#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n ARG 3 N 0.00 -0.79 -4.71 1.43 1.74 -1.26 -4.88 116.66 108.19 2qba n ARG 3 Ca 0.00 -0.37 -0.29 0.00 -0.77 0.00 0.00 57.85 56.42 2qba n ARG 3 Cb 0.00 0.59 -0.17 0.00 -1.02 0.00 0.00 32.46 31.86 2qba n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qba s VAL 4 N -4.22 1.62 0.44 1.55 -7.23 -1.26 -4.31 120.40 106.99 2qba s VAL 4 Ca 0.02 -0.74 0.30 0.00 -1.81 0.00 0.00 61.98 59.74 2qba s VAL 4 Cb -0.01 -1.45 0.48 0.00 0.56 0.00 0.00 36.38 35.97 2qba s VAL 4 CO 0.04 0.46 1.63 0.00 -0.31 0.00 0.00 175.10 176.92 2qba n GLN 6 N -4.68 0.00 0.07 0.00 7.27 -1.26 -3.97 117.38 114.81 2qba n GLN 6 Ca 0.37 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.55 2qba n GLN 6 Cb 1.41 -0.20 -0.00 0.00 2.41 0.00 0.00 30.24 33.86 2qba n GLN 6 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2qba n VAL 7 N 0.00 0.45 -0.80 1.69 3.14 -1.26 -4.35 118.33 117.19 2qba n VAL 7 Ca 0.00 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 2qba n VAL 7 Cb 0.00 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 2qba n VAL 7 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2qba n THR 8 N -2.46 0.03 -3.04 1.55 -2.24 -1.26 -5.03 114.28 101.83 2qba n THR 8 Ca 0.00 -0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 2qba n THR 8 Cb 0.53 1.66 0.04 0.00 -2.10 0.00 0.00 70.33 70.45 2qba n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qba n GLY 9 N -0.02 -0.34 3.51 3.38 0.00 -1.26 -4.94 105.19 105.52 2qba n GLY 9 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2qba n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba s LYS 10 N -5.68 3.24 0.53 1.61 1.02 -1.26 -4.80 119.74 114.39 2qba s LYS 10 Ca 0.32 -0.39 0.05 0.00 0.02 0.00 0.00 55.97 55.97 2qba s LYS 10 Cb -0.14 -4.15 0.04 0.00 -0.52 0.00 0.00 37.83 33.07 2qba s LYS 10 CO 0.40 -1.82 0.73 1.03 -0.92 0.00 0.00 175.35 174.78 2qba s ARG 11 N 4.63 2.50 -0.24 1.68 0.52 -1.26 -2.01 118.95 124.76 2qba s ARG 11 Ca 0.30 -1.11 -0.28 0.00 -0.52 0.00 0.00 55.73 54.12 2qba s ARG 11 Cb -0.12 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.77 2qba s ARG 11 CO 0.16 -0.67 1.01 -1.25 0.02 0.00 0.00 175.30 174.56 2qba s PRO 12 N -4.65 4.22 0.22 3.54 0.04 -1.26 -4.68 135.00 132.43 2qba s PRO 12 Ca 0.58 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 2qba s PRO 12 Cb -0.09 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 2qba s PRO 12 CO 0.37 -0.65 0.44 0.14 0.04 0.00 0.00 177.00 177.34 2qba s VAL 13 N 3.20 5.15 0.34 -0.36 -7.23 -0.92 -4.85 120.40 115.72 2qba s VAL 13 Ca 0.43 -0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 60.39 2qba s VAL 13 Cb -0.15 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2qba s VAL 13 CO 0.07 -0.19 0.58 0.28 -0.31 0.00 0.00 175.10 175.53 2qba s THR 14 N -1.90 5.06 0.00 5.32 -1.32 -1.26 0.91 115.64 122.44 2qba s THR 14 Ca 0.40 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2qba s THR 14 Cb -0.11 -3.81 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 2qba s THR 14 CO 0.29 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 2qba n GLY 15 N -1.52 1.50 3.34 6.08 0.00 -1.25 -4.84 105.19 108.51 2qba n GLY 15 Ca -0.03 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 2qba n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qba s ASN 16 N -0.84 3.10 0.21 1.61 0.01 -1.26 0.22 114.94 117.99 2qba s ASN 16 Ca 0.00 -0.64 -0.03 0.00 -0.71 0.00 0.00 52.86 51.49 