#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rd1 s ASN 23 N 0.00 2.76 0.08 8.00 0.02 -1.26 0.80 114.94 125.34 2rd1 s ASN 23 Ca 0.00 -0.43 0.06 0.00 -1.02 0.00 0.00 52.86 51.47 2rd1 s ASN 23 Cb 0.00 -0.36 -0.03 0.00 0.02 0.00 0.00 41.25 40.88 2rd1 s ASN 23 CO 0.00 0.28 -0.15 -0.31 0.02 0.00 0.00 177.10 176.94 2rd1 s TYR 24 N -0.50 1.32 0.53 2.20 1.51 -1.03 -0.75 117.35 120.63 2rd1 s TYR 24 Ca 0.08 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 2rd1 s TYR 24 Cb -0.09 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 41.03 2rd1 s TYR 24 CO -0.00 0.09 0.16 0.08 -1.11 0.00 0.00 175.55 174.77 2rd1 s VAL 25 N -1.32 1.33 -0.29 0.71 1.01 0.14 -0.03 120.40 121.95 2rd1 s VAL 25 Ca 0.00 -1.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.03 2rd1 s VAL 25 Cb -0.10 -2.13 0.16 0.00 0.00 0.00 0.00 36.38 34.31 2rd1 s VAL 25 CO 0.03 0.00 1.00 -0.89 0.00 0.00 0.00 175.10 175.23 2rd1 s THR 27 N -2.84 -0.17 0.40 3.92 2.01 0.12 -0.83 115.64 118.25 2rd1 s THR 27 Ca 0.16 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2rd1 s THR 27 Cb -0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2rd1 s THR 27 CO 0.10 0.00 0.61 0.42 -0.69 0.00 0.00 174.62 175.06 2rd1 s THR 28 N 1.70 4.58 0.26 -0.82 -4.23 -0.63 0.97 115.64 117.46 2rd1 s THR 28 Ca -0.07 -0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.96 2rd1 s THR 28 Cb -0.04 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.37 2rd1 s THR 28 CO -0.15 -0.46 1.82 0.50 -0.54 0.00 0.00 174.62 175.79 2rd1 h LYS 29 N 0.58 0.88 -0.03 3.99 3.64 -0.95 -0.68 116.57 124.00 2rd1 h LYS 29 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2rd1 h LYS 29 Cb 1.23 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2rd1 h LYS 29 CO 0.59 0.58 0.00 0.27 -2.27 0.00 0.00 179.45 178.62 2rd1 n ASN 30 N -4.67 0.18 0.00 4.20 6.94 -1.26 -4.90 115.26 115.74 2rd1 n ASN 30 Ca 0.16 -1.83 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 2rd1 n ASN 30 Cb 0.31 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 2rd1 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2rd1 n GLY 31 N 0.64 0.82 3.86 4.83 0.00 -0.26 -5.08 105.19 109.99 2rd1 n GLY 31 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2rd1 n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rd1 s GLN 32 N -0.64 3.88 -0.19 1.61 -0.21 -1.26 -4.84 119.66 118.01 2rd1 s GLN 32 Ca 0.00 0.60 -0.00 0.00 0.02 0.00 0.00 55.36 55.98 2rd1 s GLN 32 Cb 0.00 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.65 2rd1 s GLN 32 CO 0.00 -0.01 -0.15 0.99 -2.12 0.00 0.00 175.29 174.00 2rd1 s THR 33 N -2.28 2.45 -0.07 -0.19 2.01 -1.26 -1.61 115.64 114.70 2rd1 s THR 33 Ca 0.53 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.74 2rd1 s THR 33 Cb -0.10 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.36 2rd1 s THR 33 CO 0.27 0.51 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.97 2rd1 s ILE 34 N 1.31 1.03 -0.00 1.82 1.01 -1.26 -5.04 121.20 120.06 2rd1 s ILE 34 Ca 0.04 