#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djb s SER 2 N 0.00 1.11 0.17 1.61 0.15 -1.26 -5.17 113.70 110.31 2djb s SER 2 Ca 0.00 -0.99 -0.11 0.00 0.70 0.00 0.00 55.95 55.55 2djb s SER 2 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2djb s SER 2 CO 0.00 -0.46 0.33 -0.55 1.20 0.00 0.00 173.24 173.76 2djb s SER 3 N -2.98 -0.02 0.00 5.45 0.15 -1.26 -5.15 113.70 109.88 2djb s SER 3 Ca 0.11 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2djb s SER 3 Cb 0.05 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2djb s SER 3 CO -0.05 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2djb n GLY 4 N -0.23 4.13 3.64 9.45 0.00 -1.26 -5.13 105.19 115.79 2djb n GLY 4 Ca -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 2djb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djb s SER 5 N 0.00 -0.35 0.16 1.61 0.15 -1.26 -5.18 113.70 108.84 2djb s SER 5 Ca 0.00 0.60 0.10 0.00 0.70 0.00 0.00 55.95 57.35 2djb s SER 5 Cb 0.00 0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 65.16 2djb s SER 5 CO 0.00 -0.10 -0.23 -0.55 1.20 0.00 0.00 173.24 173.56 2djb s SER 6 N 0.73 3.08 0.00 5.45 0.15 -1.26 -5.10 113.70 116.75 2djb s SER 6 Ca -0.02 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2djb s SER 6 Cb -0.04 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2djb s SER 6 CO -0.12 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2djb n GLY 7 N 0.52 0.39 3.83 9.45 0.00 -1.26 -5.14 105.19 112.98 2djb n GLY 7 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 0.85 4.35 -0.01 1.61 -0.87 -1.26 -5.14 114.94 114.47 2djb s ASN 8 Ca 0.00 -1.48 0.02 0.00 -1.57 0.00 0.00 52.86 49.83 2djb s ASN 8 Cb 0.00 0.50 -0.03 0.00 -0.02 0.00 0.00 41.25 41.69 2djb s ASN 8 CO 0.00 -0.97 -0.04 -0.76 -2.57 0.00 0.00 177.10 172.76 2djb s LEU 9 N -4.06 3.33 0.35 0.60 1.02 -1.26 -5.13 118.68 113.54 2djb s LEU 9 Ca 0.18 -0.06 0.05 0.00 0.02 0.00 0.00 54.13 54.32 2djb s LEU 9 Cb -0.00 -1.87 -0.07 0.00 0.02 0.00 0.00 46.19 44.26 2djb s LEU 9 CO 0.11 0.30 0.02 -0.44 0.02 0.00 0.00 176.35 176.36 2djb s SER 10 N -1.35 3.03 0.65 2.29 0.01 -1.26 -5.11 113.70 111.95 2djb s SER 10 Ca 0.17 -1.35 -0.15 0.00 1.31 0.00 0.00 55.95 55.92 2djb s SER 10 Cb -0.11 -0.22 -0.13 0.00 0.21 0.00 0.00 66.02 65.76 2djb s SER 10 CO 0.07 -0.51 -0.40 -1.84 0.41 0.00 0.00 173.24 170.98 2djb n GLU 11 N -0.79 0.00 -3.26 12.44 0.28 -1.26 -4.88 120.64 123.17 2djb n GLU 11 Ca -0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.58 2djb n GLU 11 Cb 0.66 -0.88 -0.06 0.00 1.43 0.00 0.00 31.44 32.59 2djb n GLU 11 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2djb s LEU 12 N 5.67 4.36 -0.04 -1.84 2.34 -1.26 -5.07 118.68 122.85 2djb s LEU 12 Ca 0.43 1.02 -0.09 0.00 0.06 0.00 0.00 54.13 55.55 2djb s LEU 12 Cb -0.31 -2.82 0.01 0.00 -0.56 0.00 0.00 46.19 42.52 2djb s LEU 12 CO 0.65 0.07 0.21 0.42 -1.06 0.00 0.00 