2qba s ASN 16 Cb 0.00 -0.25 0.16 0.00 0.41 0.00 0.00 41.25 41.57 2qba s ASN 16 CO 0.00 0.21 1.56 0.78 -1.51 0.00 0.00 177.10 178.14 2qba h ASN 17 N 4.49 0.63 -6.59 -1.22 2.35 -0.36 -3.47 115.58 111.41 2qba h ASN 17 Ca -0.47 -0.30 -0.52 0.00 -0.55 0.00 0.00 56.30 54.46 2qba h ASN 17 Cb 1.15 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2qba h ASN 17 CO 0.42 0.99 -0.96 -1.14 -1.65 0.00 0.00 177.43 175.10 2qba n ARG 18 N -4.01 -1.29 -0.51 0.81 3.00 -1.15 -4.93 116.66 108.59 2qba n ARG 18 Ca -0.02 0.29 -0.30 0.00 -0.00 0.00 0.00 57.85 57.82 2qba n ARG 18 Cb 0.55 -3.64 0.27 0.00 0.00 0.00 0.00 32.46 29.64 2qba n ARG 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2qba s SER 19 N -3.76 -0.15 1.11 6.15 1.04 -0.87 -4.71 113.70 112.52 2qba s SER 19 Ca 0.34 1.07 -0.18 0.00 0.48 0.00 0.00 55.95 57.67 2qba s SER 19 Cb -0.15 -1.59 0.11 0.00 0.10 0.00 0.00 66.02 64.49 2qba s SER 19 CO 0.92 -4.83 0.09 1.57 0.98 0.00 0.00 173.24 171.96 2qba n HIS 20 N -5.30 -1.41 -0.95 5.02 -0.00 -1.26 -1.90 115.22 109.41 2qba n HIS 20 Ca 0.09 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2qba n HIS 20 Cb 0.58 -1.58 0.00 0.00 -0.12 0.00 0.00 29.99 28.87 2qba n HIS 20 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2qba n ALA 21 N -4.42 0.00 -2.76 1.57 0.00 -1.26 -2.89 120.51 110.75 2qba n ALA 21 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 2qba n ALA 21 Cb 0.61 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.13 2qba n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qba n LEU 22 N 0.00 -2.09 -4.73 0.00 4.77 -0.80 -4.95 117.00 109.20 2qba n LEU 22 Ca 0.00 -0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 2qba n LEU 22 Cb 0.28 -2.76 -0.03 0.00 -2.33 0.00 0.00 43.42 38.58 2qba n LEU 22 CO 0.00 0.02 0.92 0.20 -1.33 0.00 0.00 177.39 177.20 2qba s ASN 23 N -2.38 7.02 -0.19 -1.43 0.01 -1.05 -4.87 114.94 112.05 2qba s ASN 23 Ca 0.17 2.26 -0.16 0.00 -0.71 0.00 0.00 52.86 54.41 2qba s ASN 23 Cb -0.08 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 2qba s ASN 23 CO 0.21 -0.44 0.42 0.00 -1.51 0.00 0.00 177.10 175.78 2qba s ALA 24 N 0.17 3.54 -0.24 0.60 0.00 -1.26 -2.06 121.76 122.51 2qba s ALA 24 Ca 0.55 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 2qba s ALA 24 Cb -0.34 -2.65 0.09 0.00 0.00 0.00 0.00 23.12 20.23 2qba s ALA 24 CO 0.36 -0.25 0.17 0.99 0.00 0.00 0.00 175.76 177.03 2qba s THR 25 N 1.20 -0.18 0.56 0.00 2.01 -1.26 -4.91 115.64 113.05 2qba s THR 25 Ca 0.21 -0.43 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 2qba s THR 25 Cb -0.15 -0.81 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 2qba s THR 25 CO 0.08 -0.46 0.59 0.29 -0.69 0.00 0.00 174.62 174.43 2qba n LYS 26 N 5.28 0.58 0.00 4.92 4.76 -1.26 0.37 118.16 132.81 2qba n LYS 26 Ca -0.05 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2qba n LYS 26 Cb 0.46 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2qba n LYS 26 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2qba n ARG 27 N -0.15 0.00 0.00 1.97 -4.01 0.13 -4.68 116.66 109.92 2qba n ARG 27 Ca 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 2qba n ARG 27 Cb 0.47 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.89 2qba n ARG 27 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2qba n ARG 28 N 0.00 0.00 -3.78 2.89 1.85 -1.26 -3.74 116.66 112.61 2qba n ARG 28 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 2qba n ARG 28 