s PHE 29 Cb -0.02 -3.01 -0.09 0.00 0.51 0.00 0.00 43.02 40.42 2qbk s PHE 29 CO -0.09 -0.86 0.85 -0.48 0.70 0.00 0.00 175.22 175.34 2qbk s LEU 30 N 0.35 4.35 0.00 -0.37 2.34 -1.26 -2.52 118.68 121.57 2qbk s LEU 30 Ca 0.14 1.66 0.00 0.00 0.06 0.00 0.00 54.13 55.99 2qbk s LEU 30 Cb -0.22 -3.82 0.00 0.00 -0.56 0.00 0.00 46.19 41.59 2qbk s LEU 30 CO -0.04 -0.02 0.00 -2.65 -1.06 0.00 0.00 176.35 172.59 2qbk n PRO 31 N 0.66 -0.44 -0.04 1.48 -0.02 -1.26 -4.99 135.00 130.40 2qbk n PRO 31 Ca -0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 2qbk n PRO 31 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.97 2qbk n PRO 31 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2qbk n ASN 32 N -1.80 0.86 -1.20 2.55 2.85 -1.26 -5.06 115.26 112.20 2qbk n ASN 32 Ca 0.00 0.32 0.03 0.00 -0.11 0.00 0.00 54.58 54.82 2qbk n ASN 32 Cb 0.00 -0.65 -0.01 0.00 1.24 0.00 0.00 39.78 40.36 2qbk n ASN 32 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2qbk n LEU 33 N -3.37 -0.74 0.00 1.20 4.32 -1.25 -4.83 117.00 112.32 2qbk n LEU 33 Ca -0.05 1.37 0.00 0.00 -0.02 0.00 0.00 56.01 57.31 2qbk n LEU 33 Cb 0.17 -2.34 0.00 0.00 -1.62 0.00 0.00 43.42 39.63 2qbk n LEU 33 CO 0.07 -0.62 0.00 1.41 -1.22 0.00 0.00 177.39 177.03 2qbk n HIS 34 N -2.74 0.00 -2.83 -1.77 8.25 0.00 -4.79 115.22 111.35 2qbk n HIS 34 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 2qbk n HIS 34 Cb 0.27 0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 2qbk n HIS 34 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2qbk n SER 35 N 0.00 -4.68 -4.91 0.41 3.41 -1.20 -4.88 113.62 101.78 2qbk n SER 35 Ca 0.00 1.15 -0.30 0.00 -0.26 0.00 0.00 58.87 59.45 2qbk n SER 35 Cb 0.05 -3.87 -0.04 0.00 -0.26 0.00 0.00 64.21 60.09 2qbk n SER 35 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2qbk s HIS 36 N -0.77 3.48 -0.70 7.33 2.46 -0.48 -4.84 115.29 121.78 2qbk s HIS 36 Ca -0.12 0.22 -0.23 0.00 0.47 0.00 0.00 55.06 55.40 2qbk s HIS 36 Cb 0.01 -1.74 0.07 0.00 -0.13 0.00 0.00 32.58 30.79 2qbk s HIS 36 CO 0.49 0.58 1.04 1.03 -2.47 0.00 0.00 174.74 175.40 2qbk s ARG 37 N -2.57 3.16 -0.05 2.88 1.81 -1.26 -3.09 118.95 119.83 2qbk s ARG 37 Ca 0.34 -0.80 -0.14 0.00 -1.72 0.00 0.00 55.73 53.41 2qbk s ARG 37 Cb -0.13 -4.29 -0.05 0.00 -0.45 0.00 0.00 34.95 30.03 2qbk s ARG 37 CO 0.27 -1.88 0.36 -0.06 -0.68 0.00 0.00 175.30 173.32 2qbk s PHE 38 N 4.27 3.66 -0.92 -0.53 0.08 -0.91 -5.00 117.98 118.62 2qbk s PHE 38 Ca 0.25 0.87 -0.19 0.00 0.12 0.00 0.00 56.93 57.99 2qbk s PHE 38 Cb -0.14 -2.27 0.13 0.00 -0.57 0.00 0.00 43.02 40.16 2qbk s PHE 38 CO 0.09 0.56 1.11 -0.46 -0.10 0.00 0.00 175.22 176.43 2qbk s TRP 39 N -0.71 3.10 0.65 0.36 -0.00 -1.26 -3.40 118.94 117.68 2qbk s TRP 39 Ca 0.22 -1.36 0.23 0.00 -0.00 0.00 0.00 56.10 55.20 2qbk s TRP 39 Cb -0.15 -4.28 1.22 0.00 -0.00 0.00 0.00 33.47 30.26 2qbk s TRP 39 CO 0.11 -1.49 1.69 -0.39 -0.00 0.00 0.00 176.95 176.86 2qbk h VAL 40 N 5.84 0.06 0.00 5.86 -1.51 -1.86 -3.43 116.25 121.21 2qbk h VAL 40 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.60 2qbk h VAL 40 Cb 1.03 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2qbk h VAL 40 CO 1.11 0.00 0.00 1.21 -1.23 0.00 0.00 177.57 178.66 2qbk n GLU 41 N -2.97 0.00 0.06 5.19 0.00 -1.26 -2.98 120.64 118.68 2qbk n GLU 41 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.05 2qbk n GLU 41 