176.35 176.65 2djb s THR 13 N 0.10 0.04 -2.00 5.48 -4.23 -1.26 -5.02 115.64 108.76 2djb s THR 13 Ca 0.29 -0.36 0.10 0.00 -1.18 0.00 0.00 61.69 60.54 2djb s THR 13 Cb -0.17 -0.43 0.27 0.00 1.34 0.00 0.00 72.50 73.51 2djb s THR 13 CO 0.14 -0.20 1.01 -0.81 -0.54 0.00 0.00 174.62 174.22 2djb n PRO 14 N 2.03 0.49 -0.26 3.99 -0.04 -1.26 -3.52 135.00 136.43 2djb n PRO 14 Ca -0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 2djb n PRO 14 Cb 0.57 -1.31 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2djb n PRO 14 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2djb n TYR 15 N -0.81 0.56 0.03 0.54 9.36 -1.26 -3.90 117.16 121.69 2djb n TYR 15 Ca 0.07 -0.80 -0.01 0.00 3.32 0.00 0.00 57.90 60.48 2djb n TYR 15 Cb 0.03 -0.40 -0.00 0.00 -0.63 0.00 0.00 39.34 38.34 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 0.28 0.88 -0.70 2.97 2.08 -1.23 -5.07 119.36 118.57 2djb n ILE 16 Ca 0.11 0.27 -0.32 0.00 0.56 0.00 0.00 62.75 63.37 2djb n ILE 16 Cb 0.70 -1.59 0.15 0.00 -0.75 0.00 0.00 39.64 38.15 2djb n ILE 16 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2djb n LEU 17 N -3.39 -2.34 -4.92 1.39 4.77 -1.25 -4.42 117.00 106.84 2djb n LEU 17 Ca -0.01 -0.15 -0.20 0.00 -0.03 0.00 0.00 56.01 55.62 2djb n LEU 17 Cb 0.18 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 2djb n LEU 17 CO 0.01 -3.00 -0.02 0.00 -1.33 0.00 0.00 177.39 173.05 2djb n SER 19 N -1.49 0.87 -0.05 0.00 2.88 -1.26 -3.03 113.62 111.53 2djb n SER 19 Ca -0.02 0.27 -0.03 0.00 -1.33 0.00 0.00 58.87 57.76 2djb n SER 19 Cb 0.59 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 64.11 2djb n SER 19 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2djb n ILE 20 N -3.04 1.07 0.12 2.46 5.41 -1.26 -4.48 119.36 119.65 2djb n ILE 20 Ca -0.24 0.29 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 2djb n ILE 20 Cb 1.07 -2.17 0.17 0.00 -0.71 0.00 0.00 39.64 38.00 2djb n ILE 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2djb n LYS 22 N -3.86 -5.97 -3.43 0.00 4.76 -1.17 -4.95 118.16 103.54 2djb n LYS 22 Ca -0.02 0.72 -0.12 0.00 -2.87 0.00 0.00 58.31 56.02 2djb n LYS 22 Cb 0.59 -5.37 -0.02 0.00 -1.84 0.00 0.00 35.03 28.39 2djb n LYS 22 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2djb s GLY 23 N -3.90 -0.61 0.23 0.72 0.00 -1.26 -4.73 107.32 97.77 2djb s GLY 23 Ca 0.14 0.51 -0.18 0.00 0.00 0.00 0.00 44.72 45.20 2djb s GLY 23 CO 0.62 0.18 0.22 -1.72 0.00 0.00 0.00 173.10 172.40 2djb n TYR 24 N -0.31 -0.99 -2.45 1.90 4.01 -1.26 -3.29 117.16 114.76 2djb n TYR 24 Ca -0.17 0.59 -0.27 0.00 -0.16 0.00 0.00 57.90 57.89 2djb n TYR 24 Cb 0.65 -1.39 0.02 0.00 -0.31 0.00 0.00 39.34 38.31 2djb n TYR 24 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2djb s LEU 25 N 2.76 3.37 -0.01 7.72 1.43 -1.26 -4.88 118.68 127.80 2djb s LEU 25 Ca 0.46 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 54.33 2djb s LEU 