#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hd3 n LYS 6 N 0.00 4.39 -1.91 1.61 4.01 -1.26 -4.72 118.16 120.28 1hd3 n LYS 6 Ca 0.00 -0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.46 1hd3 n LYS 6 Cb 0.00 -0.86 0.03 0.00 -0.51 0.00 0.00 35.03 33.69 1hd3 n LYS 6 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1hd3 s GLU 7 N -1.72 2.99 0.15 1.97 2.12 -1.26 -4.87 118.70 118.08 1hd3 s GLU 7 Ca 0.02 1.42 0.08 0.00 0.36 0.00 0.00 54.97 56.85 1hd3 s GLU 7 Cb 0.05 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 1hd3 s GLU 7 CO 0.30 -1.11 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.32 1hd3 s LEU 8 N -4.58 3.06 0.03 2.70 1.43 -1.26 -0.21 118.68 119.85 1hd3 s LEU 8 Ca 0.68 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1hd3 s LEU 8 Cb -0.21 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1hd3 s LEU 8 CO 0.38 0.13 -0.05 0.68 0.23 0.00 0.00 176.35 177.71 1hd3 s VAL 9 N -1.52 0.33 -0.22 -1.59 -7.23 0.73 -1.17 120.40 109.72 1hd3 s VAL 9 Ca 0.24 -0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 59.41 1hd3 s VAL 9 Cb -0.10 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 1hd3 s VAL 9 CO 0.15 -0.38 0.14 -0.22 -0.31 0.00 0.00 175.10 174.47 1hd3 s LEU 10 N -1.37 4.12 -0.16 1.32 2.96 0.36 -0.19 118.68 125.72 1hd3 s LEU 10 Ca -0.11 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 1hd3 s LEU 10 Cb -0.09 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1hd3 s LEU 10 CO -0.00 0.13 1.31 0.00 -1.32 0.00 0.00 176.35 176.47 1hd3 s ALA 11 N 0.69 3.64 -0.15 5.97 0.00 0.32 -1.09 121.76 131.13 1hd3 s ALA 11 Ca 0.07 0.49 0.15 0.00 0.00 0.00 0.00 51.96 52.67 1hd3 s ALA 11 Cb -0.12 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1hd3 s ALA 11 CO 0.01 -1.24 1.40 -0.07 0.00 0.00 0.00 175.76 175.86 1hd3 h LEU 12 N 9.88 0.00 -8.56 0.00 3.38 -1.22 -1.00 115.31 117.78 1hd3 h LEU 12 Ca -0.28 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 1hd3 h LEU 12 Cb 1.11 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 1hd3 h LEU 12 CO 0.97 0.52 -0.48 -0.31 0.09 0.00 0.00 178.44 179.23 1hd3 s TYR 13 N -2.95 1.08 0.43 1.13 2.02 -1.24 -4.84 117.35 112.97 1hd3 s TYR 13 Ca 0.03 -1.29 -0.20 0.00 -0.37 0.00 0.00 57.07 55.25 1hd3 s TYR 13 Cb 0.08 -0.41 -0.10 0.00 -0.40 0.00 0.00 41.96 41.12 1hd3 s TYR 13 CO 0.75 -0.77 0.93 -0.51 -1.57 0.00 0.00 175.55 174.39 1hd3 s ASP 14 N -3.17 6.89 -0.25 2.29 1.01 -1.26 -3.21 116.67 118.97 1hd3 s ASP 14 Ca 0.36 1.63 -0.06 0.00 0.71 0.00 0.00 52.55 55.18 1hd3 s ASP 14 Cb 0.05 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.58 1hd3 s ASP 14 CO 0.14 -0.37 0.52 -0.47 0.21 0.00 0.00 175.17 175.20 1hd3 s TYR 15 N -2.21 -1.11 -0.11 4.23 5.04 0.09 -4.93 117.35 118.35 1hd3 s TYR 15 Ca 0.61 1.70 -0.13 0.00 -2.44 0.00 0.00 57.07 56.81 1hd3 s TYR 15 Cb -0.09 0.46 -0.05 0.00 0.35 0.00 0.00 41.96 42.63 1hd3 s TYR 15 CO 0.15 -0.65 0.31 -1.14 -1.34 0.00 0.00 175.55 172.89 1hd3 s GLN 16 N 2.73 4.05 0.18 4.97 0.74 -1.26 -1.20 119.66 129.87 1hd3 s GLN 16 Ca 0.03 0.16 -0.33 