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 32.00 2qbk n GLU 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2qbk h SER 42 N 0.00 -1.17 0.20 4.31 4.64 -1.98 0.64 113.55 120.19 2qbk h SER 42 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2qbk h SER 42 Cb 0.00 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2qbk h SER 42 CO 0.00 -0.44 0.00 1.21 -0.87 0.00 0.00 176.83 176.73 2qbk n GLU 43 N -5.44 0.00 0.00 4.77 2.13 -1.16 -4.79 120.64 116.15 2qbk n GLU 43 Ca -0.06 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.16 2qbk n GLU 43 Cb 0.36 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.57 2qbk n GLU 43 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qbk n LYS 44 N -1.50 0.00 0.00 5.31 3.00 0.22 -4.87 118.16 120.32 2qbk n LYS 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2qbk n LYS 44 Cb 0.07 -3.48 0.00 0.00 0.00 0.00 0.00 35.03 31.62 2qbk n LYS 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2qbk n ARG 45 N -1.77 0.00 0.00 1.64 0.63 -1.26 -4.79 116.66 111.11 2qbk n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qbk n ARG 45 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qbk n ARG 45 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2qbk n PHE 46 N 0.00 0.00 -1.38 -0.14 -0.00 -1.26 -4.57 117.46 110.11 2qbk n PHE 46 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 2qbk n PHE 46 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2qbk n PHE 46 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2qbk n VAL 47 N 0.00 1.29 -3.70 -2.13 0.24 -1.22 -4.40 118.33 108.41 2qbk n VAL 47 Ca 0.00 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.53 2qbk n VAL 47 Cb 0.00 -0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 31.99 2qbk n VAL 47 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2qbk s THR 48 N -1.48 0.36 0.30 3.34 -1.32 -1.26 -2.14 115.64 113.42 2qbk s THR 48 Ca 0.61 -0.47 0.07 0.00 -1.21 0.00 0.00 61.69 60.69 2qbk s THR 48 Cb -0.67 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 69.36 2qbk s THR 48 CO 0.60 -0.25 0.24 -1.48 -2.21 0.00 0.00 174.62 171.52 2qbk s LEU 49 N 1.93 3.67 -1.26 9.08 0.05 -1.18 -4.90 118.68 126.07 2qbk s LEU 49 Ca 0.00 -0.41 -0.18 0.00 0.05 0.00 0.00 54.13 53.60 2qbk s LEU 49 Cb -0.17 -2.24 0.09 0.00 -2.05 0.00 0.00 46.19 41.82 2qbk s LEU 49 CO -0.09 -0.21 1.66 -0.60 -0.55 0.00 0.00 176.35 176.56 2qbk s ARG 50 N -3.92 3.97 0.43 1.48 3.52 -1.26 -1.38 118.95 121.79 2qbk s ARG 50 Ca 0.37 -2.03 -0.16 0.00 -0.13 0.00 0.00 55.73 53.78 2qbk s ARG 50 Cb -0.07 -5.44 -0.09 0.00 -1.56 0.00 0.00 34.95 27.80 2qbk s ARG 50 CO 0.26 -2.17 0.87 0.08 -0.81 0.00 0.00 175.30 173.53 2qbk s VAL 51 N 3.82 4.58 0.04 7.11 1.01 -1.26 -4.29 120.40 131.41 2qbk s VAL 51 Ca 0.51 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.62 2qbk s VAL 51 Cb 0.02 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2qbk s VAL 51 CO 0.05 -0.44 0.05 -0.94 0.00 0.00 0.00 175.10 173.82 2qbk s SER 52 N -2.67 5.37 0.75 3.32 1.04 -1.25 -0.82 113.70 119.44 2qbk s SER 52 Ca 0.57 -0.00 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 2qbk s SER 52 Cb -0.10 -1.43 -0.06 0.00 0.10 0.00 0.00 66.02 64.53 2qbk s SER 52 CO 0.23 0.22 0.23 0.00 0.98 0.00 0.00 173.24 174.91 2qbk n ALA 53 N 0.86 -2.40 0.00 5.32 0.00 -1.26 -1.03 120.51 122.00 2qbk n ALA 53 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2qbk