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 2rd1 s ILE 34 Cb -0.14 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 2rd1 s ILE 34 CO -0.09 0.33 0.50 -0.69 0.00 0.00 0.00 174.94 174.99 2rd1 s VAL 35 N 0.78 4.95 0.32 2.92 1.01 -1.26 -4.42 120.40 124.70 2rd1 s VAL 35 Ca -0.13 1.04 0.09 0.00 0.00 0.00 0.00 61.98 62.98 2rd1 s VAL 35 Cb -0.15 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2rd1 s VAL 35 CO 0.02 0.50 -0.09 0.42 0.00 0.00 0.00 175.10 175.95 2rd1 s THR 36 N -0.63 2.06 -0.33 3.92 -4.23 0.96 -4.08 115.64 113.30 2rd1 s THR 36 Ca 0.27 -2.20 -0.10 0.00 -1.18 0.00 0.00 61.69 58.48 2rd1 s THR 36 Cb -0.17 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.13 2rd1 s THR 36 CO 0.15 -0.26 0.16 -1.10 -0.54 0.00 0.00 174.62 173.04 2rd1 s GLN 37 N -3.64 3.13 0.00 3.99 -0.21 -0.61 -2.46 119.66 119.87 2rd1 s GLN 37 Ca 0.31 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.83 2rd1 s GLN 37 Cb 0.02 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.43 2rd1 s GLN 37 CO 0.15 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 2rd1 n GLY 38 N 4.97 -1.91 3.69 3.09 0.00 0.24 -4.44 105.19 110.83 2rd1 n GLY 38 Ca -0.13 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 2rd1 n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rd1 s LYS 39 N -2.59 4.38 0.66 1.61 2.20 -1.26 -4.48 119.74 120.26 2rd1 s LYS 39 Ca 0.00 1.58 -0.18 0.00 -0.36 0.00 0.00 55.97 57.01 2rd1 s LYS 39 Cb 0.00 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2rd1 s LYS 39 CO 0.00 -0.39 1.23 -2.30 -0.36 0.00 0.00 175.35 173.54 2rd1 n PRO 40 N 5.06 1.00 -4.63 4.03 -0.02 -1.26 -5.00 135.00 134.17 2rd1 n PRO 40 Ca 0.10 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 2rd1 n PRO 40 Cb 0.47 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 2rd1 n PRO 40 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2rd1 s GLN 41 N -3.35 2.88 -0.15 -0.52 -1.52 -0.52 -4.96 119.66 111.51 2rd1 s GLN 41 Ca 0.81 -0.56 -0.03 0.00 -1.95 0.00 0.00 55.36 53.63 2rd1 s GLN 41 Cb -0.38 -2.62 -0.02 0.00 -0.22 0.00 0.00 33.01 29.77 2rd1 s GLN 41 CO 0.42 0.58 -0.06 -1.17 -0.25 0.00 0.00 175.29 174.82 2rd1 s LEU 42 N -0.60 3.13 -0.41 2.90 2.96 -1.26 -1.24 118.68 124.16 2rd1 s LEU 42 Ca 0.09 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 2rd1 s LEU 42 Cb -0.12 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 44.89 2rd1 s LEU 42 CO 0.02 0.16 0.25 -1.81 -1.32 0.00 0.00 176.35 173.65 2rd1 s ASP 43 N 0.39 5.69 0.00 3.68 1.01 -1.26 -4.94 116.67 121.24 2rd1 s ASP 43 Ca -0.05 -1.32 0.09 0.00 0.71 0.00 0.00 52.55 51.98 2rd1 s ASP 43 Cb -0.15 -2.01 0.54 0.00 1.01 0.00 0.00 42.92 42.32 2rd1 s ASP 43 CO 0.03 -0.49 0.96 0.29 0.21 0.00 0.00 175.17 176.18 2rd1 n LYS 44 N 4.96 0.36 -0.00 8.23 5.02 -1.26 -1.54 118.16 133.93 2rd1 n LYS 44 Ca -0.11 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.22 2rd1 n LYS 44 Cb 0.44 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 2rd1 n LYS 44 