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 2qba n ARG 28 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2qba s PHE 29 N -1.62 3.06 -0.17 2.89 0.40 0.26 -4.91 117.98 117.90 2qba s PHE 29 Ca 0.00 -0.53 -0.08 0.00 -0.60 0.00 0.00 56.93 55.72 2qba s PHE 29 Cb 0.00 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 2qba s PHE 29 CO 0.00 -0.40 0.11 -0.51 0.70 0.00 0.00 175.22 175.12 2qba s LEU 30 N 1.59 4.11 1.17 -0.37 1.43 -1.26 -2.17 118.68 123.19 2qba s LEU 30 Ca 0.06 0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 2qba s LEU 30 Cb -0.15 -2.03 0.22 0.00 0.03 0.00 0.00 46.19 44.26 2qba s LEU 30 CO 0.02 0.25 0.44 -2.65 0.23 0.00 0.00 176.35 174.65 2qba n PRO 31 N 3.04 -2.78 0.02 1.29 -0.02 -1.26 -4.99 135.00 130.29 2qba n PRO 31 Ca -0.17 -0.81 -0.01 0.00 -2.02 0.00 0.00 63.50 60.48 2qba n PRO 31 Cb 0.53 -1.71 -0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2qba n PRO 31 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2qba h ASN 32 N -2.77 -0.05 -2.89 2.55 -0.73 -1.94 -3.50 115.58 106.24 2qba h ASN 32 Ca -0.40 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.77 2qba h ASN 32 Cb 1.12 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.73 2qba h ASN 32 CO 0.27 0.05 -0.45 0.18 -0.37 0.00 0.00 177.43 177.11 2qba n LEU 33 N -2.66 -0.93 0.00 0.34 4.32 -1.26 -4.81 117.00 112.00 2qba n LEU 33 Ca -0.01 1.43 0.00 0.00 -0.02 0.00 0.00 56.01 57.41 2qba n LEU 33 Cb 0.02 -2.33 0.00 0.00 -1.62 0.00 0.00 43.42 39.49 2qba n LEU 33 CO 0.02 -0.08 0.00 1.41 -1.22 0.00 0.00 177.39 177.52 2qba n HIS 34 N -1.61 0.00 -2.81 -1.77 8.25 0.11 -4.79 115.22 112.59 2qba n HIS 34 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2qba n HIS 34 Cb 0.11 0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 2qba n HIS 34 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2qba n SER 35 N 0.00 -3.70 -4.83 0.41 3.41 -1.08 -4.87 113.62 102.96 2qba n SER 35 Ca 0.00 1.18 -0.31 0.00 -0.26 0.00 0.00 58.87 59.47 2qba n SER 35 Cb 0.07 -3.78 -0.06 0.00 -0.26 0.00 0.00 64.21 60.19 2qba n SER 35 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2qba s HIS 36 N -0.50 3.34 -0.83 7.33 5.04 -0.90 -4.83 115.29 123.93 2qba s HIS 36 Ca -0.16 0.17 -0.23 0.00 -1.54 0.00 0.00 55.06 53.30 2qba s HIS 36 Cb 0.01 -1.70 0.06 0.00 0.04 0.00 0.00 32.58 30.99 2qba s HIS 36 CO 0.48 0.56 1.22 1.03 -2.34 0.00 0.00 174.74 175.69 2qba s ARG 37 N -2.29 3.36 0.01 2.88 1.81 -1.26 -3.36 118.95 120.10 2qba s ARG 37 Ca 0.30 -0.91 -0.18 0.00 -1.72 0.00 0.00 55.73 53.21 2qba s ARG 37 Cb -0.12 -4.66 -0.06 0.00 -0.45 0.00 0.00 34.95 29.66 2qba s ARG 37 CO 0.22 -2.02 0.53 -0.06 -0.68 0.00 0.00 175.30 173.29 2qba s PHE 38 N 4.56 3.72 -0.84 -0.53 0.08 -0.64 -4.98 117.98 119.35 2qba s PHE 38 Ca 0.35 1.14 -0.17 0.00 0.12 0.00 0.00 56.93 58.37 2qba s PHE 38 Cb -0.07 -2.48 0.16 0.00 -0.57 0.00 0.00 43.02 40.05 2qba s PHE 38 CO 0.02 0.49 0.93 -0.46 -0.10 0.00 0.00 175.22 176.10 2qba s TRP 39 N -0.64 3.33 0.42 0.36 -0.00 -1.26 -3.18 118.94 117.97 2qba s TRP 39 Ca 0.28 -1.54 0.19 0.00 -0.00 0.00 0.00 56.10 55.03 2qba s TRP 39 Cb -0.18 -4.07 1.11 0.00 -0.00 0.00 0.00 33.47 30.33 2qba s TRP 39 CO 0.16 -1.28 1.83 -0.39 -0.00 0.00 0.00 176.95 177.27 2qba h VAL 40 N 5.46 0.63 0.00 5.86 -1.51 -1.87 -3.45 116.25 121.37 2qba h VAL 40 Ca 0.06 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2qba h VAL 40 Cb 1.04 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2qba