#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djb n SER 2 N 0.00 1.85 -3.79 1.61 2.88 -1.26 -5.00 113.62 109.91 2djb n SER 2 Ca 0.00 0.32 -0.17 0.00 -1.33 0.00 0.00 58.87 57.68 2djb n SER 2 Cb 0.00 -0.75 -0.16 0.00 -0.75 0.00 0.00 64.21 62.54 2djb n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2djb s SER 3 N -6.88 0.54 0.00 -3.46 0.01 -1.26 -5.13 113.70 97.52 2djb s SER 3 Ca -0.33 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2djb s SER 3 Cb 0.11 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2djb s SER 3 CO 0.44 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2djb n GLY 4 N 4.35 2.48 3.86 3.44 0.00 -1.26 -5.19 105.19 112.88 2djb n GLY 4 Ca -0.23 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2djb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djb s SER 5 N 0.00 -0.02 0.05 1.61 1.04 -1.26 -5.18 113.70 109.94 2djb s SER 5 Ca 0.00 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2djb s SER 5 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 2djb s SER 5 CO 0.00 -0.56 -0.06 -0.94 0.98 0.00 0.00 173.24 172.66 2djb s SER 6 N -3.46 0.76 -0.39 7.02 1.04 -1.26 -5.09 113.70 112.32 2djb s SER 6 Ca 0.23 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 56.02 2djb s SER 6 Cb -0.00 0.08 0.30 0.00 0.10 0.00 0.00 66.02 66.49 2djb s SER 6 CO 0.01 -0.31 1.21 0.61 0.98 0.00 0.00 173.24 175.73 2djb n GLY 7 N 1.05 -0.76 3.61 7.32 0.00 -1.26 -5.14 105.19 110.00 2djb n GLY 7 Ca -0.20 0.56 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 2djb n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djb s ASN 8 N -0.74 5.26 -0.02 1.61 -0.87 -1.26 -4.99 114.94 113.94 2djb s ASN 8 Ca 0.24 0.04 -0.02 0.00 -1.57 0.00 0.00 52.86 51.55 2djb s ASN 8 Cb 0.26 -1.78 -0.01 0.00 -0.02 0.00 0.00 41.25 39.70 2djb s ASN 8 CO -0.14 0.23 -0.05 0.18 -2.57 0.00 0.00 177.10 174.75 2djb n LEU 9 N 3.14 0.37 -4.06 0.60 7.99 -1.26 -4.95 117.00 118.83 2djb n LEU 9 Ca -0.17 0.06 -0.34 0.00 -0.01 0.00 0.00 56.01 55.54 2djb n LEU 9 Cb 0.53 -0.14 -0.12 0.00 -0.11 0.00 0.00 43.42 43.58 2djb n LEU 9 CO 0.33 -0.02 -0.11 -0.55 -1.51 0.00 0.00 177.39 175.52 2djb s SER 10 N -5.41 4.99 -0.45 -1.43 0.15 -1.26 -4.93 113.70 105.36 2djb s SER 10 Ca -0.05 -2.58 0.04 0.00 0.70 0.00 0.00 55.95 54.06 2djb s SER 10 Cb 0.02 -1.77 0.44 0.00 -1.71 0.00 0.00 66.02 63.00 2djb s SER 10 CO 0.06 -0.39 1.46 1.21 1.20 0.00 0.00 173.24 176.78 2djb n GLU 11 N 3.80 3.29 -3.69 5.44 4.07 -1.26 -4.90 120.64 127.38 2djb n GLU 11 Ca 0.04 -3.95 -0.25 0.00 -0.06 0.00 0.00 57.16 52.94 2djb n GLU 11 Cb 0.38 -2.28 0.06 0.00 -0.06 0.00 0.00 31.44 29.54 2djb n GLU 11 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2djb n LEU 12 N -0.71 -3.17 -4.85 4.31 4.77 -1.26 -4.98 117.00 111.10 2djb n LEU 12 Ca 0.49 -0.67 -0.35 0.00 -0.03 0.00 0.00 56.01 55.45 2djb n LEU 12 Cb 0.78 -2.84 -0.06 0.00 -2.33 0.00 0.00 43.42 38.97 2djb n LEU 12 CO 0.50 