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2rd1 n GLU 45 N -0.90 3.87 0.00 1.97 4.71 -1.26 -4.60 120.64 124.43 2rd1 n GLU 45 Ca 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2rd1 n GLU 45 Cb 0.03 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 2rd1 n GLU 45 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2rd1 n THR 46 N -1.24 0.00 -2.86 2.62 -2.24 -0.91 -5.26 114.28 104.39 2rd1 n THR 46 Ca 0.02 -0.40 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2rd1 n THR 46 Cb 0.14 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.41 2rd1 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rd1 n GLY 47 N 0.69 -1.09 3.31 3.38 0.00 -0.59 -4.97 105.19 105.91 2rd1 n GLY 47 Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 46.02 46.44 2rd1 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rd1 s THR 49 N -3.04 -0.60 0.02 2.61 2.01 0.14 -0.64 115.64 116.14 2rd1 s THR 49 Ca 0.04 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 2rd1 s THR 49 Cb -0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 2rd1 s THR 49 CO 0.65 0.00 0.36 -0.94 -0.69 0.00 0.00 174.62 173.99 2rd1 s SER 50 N 2.72 6.65 0.24 3.53 1.04 -0.38 -0.48 113.70 127.02 2rd1 s SER 50 Ca 0.02 0.78 -0.07 0.00 0.48 0.00 0.00 55.95 57.17 2rd1 s SER 50 Cb -0.10 -2.18 -0.02 0.00 0.10 0.00 0.00 66.02 63.83 2rd1 s SER 50 CO -0.16 0.26 0.33 -0.72 0.98 0.00 0.00 173.24 173.93 2rd1 s TYR 51 N -1.23 0.79 -0.21 5.02 1.13 -0.42 -1.44 117.35 120.99 2rd1 s TYR 51 Ca 0.27 -1.07 0.01 0.00 -1.41 0.00 0.00 57.07 54.88 2rd1 s TYR 51 Cb -0.15 -0.16 0.03 0.00 -1.10 0.00 0.00 41.96 40.58 2rd1 s TYR 51 CO 0.15 -0.86 -0.16 0.99 -2.51 0.00 0.00 175.55 173.15 2rd1 s THR 52 N -3.97 2.18 0.71 -3.49 2.01 -1.26 0.32 115.64 112.14 2rd1 s THR 52 Ca 0.30 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 2rd1 s THR 52 Cb 0.03 -2.04 0.18 0.00 0.01 0.00 0.00 72.50 70.67 2rd1 s THR 52 CO 0.12 0.35 0.61 -0.90 -0.69 0.00 0.00 174.62 174.11 2rd1 n ASP 53 N 4.58 -1.76 0.00 3.53 5.68 0.19 -1.57 116.55 127.20 2rd1 n ASP 53 Ca -0.19 -0.84 0.07 0.00 -0.50 0.00 0.00 54.79 53.33 2rd1 n ASP 53 Cb 0.48 -0.57 0.35 0.00 -1.14 0.00 0.00 41.12 40.24 2rd1 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rd1 n GLN 54 N -3.46 0.14 -0.79 0.11 1.13 -1.26 -2.16 117.38 111.10 2rd1 n GLN 54 Ca 0.09 0.18 -0.01 0.00 -1.94 0.00 0.00 57.00 55.31 2rd1 n GLN 54 Cb 0.33 -1.50 0.26 0.00 0.11 0.00 0.00 30.24 29.45 2rd1 n GLN 54 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2rd1 n GLU 55 N -1.35 2.99 0.00 -1.09 1.02 -1.26 -4.91 120.64 116.04 2rd1 n GLU 55 Ca 0.06 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 2rd1 n GLU 55 Cb 0.13 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 2rd1 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rd1 n GLY 56 N -0.53 0.98 3.76 0.62 0.00 -0.92 -4.93 105.19 104.18 2rd1 n GLY 56 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 2rd1 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rd1 s ASN 57 N -2.63 5.81 -0.16 