n ALA 53 Cb 0.52 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2qbk n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbk n LYS 54 N -0.03 0.00 0.33 0.00 0.00 -1.26 -4.31 118.16 112.90 2qbk n LYS 54 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 58.31 58.58 2qbk n LYS 54 Cb 0.51 -0.08 1.02 0.00 0.00 0.00 0.00 35.03 36.48 2qbk n LYS 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2qbk h GLY 55 N 0.00 0.00 1.05 3.14 0.00 -1.50 0.51 103.07 106.27 2qbk h GLY 55 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2qbk h GLY 55 CO 0.00 0.00 -0.88 -0.33 0.00 0.00 0.00 176.54 175.33 2qbk h MET 56 N 0.00 0.60 -0.61 4.80 2.86 -1.65 -2.97 114.93 117.96 2qbk h MET 56 Ca 0.00 -0.64 0.18 0.00 -2.06 0.00 0.00 59.70 57.18 2qbk h MET 56 Cb 0.29 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2qbk h MET 56 CO 0.00 1.25 0.63 0.00 1.06 0.00 0.00 176.91 179.84 2qbk h ARG 57 N 0.21 0.00 0.26 1.72 3.08 -0.29 0.38 114.38 119.74 2qbk h ARG 57 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2qbk h ARG 57 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2qbk h ARG 57 CO 0.17 0.00 -0.12 0.28 -1.07 0.00 0.00 179.97 179.23 2qbk h VAL 58 N 0.00 0.76 -0.43 2.04 2.07 -1.36 -2.26 116.25 117.06 2qbk h VAL 58 Ca 0.29 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 67.17 2qbk h VAL 58 Cb 1.54 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 2qbk h VAL 58 CO -0.00 0.14 -0.08 0.40 0.02 0.00 0.00 177.57 178.05 2qbk h ILE 59 N -0.76 0.59 0.00 4.57 1.08 -0.34 1.15 117.51 123.81 2qbk h ILE 59 Ca -0.04 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2qbk h ILE 59 Cb 0.50 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2qbk h ILE 59 CO 0.06 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 177.99 2qbk n ASP 60 N -5.30 0.00 -0.04 1.72 8.00 -0.49 -1.25 116.55 119.20 2qbk n ASP 60 Ca 0.03 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.76 2qbk n ASP 60 Cb 0.23 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2qbk n ASP 60 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2qbk n LYS 61 N -1.38 0.23 -0.04 -1.24 4.81 0.16 -4.82 118.16 115.88 2qbk n LYS 61 Ca 0.03 0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 2qbk n LYS 61 Cb 0.08 -0.89 -0.11 0.00 0.02 0.00 0.00 35.03 34.12 2qbk n LYS 61 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2qbk h LYS 62 N -0.41 0.02 0.00 1.64 1.57 0.10 -3.50 116.57 115.99 2qbk h LYS 62 Ca -0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2qbk h LYS 62 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2qbk h LYS 62 CO -0.10 0.76 0.00 0.41 -0.57 0.00 0.00 179.45 179.95 2qbk n GLY 63 N 0.93 3.59 0.40 3.86 0.00 -0.38 -4.59 105.19 109.00 2qbk n GLY 63 Ca -0.09 -0.75 0.27 0.00 0.00 0.00 0.00 46.02 45.45 2qbk n GLY 63 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbk h ILE 64 N 0.00 0.32 0.05 -0.61 5.03 -1.91 2.80 117.51 123.20 2qbk h ILE 64 Ca 0.00 -0.10 -0.24 0.00 -0.12 0.00 0.00 64.86 64.41 2qbk h ILE 64 Cb 0.00 0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 33.81 2qbk h ILE 64 CO 0.00 0.05 -1.05 0.44 -0.68 0.00 0.00 178.15 176.91 2qbk h ASP 65 N 0.28 0.38 0.16 1.72 3.32 -1.91 0.25 116.42 120.62 2qbk h ASP 65 Ca 0.71 -0.35 -0.15 0.00 0.02 0.00 0.00 57.03 57.26 2qbk h ASP 65 Cb 1.89 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 41.31 