0.53 -0.19 0.28 -1.33 0.00 0.00 177.39 177.17 2djb s THR 13 N -3.37 5.26 1.09 -5.08 -1.32 -1.26 -5.11 115.64 105.86 2djb s THR 13 Ca 0.46 -0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.78 2djb s THR 13 Cb -0.21 -3.34 0.23 0.00 -1.51 0.00 0.00 72.50 67.67 2djb s THR 13 CO 0.77 0.52 1.10 -2.16 -2.21 0.00 0.00 174.62 172.64 2djb s PRO 14 N -1.31 -0.34 0.00 7.08 0.04 -1.26 -4.95 135.00 134.26 2djb s PRO 14 Ca 0.19 0.25 0.27 0.00 0.04 0.00 0.00 61.00 61.74 2djb s PRO 14 Cb -0.12 -1.67 1.09 0.00 0.04 0.00 0.00 34.50 33.84 2djb s PRO 14 CO 0.09 -3.19 1.76 0.98 0.04 0.00 0.00 177.00 176.68 2djb n TYR 15 N -4.45 0.04 -1.08 0.56 9.36 -1.26 -4.69 117.16 115.63 2djb n TYR 15 Ca 0.08 -0.02 -0.40 0.00 3.32 0.00 0.00 57.90 60.88 2djb n TYR 15 Cb 0.58 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.21 2djb n TYR 15 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2djb n ILE 16 N 0.06 1.15 -4.44 2.97 5.41 -1.26 -4.81 119.36 118.44 2djb n ILE 16 Ca 0.19 -1.04 -0.20 0.00 1.00 0.00 0.00 62.75 62.69 2djb n ILE 16 Cb 0.32 -2.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.02 2djb n ILE 16 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2djb n LEU 17 N 9.57 0.00 -4.73 1.39 4.77 -1.26 -4.53 117.00 122.20 2djb n LEU 17 Ca 0.48 -2.23 -0.24 0.00 -0.03 0.00 0.00 56.01 53.99 2djb n LEU 17 Cb 0.42 0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 41.95 2djb n LEU 17 CO 1.02 -0.33 -0.18 0.00 -1.33 0.00 0.00 177.39 176.57 2djb n SER 19 N -1.19 2.49 -0.09 0.00 2.88 -1.26 -3.49 113.62 112.95 2djb n SER 19 Ca -0.02 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.36 2djb n SER 19 Cb 0.63 1.25 -0.08 0.00 -0.75 0.00 0.00 64.21 65.26 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2djb h ILE 20 N 0.00 0.61 0.00 2.46 5.03 -1.96 -3.41 117.51 120.24 2djb h ILE 20 Ca -0.09 -1.77 0.00 0.00 -0.12 0.00 0.00 64.86 62.87 2djb h ILE 20 Cb 0.88 1.47 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 2djb h ILE 20 CO 0.00 0.21 -1.37 0.00 -0.68 0.00 0.00 178.15 176.31 2djb n LYS 22 N -1.80 -6.60 -2.62 0.00 4.76 -1.23 -4.96 118.16 105.71 2djb n LYS 22 Ca 0.00 0.81 -0.07 0.00 -2.87 0.00 0.00 58.31 56.18 2djb n LYS 22 Cb 0.40 -5.78 -0.02 0.00 -1.84 0.00 0.00 35.03 27.79 2djb n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2djb n GLY 23 N -1.80 3.95 3.75 0.72 0.00 -1.26 -4.59 105.19 105.96 2djb n GLY 23 Ca -0.02 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2djb n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2djb s TYR 24 N -1.73 3.19 -0.02 1.61 2.02 -1.26 -2.35 117.35 118.81 2djb s TYR 24 Ca 0.03 1.25 -0.28 0.00 -0.37 0.00 0.00 57.07 57.70 2djb s TYR 24 Cb 0.00 -3.64 -0.03 0.00 -0.40 0.00 0.00 41.96 37.89 2djb s TYR 24 CO 0.02 -1.95 0.89 -0.51 -1.57 0.00 0.00 175.55 172.43 2djb s LEU 25 N -0.56 4.36 -0.27 -1.29 1.43 -1.26 -4.96 118.68 116.13 2djb s LEU 25 Ca 0.55 