25 Cb -0.58 -3.70 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 2djb s LEU 25 CO 0.44 -0.89 -0.09 -0.38 0.23 0.00 0.00 176.35 175.66 2djb n ILE 26 N -2.48 0.91 -0.08 -0.59 -0.00 -1.26 -4.86 119.36 111.00 2djb n ILE 26 Ca 0.03 0.16 -0.15 0.00 -0.00 0.00 0.00 62.75 62.79 2djb n ILE 26 Cb 0.57 -1.70 -0.14 0.00 -0.00 0.00 0.00 39.64 38.37 2djb n ILE 26 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2djb n ASP 27 N -3.56 1.32 -2.21 4.38 -0.08 -1.26 -5.04 116.55 110.10 2djb n ASP 27 Ca -0.08 0.04 -0.07 0.00 -1.51 0.00 0.00 54.79 53.16 2djb n ASP 27 Cb 0.33 -0.06 0.04 0.00 2.34 0.00 0.00 41.12 43.76 2djb n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2djb n ALA 28 N -2.98 -1.16 -2.55 -1.67 0.00 -1.26 -4.95 120.51 105.94 2djb n ALA 28 Ca -0.36 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 2djb n ALA 28 Cb 1.06 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.17 3.73 -0.10 0.00 2.01 -1.21 -4.92 115.64 111.98 2djb s THR 29 Ca 0.10 0.36 -0.17 0.00 0.31 0.00 0.00 61.69 62.29 2djb s THR 29 Cb -0.01 -4.92 -0.05 0.00 0.01 0.00 0.00 72.50 67.53 2djb s THR 29 CO 0.34 -1.86 0.43 -0.89 -0.69 0.00 0.00 174.62 171.95 2djb s THR 30 N 5.70 5.17 0.97 -0.82 2.01 -1.26 -2.46 115.64 124.95 2djb s THR 30 Ca 0.35 0.87 -0.12 0.00 0.31 0.00 0.00 61.69 63.10 2djb s THR 30 Cb -0.08 -3.77 0.17 0.00 0.01 0.00 0.00 72.50 68.84 2djb s THR 30 CO 0.14 0.39 1.10 -0.63 -0.69 0.00 0.00 174.62 174.93 2djb s ILE 31 N 0.24 2.18 -0.14 1.82 1.01 0.15 -4.88 121.20 121.58 2djb s ILE 31 Ca 0.24 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.97 2djb s ILE 31 Cb -0.15 -2.58 -0.10 0.00 0.01 0.00 0.00 42.46 39.63 2djb s ILE 31 CO 0.10 -0.07 -0.10 0.41 0.00 0.00 0.00 174.94 175.27 2djb n THR 32 N -4.08 0.84 0.00 2.92 -1.04 -1.26 -3.66 114.28 108.00 2djb n THR 32 Ca 0.06 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2djb n THR 32 Cb 0.57 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2djb n THR 32 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2djb n GLU 33 N -2.84 0.00 0.06 -2.82 2.13 -1.26 -3.71 120.64 112.20 2djb n GLU 33 Ca -0.25 0.42 0.12 0.00 0.66 0.00 0.00 57.16 58.11 2djb n GLU 33 Cb 0.80 -1.40 0.24 0.00 0.27 0.00 0.00 31.44 31.35 2djb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2djb n LEU 35 N -2.09 -4.10 -4.78 0.00 4.77 -1.24 -5.04 117.00 104.52 2djb n LEU 35 Ca 0.04 -0.52 -0.22 0.00 -0.03 0.00 0.00 56.01 55.28 2djb n LEU 35 Cb 0.43 -2.63 -0.05 0.00 -2.33 0.00 0.00 43.42 38.84 2djb n LEU 35 CO 0.35 0.22 -0.15 -1.00 -1.33 0.00 0.00 177.39 175.47 2djb s HIS 36 N -3.30 2.80 -0.15 -1.77 3.76 -1.26 -4.80 115.29 110.58 2djb s HIS 36 Ca 0.14 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 54.69 2djb s HIS 36 Cb -0.02 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.97 2djb s HIS 36 CO 0.59 0.29 -0.07 0.99 -0.85 0.00 0.00 174.74 175.68 2djb s THR 37 