1.61 0.01 -1.26 -4.74 114.94 113.58 2rd1 s ASN 57 Ca 0.00 2.65 -0.06 0.00 -0.71 0.00 0.00 52.86 54.74 2rd1 s ASN 57 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 2rd1 s ASN 57 CO 0.00 -1.19 0.05 -1.10 -1.51 0.00 0.00 177.10 173.34 2rd1 s GLN 58 N -2.64 3.77 0.44 -0.60 -0.21 -1.26 -0.63 119.66 118.53 2rd1 s GLN 58 Ca 0.65 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.69 2rd1 s GLN 58 Cb -0.37 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.51 2rd1 s GLN 58 CO 0.46 0.36 0.09 0.54 -2.12 0.00 0.00 175.29 174.62 2rd1 n ARG 59 N 3.24 0.66 -3.74 2.91 5.12 0.15 -4.98 116.66 120.01 2rd1 n ARG 59 Ca -0.17 -3.53 -0.13 0.00 -1.93 0.00 0.00 57.85 52.09 2rd1 n ARG 59 Cb 0.53 1.54 -0.09 0.00 -1.16 0.00 0.00 32.46 33.28 2rd1 n ARG 59 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2rd1 s GLU 60 N -3.65 0.61 -0.01 5.56 2.12 -1.26 -1.30 118.70 120.78 2rd1 s GLU 60 Ca 0.13 0.06 -0.09 0.00 0.36 0.00 0.00 54.97 55.43 2rd1 s GLU 60 Cb 0.01 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.68 2rd1 s GLU 60 CO 0.09 -0.15 0.18 -1.50 -0.54 0.00 0.00 175.26 173.34 2rd1 s ILE 61 N -0.83 0.07 0.13 -3.70 2.07 0.36 -4.93 121.20 114.38 2rd1 s ILE 61 Ca -0.09 -0.58 -0.31 0.00 -1.41 0.00 0.00 60.65 58.26 2rd1 s ILE 61 Cb -0.04 -0.45 -0.11 0.00 0.13 0.00 0.00 42.46 41.99 2rd1 s ILE 61 CO 0.03 -0.32 1.82 0.21 -1.91 0.00 0.00 174.94 174.78 2rd1 s ASN 62 N -1.23 6.42 0.65 4.50 2.47 -1.26 0.23 114.94 126.72 2rd1 s ASN 62 Ca -0.13 2.77 0.33 0.00 0.42 0.00 0.00 52.86 56.25 2rd1 s ASN 62 Cb -0.07 -2.57 1.79 0.00 -1.45 0.00 0.00 41.25 38.96 2rd1 s ASN 62 CO 0.02 -1.00 2.03 0.28 -3.72 0.00 0.00 177.10 174.71 2rd1 h SER 63 N 8.45 0.00 1.54 -4.21 0.02 -1.24 0.15 113.55 118.26 2rd1 h SER 63 Ca -0.46 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 2rd1 h SER 63 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2rd1 h SER 63 CO 0.95 0.00 -0.27 0.78 -1.14 0.00 0.00 176.83 177.15 2rd1 h ASN 64 N 0.00 0.00 -0.01 3.07 4.21 -1.88 -3.13 115.58 117.83 2rd1 h ASN 64 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2rd1 h ASN 64 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 2rd1 h ASN 64 CO -0.00 0.27 0.00 0.47 -1.29 0.00 0.00 177.43 176.88 2rd1 n ASP 65 N -3.21 0.43 -4.52 5.81 8.00 0.52 -4.75 116.55 118.84 2rd1 n ASP 65 Ca 0.02 -1.22 -0.41 0.00 0.71 0.00 0.00 54.79 53.90 2rd1 n ASP 65 Cb 0.60 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.59 2rd1 n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rd1 s VAL 66 N -1.99 5.24 -0.13 2.53 1.01 -1.18 -0.27 120.40 125.61 2rd1 s VAL 66 Ca 0.42 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 2rd1 s VAL 66 Cb 0.20 -3.72 -0.17 0.00 0.00 0.00 0.00 36.38 32.69 2rd1 s VAL 66 CO 0.33 -0.04 0.51 0.00 0.00 0.00 0.00 175.10 175.90 2rd1 h ALA 67 N 8.50 0.00 -2.81 5.51 0.00 0.36 -3.46 119.26 127.37 2rd1 h ALA 67 Ca -0.31 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 2rd1 h ALA 67 Cb 1.15 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 