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 55.03 2djb s LEU 25 Cb -0.38 -3.41 -0.13 0.00 0.03 0.00 0.00 46.19 42.30 2djb s LEU 25 CO 0.42 -0.21 -0.30 -0.38 0.23 0.00 0.00 176.35 176.11 2djb n ILE 26 N 3.84 1.53 -0.00 -0.59 -0.00 -1.26 -4.70 119.36 118.18 2djb n ILE 26 Ca 0.04 -0.39 -0.22 0.00 -0.00 0.00 0.00 62.75 62.18 2djb n ILE 26 Cb 0.51 -1.84 -0.14 0.00 -0.00 0.00 0.00 39.64 38.18 2djb n ILE 26 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2djb h ASP 27 N -0.88 0.37 -3.92 4.38 1.82 -1.93 -3.50 116.42 112.76 2djb h ASP 27 Ca -0.67 -0.86 -0.14 0.00 -0.39 0.00 0.00 57.03 54.97 2djb h ASP 27 Cb 1.63 -0.12 0.09 0.00 0.68 0.00 0.00 39.33 41.61 2djb h ASP 27 CO -0.37 1.74 -0.38 0.00 -1.61 0.00 0.00 179.24 178.62 2djb n ALA 28 N -3.04 -1.18 -2.59 -0.78 0.00 -1.26 -4.91 120.51 106.74 2djb n ALA 28 Ca -0.30 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 2djb n ALA 28 Cb 0.96 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 2djb n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2djb s THR 29 N -3.18 4.25 0.05 0.00 2.01 -0.67 -4.78 115.64 113.32 2djb s THR 29 Ca 0.11 1.14 -0.01 0.00 0.31 0.00 0.00 61.69 63.24 2djb s THR 29 Cb -0.01 -4.58 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2djb s THR 29 CO 0.34 -0.99 0.21 -0.89 -0.69 0.00 0.00 174.62 172.61 2djb s THR 30 N 4.35 5.39 -0.69 -0.82 2.01 -1.26 0.65 115.64 125.27 2djb s THR 30 Ca 0.46 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 2djb s THR 30 Cb -0.08 -3.61 0.18 0.00 0.01 0.00 0.00 72.50 69.00 2djb s THR 30 CO 0.31 0.18 0.58 -0.63 -0.69 0.00 0.00 174.62 174.37 2djb s ILE 31 N -1.47 4.72 0.29 1.82 1.01 -0.26 -4.90 121.20 122.41 2djb s ILE 31 Ca 0.34 -2.50 0.22 0.00 0.00 0.00 0.00 60.65 58.70 2djb s ILE 31 Cb -0.13 -3.99 0.34 0.00 0.01 0.00 0.00 42.46 38.69 2djb s ILE 31 CO 0.26 -0.93 1.01 0.41 0.00 0.00 0.00 174.94 175.69 2djb n THR 32 N 3.99 -0.15 0.02 2.92 -1.04 -1.26 0.90 114.28 119.67 2djb n THR 32 Ca 0.07 1.15 -0.06 0.00 -2.04 0.00 0.00 64.05 63.17 2djb n THR 32 Cb 0.42 -1.88 -0.04 0.00 -1.82 0.00 0.00 70.33 67.01 2djb n THR 32 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2djb h GLU 33 N 0.00 -0.26 -0.35 -2.82 4.81 -1.97 -3.07 114.58 110.91 2djb h GLU 33 Ca 0.57 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2djb h GLU 33 Cb 1.90 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.34 2djb h GLU 33 CO -0.27 -0.17 0.00 0.00 -0.73 0.00 0.00 179.01 177.84 2djb n LEU 35 N -0.14 -0.85 -4.46 0.00 7.99 0.26 -4.90 117.00 114.91 2djb n LEU 35 Ca 0.22 -1.16 -0.33 0.00 -0.01 0.00 0.00 56.01 54.73 2djb n LEU 35 Cb 0.93 -1.45 -0.13 0.00 -0.11 0.00 0.00 43.42 42.66 2djb n LEU 35 CO 0.19 0.35 -0.38 -1.00 -1.51 0.00 0.00 177.39 175.03 2djb s HIS 36 N -3.98 2.95 0.09 -1.77 3.76 -1.23 -4.83 115.29 110.28 2djb s HIS 36 Ca 0.18 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.42 2djb s HIS 36 Cb -0.11 -1.92 