h VAL 40 CO 0.98 0.07 0.00 1.21 -1.23 0.00 0.00 177.57 178.60 2qba n GLU 41 N -4.53 0.00 -0.20 5.19 0.00 -1.26 -3.93 120.64 115.91 2qba n GLU 41 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.36 2qba n GLU 41 Cb 0.77 0.00 0.10 0.00 0.00 0.00 0.00 31.44 32.31 2qba n GLU 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2qba h SER 42 N 0.00 0.30 1.06 4.31 4.64 -2.00 0.36 113.55 122.22 2qba h SER 42 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2qba h SER 42 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2qba h SER 42 CO 0.00 0.19 0.00 1.21 -0.87 0.00 0.00 176.83 177.36 2qba n GLU 43 N -4.95 0.05 -0.19 4.77 2.13 -1.25 -4.88 120.64 116.32 2qba n GLU 43 Ca 0.08 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2qba n GLU 43 Cb 0.24 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.39 2qba n GLU 43 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qba n LYS 44 N -1.65 0.00 0.00 5.31 3.00 0.13 -4.89 118.16 120.06 2qba n LYS 44 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2qba n LYS 44 Cb 0.35 -3.79 0.00 0.00 0.00 0.00 0.00 35.03 31.58 2qba n LYS 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2qba n ARG 45 N -2.00 0.00 0.00 1.64 0.63 -1.26 -4.80 116.66 110.87 2qba n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qba n ARG 45 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qba n ARG 45 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2qba n PHE 46 N 0.00 0.00 -0.93 -0.14 -0.00 -1.26 -4.66 117.46 110.47 2qba n PHE 46 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.12 2qba n PHE 46 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.45 2qba n PHE 46 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2qba n VAL 47 N 0.00 0.84 -3.70 -2.13 0.24 -1.19 -4.03 118.33 108.36 2qba n VAL 47 Ca 0.00 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.34 61.80 2qba n VAL 47 Cb 0.00 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.25 2qba n VAL 47 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2qba s THR 48 N -0.42 1.53 0.49 3.34 -1.32 -1.26 -1.63 115.64 116.37 2qba s THR 48 Ca 0.47 -2.90 -0.08 0.00 -1.21 0.00 0.00 61.69 57.97 2qba s THR 48 Cb -0.68 -2.05 -0.05 0.00 -1.51 0.00 0.00 72.50 68.22 2qba s THR 48 CO 0.36 -0.97 0.84 -1.48 -2.21 0.00 0.00 174.62 171.16 2qba s LEU 49 N -0.04 3.60 -1.08 9.08 0.05 -1.21 -4.76 118.68 124.31 2qba s LEU 49 Ca 0.21 1.10 -0.22 0.00 0.05 0.00 0.00 54.13 55.27 2qba s LEU 49 Cb -0.16 -4.05 0.02 0.00 -2.05 0.00 0.00 46.19 39.95 2qba s LEU 49 CO -0.06 -0.59 1.66 -0.60 -0.55 0.00 0.00 176.35 176.21 2qba s ARG 50 N -4.59 3.39 0.28 1.48 3.52 -1.26 -2.11 118.95 119.65 2qba s ARG 50 Ca 0.50 -1.19 -0.07 0.00 -0.13 0.00 0.00 55.73 54.84 2qba s ARG 50 Cb -0.10 -5.34 -0.06 0.00 -1.56 0.00 0.00 34.95 27.89 2qba s ARG 50 CO 0.43 -2.61 0.57 0.08 -0.81 0.00 0.00 175.30 172.96 2qba s VAL 51 N 6.33 4.97 0.03 7.11 1.01 -1.26 -4.26 120.40 134.33 2qba s VAL 51 Ca 0.55 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.82 2qba s VAL 51 Cb -0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2qba s VAL 51 CO -0.02 -0.25 -0.08 -0.94 0.00 0.00 0.00 175.10 173.81 2qba s SER 52 N -2.88 4.50 0.84 3.32 1.04 -1.26 0.04 113.70 119.31 2qba s SER 52 Ca 0.46 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.51 2qba s SER 52 Cb -0.11 -0.99 -0.10 0.00 0.10 0.00 0.00 66.02 64.92 2qba s SER 52 CO 0.27 0.26 -0.24 0.00 0.98 0.00 