2qbk h ASP 65 CO -0.45 1.21 -0.54 0.74 -1.72 0.00 0.00 179.24 178.48 2qbk h THR 66 N 0.12 1.34 0.42 0.35 2.02 0.17 1.12 112.91 118.46 2qbk h THR 66 Ca -0.09 -1.81 -0.02 0.00 0.77 0.00 0.00 66.41 65.26 2qbk h THR 66 Cb 1.73 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 2qbk h THR 66 CO 0.17 0.55 -0.20 0.58 0.37 0.00 0.00 175.52 176.99 2qbk h VAL 67 N 0.32 0.34 0.00 3.16 2.07 0.43 -2.63 116.25 119.94 2qbk h VAL 67 Ca 0.01 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2qbk h VAL 67 Cb 1.05 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2qbk h VAL 67 CO 0.09 0.07 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 2qbk h LEU 68 N -1.01 0.00 0.12 2.57 3.38 -0.44 0.10 115.31 120.02 2qbk h LEU 68 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qbk h LEU 68 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2qbk h LEU 68 CO 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.50 2qbk h ALA 69 N 2.01 -0.24 -3.00 1.53 0.00 0.17 -3.28 119.26 116.46 2qbk h ALA 69 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qbk h ALA 69 Cb 0.13 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qbk h ALA 69 CO 0.00 -0.65 0.00 0.39 0.00 0.00 0.00 179.25 178.99 2qbk n GLU 70 N -5.24 3.48 0.00 0.00 1.02 0.35 -3.08 120.64 117.17 2qbk n GLU 70 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2qbk n GLU 70 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2qbk n GLU 70 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2qbk n LEU 71 N 0.00 0.00 0.11 -4.62 -0.00 -1.21 -1.11 117.00 110.17 2qbk n LEU 71 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 2qbk n LEU 71 Cb 0.00 0.00 0.72 0.00 -0.00 0.00 0.00 43.42 44.14 2qbk n LEU 71 CO 0.00 0.00 1.15 0.08 -0.00 0.00 0.00 177.39 178.62 2qbk h ARG 72 N 0.00 0.00 -0.38 1.96 0.11 -1.75 0.21 114.38 114.53 2qbk h ARG 72 Ca 0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 2qbk h ARG 72 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2qbk h ARG 72 CO 0.00 0.00 0.24 0.00 0.10 0.00 0.00 179.97 180.31 2qbk h ALA 73 N 1.79 0.48 -0.00 0.08 0.00 -1.05 0.11 119.26 120.67 2qbk h ALA 73 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qbk h ALA 73 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qbk h ALA 73 CO -0.00 -0.09 -0.01 2.89 0.00 0.00 0.00 179.25 182.05 2qbk n ARG 74 N -4.85 0.89 -1.59 0.00 1.85 0.57 -4.88 116.66 108.65 2qbk n ARG 74 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2qbk n ARG 74 Cb 0.04 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 29.95 2qbk n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbk n GLY 75 N 1.09 0.38 3.82 2.89 0.00 0.37 -5.04 105.19 108.69 2qbk n GLY 75 Ca 0.21 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 2qbk n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbk s GLU 76 N -3.19 0.57 0.00 1.61 2.56 -0.14 -4.94 118.70 115.17 2qbk s GLU 76 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.88 2qbk s GLU 76 Cb 0.00 -1.81 0.00 0.00 2.00 0.00 0.00 34.13 34.32 2qbk s GLU 76 CO 0.00 -2.51 0.00 0.36 -0.56 0.00 0.00 175.26 172.55 2qbk n LYS 77 N -3.91 2.07 -0.79 4.30 2.85 -1.26 -4.47 118.16 116.95 2qbk n LYS 77 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 2qbk n LYS 77 Cb 0.60 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 2qbk n LYS 77 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33