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 2djb s HIS 36 CO 0.92 -0.09 0.82 0.99 -0.85 0.00 0.00 174.74 176.53 2djb s THR 37 N 0.35 4.58 -0.18 1.30 2.01 -1.26 -1.11 115.64 121.33 2djb s THR 37 Ca -0.06 1.77 -0.10 0.00 0.31 0.00 0.00 61.69 63.60 2djb s THR 37 Cb -0.15 -4.18 0.06 0.00 0.01 0.00 0.00 72.50 68.25 2djb s THR 37 CO 0.04 0.39 0.45 -0.36 -0.69 0.00 0.00 174.62 174.44 2djb s PHE 38 N -0.29 -0.66 -0.25 4.92 0.08 0.21 -4.79 117.98 117.19 2djb s PHE 38 Ca 0.40 1.39 -0.40 0.00 0.12 0.00 0.00 56.93 58.44 2djb s PHE 38 Cb -0.22 0.31 -0.16 0.00 -0.57 0.00 0.00 43.02 42.38 2djb s PHE 38 CO 0.26 -0.37 1.69 0.00 -0.10 0.00 0.00 175.22 176.70 2djb h LYS 40 N 6.74 0.01 0.09 0.00 3.11 -1.91 1.98 116.57 126.58 2djb h LYS 40 Ca -0.46 -0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.10 2djb h LYS 40 Cb 1.33 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.54 2djb h LYS 40 CO 0.94 0.00 -1.31 0.66 -2.81 0.00 0.00 179.45 176.94 2djb h SER 41 N 0.01 0.29 0.01 4.20 4.64 -2.00 -3.28 113.55 117.42 2djb h SER 41 Ca 0.87 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2djb h SER 41 Cb 3.42 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 65.42 2djb h SER 41 CO -0.04 1.28 -0.01 0.00 -0.87 0.00 0.00 176.83 177.19 2djb n ILE 43 N -2.90 -0.11 0.10 0.00 0.00 0.49 0.18 119.36 117.12 2djb n ILE 43 Ca -0.00 1.55 -0.23 0.00 0.00 0.00 0.00 62.75 64.07 2djb n ILE 43 Cb 0.01 -2.56 -0.15 0.00 0.00 0.00 0.00 39.64 36.93 2djb n ILE 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2djb h VAL 44 N 0.00 1.28 -0.43 9.51 2.07 -1.67 -3.27 116.25 123.74 2djb h VAL 44 Ca 0.86 -2.61 -0.06 0.00 0.82 0.00 0.00 66.70 65.71 2djb h VAL 44 Cb 3.15 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 35.93 2djb h VAL 44 CO -0.22 0.79 0.03 0.03 0.02 0.00 0.00 177.57 178.22 2djb h ARG 45 N -0.02 0.74 -0.11 1.57 3.08 0.25 -2.52 114.38 117.37 2djb h ARG 45 Ca -0.24 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.62 2djb h ARG 45 Cb 2.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 2djb h ARG 45 CO 0.22 0.79 0.13 1.25 -1.07 0.00 0.00 179.97 181.29 2djb h HIS 46 N 0.59 0.00 0.00 3.04 2.76 -0.64 0.71 115.15 121.61 2djb h HIS 46 Ca 0.13 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 2djb h HIS 46 Cb 0.44 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 2djb h HIS 46 CO 0.03 0.00 -0.55 0.74 -1.30 0.00 0.00 177.93 176.85 2djb h PHE 47 N 0.00 0.00 -0.09 5.26 0.04 -1.47 0.51 116.94 121.18 2djb h PHE 47 Ca 0.05 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 2djb h PHE 47 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 2djb h PHE 47 CO 0.00 0.55 -0.35 1.88 -0.60 0.00 0.00 178.31 179.79 2djb h TYR 48 N 0.00 0.20 0.00 -0.55 0.05 -0.80 -3.32 116.97 112.56 2djb h TYR 48 Ca -0.01 -0.05 -0.39 0.00 0.05 0.00 0.00 58.73 58.34 2djb h TYR 48 Cb 1.19 -0.05 -0.06 0.00 1.01 0.00 0.00 36.73 38.82 2djb h TYR 48 CO 0.00 0.51 -2.40 