N -2.36 3.54 -0.20 1.30 2.01 -1.26 0.33 115.64 119.00 2djb s THR 37 Ca 0.39 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 2djb s THR 37 Cb -0.04 -2.53 0.06 0.00 0.01 0.00 0.00 72.50 70.00 2djb s THR 37 CO 0.24 0.50 0.48 -0.36 -0.69 0.00 0.00 174.62 174.80 2djb s PHE 38 N 0.39 -0.70 -0.15 4.92 0.08 -1.03 -4.70 117.98 116.79 2djb s PHE 38 Ca -0.07 1.49 -0.39 0.00 0.12 0.00 0.00 56.93 58.09 2djb s PHE 38 Cb -0.15 0.34 -0.15 0.00 -0.57 0.00 0.00 43.02 42.49 2djb s PHE 38 CO 0.04 -0.38 1.65 0.00 -0.10 0.00 0.00 175.22 176.43 2djb n LYS 40 N 4.70 0.01 -0.01 0.00 0.00 -1.26 -0.21 118.16 121.39 2djb n LYS 40 Ca 0.24 1.00 -0.00 0.00 0.00 0.00 0.00 58.31 59.54 2djb n LYS 40 Cb 0.16 -2.41 -0.00 0.00 0.00 0.00 0.00 35.03 32.78 2djb n LYS 40 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2djb h SER 41 N 0.00 -0.01 -0.59 3.14 0.02 -1.98 -2.92 113.55 111.21 2djb h SER 41 Ca 0.65 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.71 2djb h SER 41 Cb 3.15 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 65.60 2djb h SER 41 CO -0.01 0.13 0.10 0.00 -1.14 0.00 0.00 176.83 175.92 2djb h ILE 43 N 0.23 0.87 -0.05 0.00 6.09 -0.77 0.11 117.51 123.99 2djb h ILE 43 Ca 0.31 -0.12 -0.14 0.00 -1.37 0.00 0.00 64.86 63.53 2djb h ILE 43 Cb 0.46 0.49 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 2djb h ILE 43 CO -0.41 0.06 -0.62 0.58 -3.07 0.00 0.00 178.15 174.70 2djb h VAL 44 N 0.35 1.40 -0.10 2.19 2.07 -1.04 -2.38 116.25 118.75 2djb h VAL 44 Ca 0.21 -2.03 -0.11 0.00 0.82 0.00 0.00 66.70 65.59 2djb h VAL 44 Cb 0.20 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2djb h VAL 44 CO -0.21 0.60 -0.42 -0.09 0.02 0.00 0.00 177.57 177.47 2djb h ARG 45 N 0.13 0.22 0.02 1.57 1.12 0.10 -2.06 114.38 115.49 2djb h ARG 45 Ca -0.01 -0.11 -0.21 0.00 -1.11 0.00 0.00 59.98 58.54 2djb h ARG 45 Cb 1.12 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.05 2djb h ARG 45 CO 0.09 0.61 -1.01 1.25 -3.11 0.00 0.00 179.97 177.80 2djb h HIS 46 N 0.18 0.09 0.00 2.20 2.76 -0.70 -3.24 115.15 116.45 2djb h HIS 46 Ca 0.02 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 2djb h HIS 46 Cb 0.83 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 2djb h HIS 46 CO 0.01 1.02 -0.46 0.74 -1.30 0.00 0.00 177.93 177.95 2djb h PHE 47 N 0.02 0.00 -0.74 5.26 0.04 -1.25 0.70 116.94 120.96 2djb h PHE 47 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2djb h PHE 47 Cb 1.75 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.86 2djb h PHE 47 CO 0.01 0.46 0.46 1.88 -0.60 0.00 0.00 178.31 180.52 2djb h TYR 48 N 0.00 0.96 0.00 -0.55 0.05 -1.39 -3.33 116.97 112.71 2djb h TYR 48 Ca -0.00 0.01 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 2djb h TYR 48 Cb 1.09 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.47 2djb h TYR 48 CO 0.00 0.63 -1.95 0.66 -1.05 0.00 0.00 178.16 176.45 2djb n TYR 49 N -4.40 