0.00 173.24 174.51 2qba n ALA 53 N 1.39 -3.84 0.00 5.32 0.00 -1.26 -0.81 120.51 121.31 2qba n ALA 53 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2qba n ALA 53 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2qba n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qba n LYS 54 N 1.06 0.00 0.24 0.00 0.00 -1.26 -4.27 118.16 113.94 2qba n LYS 54 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.50 2qba n LYS 54 Cb 0.53 -0.01 0.85 0.00 0.00 0.00 0.00 35.03 36.40 2qba n LYS 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2qba h GLY 55 N 0.00 0.00 1.43 3.14 0.00 -1.39 0.45 103.07 106.70 2qba h GLY 55 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2qba h GLY 55 CO 0.00 0.00 -1.38 -0.33 0.00 0.00 0.00 176.54 174.83 2qba h MET 56 N 0.00 0.40 -0.41 4.80 2.86 -1.66 -3.14 114.93 117.78 2qba h MET 56 Ca 0.00 -0.68 0.12 0.00 -2.06 0.00 0.00 59.70 57.08 2qba h MET 56 Cb 0.08 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2qba h MET 56 CO 0.00 1.32 0.43 0.00 1.06 0.00 0.00 176.91 179.71 2qba h ARG 57 N 0.11 0.00 0.31 1.72 3.08 -0.41 0.15 114.38 119.34 2qba h ARG 57 Ca -0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2qba h ARG 57 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.12 2qba h ARG 57 CO 0.23 0.00 -0.15 0.28 -1.07 0.00 0.00 179.97 179.26 2qba h VAL 58 N 0.00 0.69 -1.00 2.04 2.07 -1.48 -2.14 116.25 116.44 2qba h VAL 58 Ca 0.19 -0.56 0.12 0.00 0.82 0.00 0.00 66.70 67.27 2qba h VAL 58 Cb 1.04 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 2qba h VAL 58 CO -0.00 0.11 0.63 0.40 0.02 0.00 0.00 177.57 178.72 2qba h ILE 59 N -0.74 0.91 0.00 4.57 1.08 -0.84 1.32 117.51 123.81 2qba h ILE 59 Ca -0.04 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2qba h ILE 59 Cb 0.50 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2qba h ILE 59 CO 0.07 0.18 0.00 0.47 -0.69 0.00 0.00 178.15 178.18 2qba n ASP 60 N -4.61 0.00 0.00 1.72 8.00 -0.49 -1.43 116.55 119.74 2qba n ASP 60 Ca 0.19 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2qba n ASP 60 Cb 0.36 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2qba n ASP 60 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2qba n LYS 61 N -1.18 1.92 -0.11 -1.24 4.81 0.13 -4.87 118.16 117.61 2qba n LYS 61 Ca 0.13 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.34 2qba n LYS 61 Cb 0.14 -0.98 -0.10 0.00 0.02 0.00 0.00 35.03 34.11 2qba n LYS 61 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qba n LYS 62 N -2.22 0.56 0.00 1.64 5.02 0.41 -5.08 118.16 118.50 2qba n LYS 62 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2qba n LYS 62 Cb 0.48 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2qba n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qba n GLY 63 N 1.38 3.70 0.46 0.72 0.00 -0.51 -4.58 105.19 106.36 2qba n GLY 63 Ca -0.38 -0.92 0.33 0.00 0.00 0.00 0.00 46.02 45.06 2qba n GLY 63 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qba h ILE 64 N 0.00 0.26 -0.05 -0.61 5.03 -1.92 1.43 117.51 121.65 2qba h ILE 64 Ca 0.00 -0.06 -0.07 0.00 -0.12 0.00 0.00 64.86 64.61 2qba h ILE 64 Cb 0.00 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 33.87 2qba h ILE 64 CO 0.00 0.03 -0.26 0.44 -0.68 0.00 0.00 178.15 177.68 2qba h ASP 65 N 0.17 0.31 0.12 1.72 3.32 -1.91 0.30 116.42 120.45 2qba h ASP 65 Ca 0.74 -0.66 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2qba h ASP 65 Cb 2.28 