0.66 -1.05 0.00 0.00 178.16 175.89 2djb n TYR 49 N -4.08 0.00 -3.94 4.88 4.01 -1.18 -4.93 117.16 111.92 2djb n TYR 49 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 2djb n TYR 49 Cb 0.42 -0.93 -0.16 0.00 -0.31 0.00 0.00 39.34 38.37 2djb n TYR 49 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2djb s SER 50 N -6.68 2.94 0.00 7.72 0.01 0.18 -5.01 113.70 112.86 2djb s SER 50 Ca -0.34 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.19 2djb s SER 50 Cb 0.10 -1.03 -0.19 0.00 0.21 0.00 0.00 66.02 65.11 2djb s SER 50 CO 0.52 -0.16 2.79 0.59 0.41 0.00 0.00 173.24 177.40 2djb n ASN 51 N 4.81 4.02 -2.22 2.44 4.13 -1.25 -3.44 115.26 123.76 2djb n ASN 51 Ca -0.13 -2.24 -0.08 0.00 1.68 0.00 0.00 54.58 53.81 2djb n ASN 51 Cb 0.48 -1.07 -0.01 0.00 -1.54 0.00 0.00 39.78 37.64 2djb n ASN 51 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2djb n ARG 52 N 2.54 0.50 -3.73 3.52 1.74 -1.26 -3.81 116.66 116.16 2djb n ARG 52 Ca 0.30 -1.67 -0.37 0.00 -0.77 0.00 0.00 57.85 55.35 2djb n ARG 52 Cb 0.68 1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 33.75 2djb n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djb n PRO 54 N 2.64 0.49 0.03 0.00 -0.04 -1.26 0.40 135.00 137.25 2djb n PRO 54 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2djb n PRO 54 Cb 0.53 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 2djb n PRO 54 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2djb n LYS 55 N -0.53 0.00 -0.12 0.54 4.76 -1.26 -4.83 118.16 116.72 2djb n LYS 55 Ca 0.01 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.57 2djb n LYS 55 Cb 0.00 -0.19 0.21 0.00 -1.84 0.00 0.00 35.03 33.21 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2djb n ASN 57 N 1.32 -1.31 -4.65 0.00 0.23 0.16 -4.85 115.26 106.16 2djb n ASN 57 Ca 0.18 -1.15 -0.35 0.00 -0.53 0.00 0.00 54.58 52.73 2djb n ASN 57 Cb 0.58 -2.37 -0.10 0.00 -2.08 0.00 0.00 39.78 35.80 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2djb s ILE 58 N -3.95 4.61 -0.86 1.53 -4.36 -1.26 -4.56 121.20 112.35 2djb s ILE 58 Ca 0.16 -0.11 -0.26 0.00 -0.26 0.00 0.00 60.65 60.18 2djb s ILE 58 Cb -0.08 -3.03 -0.12 0.00 1.25 0.00 0.00 42.46 40.48 2djb s ILE 58 CO 0.94 0.51 2.25 -0.69 0.24 0.00 0.00 174.94 178.19 2djb s VAL 59 N -0.05 3.14 -1.26 8.37 1.01 -1.26 -2.34 120.40 128.02 2djb s VAL 59 Ca 0.05 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 2djb s VAL 59 Cb -0.12 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2djb s VAL 59 CO 0.01 -0.29 1.85 0.52 0.00 0.00 0.00 175.10 177.19 2djb n VAL 60 N 8.56 3.22 -3.75 2.92 0.31 -1.25 -4.87 118.33 123.47 2djb n VAL 60 Ca 0.45 -3.29 -0.13 0.00 -0.01 0.00 0.00 64.34 61.36 2djb n VAL 60 Cb 0.45 -2.32 -0.10 0.00 -0.91 0.00 0.00 33.84 30.95 2djb n VAL 60 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2djb s HIS 61 N 6.15 -0.38 0.07 3.52 5.65 -1.26 -4.95 115.29 124.09 2djb s HIS 61 Ca 0.58 0.92 