0.00 -3.58 4.88 4.01 -1.19 -4.91 117.16 111.97 2djb n TYR 49 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.41 2djb n TYR 49 Cb 0.06 -0.62 -0.10 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 -6.08 5.70 0.00 7.72 0.01 0.24 -4.96 113.70 116.33 2djb s SER 50 Ca -0.23 -1.46 -0.03 0.00 1.31 0.00 0.00 55.95 55.54 2djb s SER 50 Cb 0.08 -2.01 -0.15 0.00 0.21 0.00 0.00 66.02 64.15 2djb s SER 50 CO 0.34 -0.54 2.44 -0.46 0.41 0.00 0.00 173.24 175.43 2djb n ASN 51 N 4.95 3.81 -3.60 2.44 6.94 -1.26 -3.43 115.26 125.12 2djb n ASN 51 Ca -0.10 -2.16 -0.12 0.00 -0.02 0.00 0.00 54.58 52.18 2djb n ASN 51 Cb 0.43 -0.98 -0.05 0.00 -2.36 0.00 0.00 39.78 36.83 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2djb s ARG 52 N 1.30 1.06 0.00 -3.83 0.52 -1.26 -4.05 118.95 112.70 2djb s ARG 52 Ca 0.36 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 2djb s ARG 52 Cb 0.17 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 36.08 2djb s ARG 52 CO 0.00 -0.41 1.20 0.00 0.02 0.00 0.00 175.30 176.11 2djb n PRO 54 N 4.57 0.49 -0.00 0.00 -0.04 -1.26 0.25 135.00 139.01 2djb n PRO 54 Ca 0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 2djb n PRO 54 Cb 0.46 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.90 2djb n PRO 54 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2djb n LYS 55 N -0.53 0.05 0.02 0.54 0.00 -1.26 -4.83 118.16 112.15 2djb n LYS 55 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 58.31 58.45 2djb n LYS 55 Cb 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 35.03 34.61 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2djb n ASN 57 N -2.06 -2.29 -4.66 0.00 4.13 0.14 -4.96 115.26 105.55 2djb n ASN 57 Ca 0.00 -0.34 -0.28 0.00 1.68 0.00 0.00 54.58 55.65 2djb n ASN 57 Cb 0.47 -2.99 -0.08 0.00 -1.54 0.00 0.00 39.78 35.65 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2djb s ILE 58 N -3.19 3.78 -0.56 2.41 -4.36 -1.26 -4.69 121.20 113.32 2djb s ILE 58 Ca 0.03 -1.28 -0.26 0.00 -0.26 0.00 0.00 60.65 58.87 2djb s ILE 58 Cb -0.00 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 2djb s ILE 58 CO 0.39 -0.02 2.04 -0.69 0.24 0.00 0.00 174.94 176.90 2djb s VAL 59 N -1.56 3.24 -0.78 8.37 1.01 -1.26 -1.74 120.40 127.68 2djb s VAL 59 Ca 0.26 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2djb s VAL 59 Cb -0.10 -3.63 0.19 0.00 0.00 0.00 0.00 36.38 32.84 2djb s VAL 59 CO 0.18 -0.60 0.62 -0.69 0.00 0.00 0.00 175.10 174.61 2djb s VAL 60 N 10.06 3.67 0.49 2.92 1.01 -1.26 -5.01 120.40 132.28 2djb s VAL 60 Ca 0.77 -3.91 -0.03 0.00 0.00 0.00 0.00 61.98 58.81 2djb s VAL 60 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2djb s VAL 60 CO 0.23 -1.02 0.75 -1.38 0.00 0.00 0.00 175.10 173.68 2djb s HIS 61 N -1.22 3.38 0.23 5.22 -3.43 -1.26 -4.80 115.29 113.40 2djb s HIS 61 Ca 0.25 0.55 0.01 0.00 -0.80 0.00 0.00 55.06 55.07 2djb s HIS 61 Cb -0.08 -2.37 -0.05 0.00 -1.43 0.00 0.00 32.58 28.65 2djb s HIS 61 CO -0.13 -0.40 0.08 -0.65 -2.00 0.00 0.00 174.74 171.64 2djb s GLN 62 N -4.70 1.29 -0.12 -0.38 -1.52 -1.26 -5.15 119.66 107.82 2djb s GLN 62 Ca 0.48 -1.68 -0.01 0.00 -1.95 0.00 0.00 55.36 52.20 2djb s GLN 62 Cb -0.10 -0.18 0.04 0.00 -0.22 0.00 0.00 33.01 32.55 2djb s GLN 62 CO 0.42 -0.27 -0.02 0.95 -0.25 0.00 0.00 175.29 176.12 2djb s THR 63 N -3.79 0.69 -0.15 -0.19 -4.23 -1.26 -5.13 115.64 101.58 2djb s THR 63 Ca 0.34 -0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.55 2djb s THR 63 Cb 0.07 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 2djb s THR 63 CO 0.11 0.18 0.08 0.00 -0.54 0.00 0.00 174.62 174.44 2djb s GLN 64 N 1.83 3.65 0.69 3.99 -2.07 -1.26 -5.10 119.66 121.38 2djb s GLN 64 Ca 0.03 -0.29 -0.14 0.00 -1.82 0.00 0.00 55.36 53.15 2djb s GLN 64 Cb -0.14 -3.14 0.01 0.00 -1.09 0.00 0.00 33.01 28.66 2djb s GLN 64 CO -0.07 0.50 1.11 -1.25 -1.32 0.00 0.00 175.29 174.26 2djb s PRO 65 N -0.28 2.67 0.20 9.60 0.04 -1.26 -4.94 135.00 141.03 2djb s PRO 65 Ca 0.09 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 2djb s PRO 65 Cb -0.12 -1.94 0.24 0.00 0.04 0.00 0.00 34.50 32.72 2djb s PRO 65 CO 0.01 -1.34 1.67 -0.07 0.04 0.00 0.00 177.00 177.32 2djb h LEU 66 N -0.24 -0.24 -9.30 -3.56 3.38 -2.04 -3.42 115.31 99.89 2djb h LEU 66 Ca -0.46 0.13 -0.61 0.00 0.09 0.00 0.00 57.88 57.04 2djb h LEU 66 Cb 1.24 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 42.10 2djb h LEU 66 CO 0.53 -0.09 -0.73 -0.44 0.09 0.00 0.00 178.44 177.80 2djb s SER 67 N -5.25 3.97 0.00 -0.43 0.01 -1.26 -5.10 113.70 105.64 2djb s SER 67 Ca -0.13 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2djb s SER 67 Cb 0.17 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2djb s SER 67 CO 0.73 0.06 0.00 0.61 0.41 0.00 0.00 173.24 175.04 2djb n GLY 68 N -0.42 0.17 3.73 3.44 0.00 -1.26 -5.02 105.19 105.83 2djb n GLY 68 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2djb n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djb s PRO 69 N 0.00 1.43 -0.01 1.61 0.04 -1.26 -5.08 135.00 131.74 2djb s PRO 69 Ca 0.00 0.88 0.01 0.00 0.04 0.00 0.00 61.00 61.94 2djb s PRO 69 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2djb s PRO 69 CO 0.00 -2.14 -0.04 -1.12 0.04 0.00 0.00 177.00 173.74 2djb s SER 70 N -3.42 0.59 -0.20 6.66 0.01 -1.26 -5.13 113.70 110.95 2djb s SER 70 Ca 0.63 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.76 2djb s SER 70 Cb -0.18 -0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.02 2djb s SER 70 CO 0.57 0.03 0.14 -0.55 0.41 0.00 0.00 173.24 173.84 2djb s SER 71 N 0.09 2.27 0.00 2.44 0.15 -1.26 -5.26 113.70 112.13 2djb s SER 71 Ca -0.01 -0.64 0.16 0.00 0.70 0.00 0.00 55.95 56.17 2djb s SER 71 Cb -0.04 -0.07 0.96 0.00 -1.71 0.00 0.00 66.02 65.16 2djb s SER 71 CO -0.00 -0.36 1.37 0.61 1.20 0.00 0.00 173.24 176.06