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.73 2qba h ASP 65 CO -0.34 0.92 -0.13 0.74 -1.72 0.00 0.00 179.24 178.71 2qba h THR 66 N -0.28 1.12 0.12 0.35 2.02 0.18 1.57 112.91 117.98 2qba h THR 66 Ca -0.02 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2qba h THR 66 Cb 0.92 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2qba h THR 66 CO 0.05 0.16 -0.06 0.58 0.37 0.00 0.00 175.52 176.62 2qba h VAL 67 N 0.05 0.00 -0.06 3.16 2.07 0.17 -3.04 116.25 118.60 2qba h VAL 67 Ca 0.01 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2qba h VAL 67 Cb 0.27 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2qba h VAL 67 CO 0.02 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.80 2qba h LEU 68 N -0.28 0.00 -0.58 2.57 3.38 -0.24 1.03 115.31 121.19 2qba h LEU 68 Ca -0.02 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2qba h LEU 68 Cb 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2qba h LEU 68 CO 0.03 0.00 0.21 0.00 0.09 0.00 0.00 178.44 178.76 2qba h ALA 69 N 1.54 0.74 -3.00 1.53 0.00 0.24 -3.26 119.26 117.04 2qba h ALA 69 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qba h ALA 69 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qba h ALA 69 CO -0.00 -0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.43 2qba n GLU 70 N -5.01 0.49 0.00 0.00 1.02 0.36 -3.44 120.64 114.05 2qba n GLU 70 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2qba n GLU 70 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 2qba n GLU 70 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qba n LEU 71 N 0.00 0.00 0.09 -4.62 7.99 -1.23 0.52 117.00 119.75 2qba n LEU 71 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 56.01 56.20 2qba n LEU 71 Cb 0.00 0.00 0.74 0.00 -0.11 0.00 0.00 43.42 44.05 2qba n LEU 71 CO 0.00 0.00 1.18 0.08 -1.51 0.00 0.00 177.39 177.14 2qba h ARG 72 N 0.00 0.00 0.89 3.23 0.11 -1.73 0.70 114.38 117.58 2qba h ARG 72 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2qba h ARG 72 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 2qba h ARG 72 CO 0.00 0.00 -0.43 0.00 0.10 0.00 0.00 179.97 179.64 2qba h ALA 73 N 1.45 -1.20 0.00 0.08 0.00 0.04 -2.68 119.26 116.95 2qba h ALA 73 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qba h ALA 73 Cb 1.13 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2qba h ALA 73 CO -0.00 -1.12 -0.09 0.07 0.00 0.00 0.00 179.25 178.11 2qba h ARG 74 N -1.31 0.00 0.00 0.00 0.11 -1.33 -3.46 114.38 108.39 2qba h ARG 74 Ca -0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.96 2qba h ARG 74 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2qba h ARG 74 CO 0.20 0.09 0.00 0.41 0.10 0.00 0.00 179.97 180.78 2qba n GLY 75 N 0.02 1.49 3.69 0.08 0.00 0.19 -5.07 105.19 105.59 2qba n GLY 75 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2qba n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qba s GLU 76 N -0.11 0.80 0.00 1.61 2.56 0.16 -4.88 118.70 118.84 2qba s GLU 76 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 54.97 55.70 2qba s GLU 76 Cb 0.00 -1.76 0.00 0.00 2.00 0.00 0.00 34.13 34.37 2qba s GLU 76 CO 0.00 -2.53 0.00 0.36 -0.56 0.00 0.00 175.26 172.53 2qba n LYS 77 N -4.07 0.00 -0.74 4.30 2.85 -1.26 -4.21 118.16 115.03 2qba n LYS 77 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2qba n LYS 77 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 2qba n LYS 77 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33