0.00 0.00 0.25 0.00 0.00 55.06 56.80 2djb s HIS 61 Cb 0.04 0.13 0.00 0.00 -1.18 0.00 0.00 32.58 31.57 2djb s HIS 61 CO 0.08 -0.20 0.00 1.04 -0.65 0.00 0.00 174.74 175.01 2djb n GLN 62 N 2.78 0.00 0.05 2.88 3.00 -1.26 -5.02 117.38 119.81 2djb n GLN 62 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2djb n GLN 62 Cb 0.57 -0.48 0.00 0.00 0.00 0.00 0.00 30.24 30.34 2djb n GLN 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2djb n THR 63 N -3.32 0.66 -3.63 5.09 -1.04 -1.26 -5.13 114.28 105.66 2djb n THR 63 Ca 0.00 0.22 -0.15 0.00 -2.04 0.00 0.00 64.05 62.08 2djb n THR 63 Cb 0.16 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 2djb n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2djb s GLN 64 N -2.00 0.89 -0.12 -2.82 -2.07 -1.26 -5.13 119.66 107.15 2djb s GLN 64 Ca 0.00 -0.01 -0.29 0.00 -1.82 0.00 0.00 55.36 53.24 2djb s GLN 64 Cb 0.00 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 2djb s GLN 64 CO 0.00 -0.27 1.54 -1.25 -1.32 0.00 0.00 175.29 173.98 2djb s PRO 65 N -1.44 4.12 0.25 9.60 0.04 -1.26 -4.93 135.00 141.38 2djb s PRO 65 Ca -0.11 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 2djb s PRO 65 Cb -0.02 -3.93 -0.12 0.00 0.04 0.00 0.00 34.50 30.46 2djb s PRO 65 CO 0.06 -0.89 0.17 1.28 0.04 0.00 0.00 177.00 177.66 2djb n LEU 66 N 7.23 -1.72 -3.81 -3.56 7.99 -1.26 -4.97 117.00 116.90 2djb n LEU 66 Ca 0.17 0.68 -0.13 0.00 -0.01 0.00 0.00 56.01 56.72 2djb n LEU 66 Cb 0.44 -0.67 -0.14 0.00 -0.11 0.00 0.00 43.42 42.94 2djb n LEU 66 CO 0.61 -2.81 -0.26 -0.94 -1.51 0.00 0.00 177.39 172.48 2djb s SER 67 N -0.74 -0.08 0.00 -1.43 1.04 -1.26 -5.14 113.70 106.09 2djb s SER 67 Ca 0.45 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2djb s SER 67 Cb -0.55 0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2djb s SER 67 CO 0.45 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2djb n GLY 68 N 3.43 4.66 3.22 7.32 0.00 -1.26 -5.15 105.19 117.42 2djb n GLY 68 Ca -0.17 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 2djb n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djb n PRO 69 N -1.79 -2.98 -4.66 1.61 -0.04 -1.26 -5.06 135.00 120.82 2djb n PRO 69 Ca 0.00 -1.61 -0.33 0.00 -0.04 0.00 0.00 63.50 61.52 2djb n PRO 69 Cb 0.00 -1.51 -0.16 0.00 -0.04 0.00 0.00 33.50 31.79 2djb n PRO 69 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2djb s SER 70 N -4.22 3.32 0.33 3.54 1.04 -1.26 -5.11 113.70 111.34 2djb s SER 70 Ca 0.65 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.55 2djb s SER 70 Cb -0.06 -1.49 -0.01 0.00 0.10 0.00 0.00 66.02 64.56 2djb s SER 70 CO 0.50 0.09 0.38 -0.94 0.98 0.00 0.00 173.24 174.25 2djb s SER 71 N 0.77 1.16 0.00 7.02 1.04 -1.26 -5.36 113.70 117.07 2djb s SER 71 Ca -0.07 -1.58 0.23 0.00 0.48 0.00 0.00 55.95 55.01 2djb s SER 71 Cb -0.16 0.60 0.19 0.00 0.10 0.00 0.00 66.02 66.75 2djb s SER 71 CO -0.00 -1.18 1.24 0.61 0.98 0.00 0.00 173.24 174.89