2rd1 h ALA 67 CO 0.64 0.01 -0.57 -0.65 0.00 0.00 0.00 179.25 178.69 2rd1 s GLN 68 N -2.01 0.44 -0.31 0.00 -0.21 -0.92 -4.97 119.66 111.68 2rd1 s GLN 68 Ca -0.13 -0.52 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 2rd1 s GLN 68 Cb -0.02 0.17 0.10 0.00 1.00 0.00 0.00 33.01 34.26 2rd1 s GLN 68 CO 0.47 -0.10 0.09 -1.17 -2.12 0.00 0.00 175.29 172.46 2rd1 s LEU 69 N -1.51 2.30 -0.11 2.90 2.96 -1.26 -0.70 118.68 123.25 2rd1 s LEU 69 Ca -0.14 -1.63 0.02 0.00 -0.22 0.00 0.00 54.13 52.16 2rd1 s LEU 69 Cb -0.08 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 2rd1 s LEU 69 CO -0.00 -0.41 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.81 2rd1 s ILE 70 N 1.60 2.57 0.04 6.68 1.01 -0.01 -4.93 121.20 128.16 2rd1 s ILE 70 Ca 0.09 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 2rd1 s ILE 70 Cb -0.17 -2.04 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 2rd1 s ILE 70 CO -0.24 0.54 1.51 -0.75 0.00 0.00 0.00 174.94 176.00 2rd1 s LYS 71 N 0.33 4.25 0.46 2.79 2.20 -1.26 0.26 119.74 128.77 2rd1 s LYS 71 Ca -0.14 2.13 -0.23 0.00 -0.36 0.00 0.00 55.97 57.37 2rd1 s LYS 71 Cb -0.17 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.52 2rd1 s LYS 71 CO 0.07 -0.64 1.15 0.00 -0.36 0.00 0.00 175.35 175.57 2rd1 s ALA 72 N 2.41 2.97 0.05 3.13 0.00 0.07 -4.89 121.76 125.49 2rd1 s ALA 72 Ca 0.68 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 2rd1 s ALA 72 Cb -0.35 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2rd1 s ALA 72 CO 0.29 -0.61 0.27 -0.51 0.00 0.00 0.00 175.76 175.20 2rd1 s ASP 73 N -1.42 6.45 0.14 0.00 1.01 -1.26 -4.85 116.67 116.73 2rd1 s ASP 73 Ca 0.64 0.48 -0.13 0.00 0.71 0.00 0.00 52.55 54.24 2rd1 s ASP 73 Cb -0.27 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2rd1 s ASP 73 CO 0.33 0.19 1.54 0.25 0.21 0.00 0.00 175.17 177.69 2rd1 h LEU 74 N 3.50 0.85 -8.40 1.23 5.85 -2.00 -3.47 115.31 112.88 2rd1 h LEU 74 Ca -0.48 -0.37 -0.19 0.00 0.84 0.00 0.00 57.88 57.68 2rd1 h LEU 74 Cb 1.18 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 2rd1 h LEU 74 CO 0.70 1.03 -0.15 -1.83 -0.34 0.00 0.00 178.44 177.85 2rd1 s GLU 75 N -4.76 1.81 0.25 1.25 1.03 -1.26 -5.16 118.70 111.85 2rd1 s GLU 75 Ca -0.12 -1.58 -0.18 0.00 0.03 0.00 0.00 54.97 53.12 2rd1 s GLU 75 Cb 0.11 0.46 -0.08 0.00 -0.80 0.00 0.00 34.13 33.81 2rd1 s GLU 75 CO 0.83 -0.76 0.71 -3.38 -1.33 0.00 0.00 175.26 171.34 2rd1 s HIS 76 N -3.31 3.55 0.10 4.83 -3.43 -1.26 -5.08 115.29 110.70 2rd1 s HIS 76 Ca 0.27 1.30 -0.13 0.00 -0.80 0.00 0.00 55.06 55.71 2rd1 s HIS 76 Cb -0.01 -2.57 0.02 0.00 -1.43 0.00 0.00 32.58 28.59 2rd1 s HIS 76 CO 0.16 0.26 0.30 -3.38 -2.00 0.00 0.00 174.74 170.08 2rd1 s HIS 77 N -1.67 -0.05 0.00 0.38 -3.43 -1.26 -5.26 115.29 104.01 2rd1 s HIS 77 Ca 0.46 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.41 2rd1 s HIS 77 Cb -0.14 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.12 2rd1 s HIS 77 CO 0.20 -0.62 0.00 0.72 -2.00 0.00 0.00 174.74 173.03