0.00 0.05 0.00 0.00 55.36 55.27 1hd3 s GLN 16 Cb -0.13 -3.34 -0.13 0.00 1.10 0.00 0.00 33.01 30.51 1hd3 s GLN 16 CO -0.17 0.43 1.60 -0.85 -0.55 0.00 0.00 175.29 175.76 1hd3 n GLU 17 N 2.89 2.28 0.00 1.67 0.28 -1.26 -4.91 120.64 121.58 1hd3 n GLU 17 Ca -0.13 0.82 0.10 0.00 -0.16 0.00 0.00 57.16 57.79 1hd3 n GLU 17 Cb 0.52 -2.60 -0.02 0.00 1.43 0.00 0.00 31.44 30.77 1hd3 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1hd3 n LYS 18 N 3.44 1.27 -3.63 3.44 4.01 -1.26 -4.99 118.16 120.45 1hd3 n LYS 18 Ca 0.16 -0.75 -0.10 0.00 -0.51 0.00 0.00 58.31 57.11 1hd3 n LYS 18 Cb 0.30 -1.40 -0.04 0.00 -0.51 0.00 0.00 35.03 33.38 1hd3 n LYS 18 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1hd3 s SER 19 N -2.36 -0.25 0.55 4.39 1.04 -1.26 -5.05 113.70 110.76 1hd3 s SER 19 Ca 0.15 -0.31 0.29 0.00 0.48 0.00 0.00 55.95 56.55 1hd3 s SER 19 Cb 0.16 0.48 1.45 0.00 0.10 0.00 0.00 66.02 68.22 1hd3 s SER 19 CO 0.56 -0.87 1.94 -0.65 0.98 0.00 0.00 173.24 175.20 1hd3 h PRO 20 N 2.34 0.00 -0.00 4.02 0.11 -2.03 -1.05 132.00 135.38 1hd3 h PRO 20 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1hd3 h PRO 20 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1hd3 h PRO 20 CO 0.46 0.00 -0.14 0.54 -0.21 0.00 0.00 178.00 178.65 1hd3 n ARG 21 N -4.18 0.45 -2.84 1.05 5.12 -1.26 -4.90 116.66 110.10 1hd3 n ARG 21 Ca 0.13 -0.15 -0.21 0.00 -1.93 0.00 0.00 57.85 55.69 1hd3 n ARG 21 Cb 0.75 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.58 1hd3 n ARG 21 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1hd3 s GLU 22 N -2.65 2.76 0.09 5.56 2.02 -0.40 -0.61 118.70 125.47 1hd3 s GLU 22 Ca 0.24 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.49 1hd3 s GLU 22 Cb 0.19 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 1hd3 s GLU 22 CO 0.52 -0.49 -0.12 0.54 0.02 0.00 0.00 175.26 175.73 1hd3 s VAL 23 N -2.61 1.04 0.01 2.63 0.11 -0.71 -4.52 120.40 116.35 1hd3 s VAL 23 Ca 0.54 -1.53 -0.13 0.00 -2.93 0.00 0.00 61.98 57.92 1hd3 s VAL 23 Cb -0.10 -1.27 -0.06 0.00 -1.53 0.00 0.00 36.38 33.42 1hd3 s VAL 23 CO 0.37 -0.43 0.39 -0.89 -3.33 0.00 0.00 175.10 171.20 1hd3 s THR 24 N -2.01 5.08 0.04 5.04 2.01 -1.26 -4.17 115.64 120.37 1hd3 s THR 24 Ca 0.03 0.69 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 1hd3 s THR 24 Cb -0.06 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1hd3 s THR 24 CO 0.01 0.50 0.11 0.00 -0.69 0.00 0.00 174.62 174.56 1hd3 s MET 25 N -1.30 0.63 0.10 4.92 0.23 -0.34 -4.89 119.30 118.65 1hd3 s MET 25 Ca 0.26 -0.78 0.06 0.00 -1.03 0.00 0.00 55.69 54.20 1hd3 s MET 25 Cb -0.16 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.35 1hd3 s MET 25 CO 0.14 -0.16 -0.05 0.15 -2.03 0.00 0.00 175.02 173.06 1hd3 s LYS 26 N -2.80 2.32 0.36 3.16 1.02 -1.26 -0.73 119.74 121.80 1hd3 s LYS 26 Ca -0.03 -0.95 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 1hd3 s LYS 26 Cb -0.00 -2.41 -0.11 0.00 -0.52 0.00 0.00 37.83 34.79 1hd3 s LYS 26 CO -0.05 0.52 1.53 0.21 -0.92 0.00 0.00 175.35 176.63 1hd3 s LYS 27 N -2.30 4.10 0.00 1.68 2.20 -1.20 -1.73 119.74 122.49 1hd3 s LYS 27 Ca 0.24 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 1hd3 s LYS 27 Cb -0.11 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1hd3 s LYS 27 CO 0.16 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1hd3 n GLY 28 N 0.93 2.29 3.77 5.54 0.00 -0.38 -4.98 105.19 112.36 1hd3 n GLY 28 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1hd3 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hd3 s ASP 29 N -1.54 6.28 -0.33 1.61 1.01 -0.71 -4.74 116.67 118.25 1hd3 s ASP 29 Ca 0.00 2.68 -0.08 0.00 0.71 0.00 0.00 52.55 55.87 1hd3 s ASP 29 Cb 0.00 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.31 1hd3 s ASP 29 CO 0.00 -0.87 0.12 -0.63 0.21 0.00 0.00 175.17 174.00 1hd3 s ILE 30 N -1.25 4.06 0.17 0.77 -1.09 -1.26 -0.52 121.20 122.07 1hd3 s ILE 30 Ca 0.57 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 58.18 1hd3 s ILE 30 Cb -0.39 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1hd3 s ILE 30 CO 0.50 -0.09 0.02 -0.76 -1.23 0.00 0.00 174.94 173.38 1hd3 s LEU 31 N 1.48 3.40 -0.31 2.97 1.43 0.73 -4.81 118.68 123.56 1hd3 s LEU 31 Ca 0.01 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 1hd3 s LEU 31 Cb -0.18 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1hd3 s LEU 31 CO 0.04 0.09 0.58 -0.89 0.23 0.00 0.00 176.35 176.40 1hd3 s THR 32 N -1.70 4.97 -0.34 5.49 2.01 -0.99 -0.19 115.64 124.90 1hd3 s THR 32 Ca 0.28 0.71 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 1hd3 s THR 32 Cb -0.10 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 68.44 1hd3 s THR 32 CO 0.19 -0.14 1.54 -0.22 -0.69 0.00 0.00 174.62 175.30 1hd3 s LEU 33 N 2.51 3.65 -0.05 4.42 2.96 0.70 -0.80 118.68 132.08 1hd3 s LEU 33 Ca 0.23 1.14 -0.00 0.00 -0.22 0.00 0.00 54.13 55.27 1hd3 s LEU 33 Cb -0.15 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.74 1hd3 s LEU 33 CO 0.12 -1.43 0.65 -0.07 -1.32 0.00 0.00 176.35 174.29 1hd3 h LEU 34 N 12.34 0.30 -7.00 -0.68 3.38 -0.64 -3.37 115.31 119.64 1hd3 h LEU 34 Ca -0.30 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.19 1hd3 h LEU 34 Cb 1.13 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.58 1hd3 h LEU 34 CO 1.05 1.47 -0.11 0.21 0.09 0.00 0.00 178.44 181.15 1hd3 s ASN 35 N -6.77 -1.10 -0.19 -0.43 2.47 -0.92 -3.95 114.94 104.04 1hd3 s ASN 35 Ca -0.12 1.56 0.13 0.00 0.42 0.00 0.00 52.86 54.85 1hd3 s ASN 35 Cb 0.07 2.13 0.40 0.00 -1.45 0.00 0.00 41.25 42.39 1hd3 s ASN 35 CO 0.82 -0.22 1.23 -1.54 -3.72 0.00 0.00 177.10 173.66 1hd3 n SER 36 N 5.25 2.03 0.08 -4.21 3.41 -1.26 -0.94 113.62 117.98 1hd3 n SER 36 Ca -0.13 -3.64 -0.01 0.00 -0.26 0.00 0.00 58.87 54.82 1hd3 n SER 36 Cb 0.51 -0.51 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 1hd3 n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1hd3 h THR 37 N 0.75 1.28 -3.54 6.66 1.35 -1.96 -3.43 112.91 114.02 1hd3 h THR 37 Ca 0.02 -1.33 -0.52 0.00 -0.55 0.00 0.00 66.41 64.03 1hd3 h THR 37 Cb 1.08 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 1hd3 h THR 37 CO 0.04 0.40 0.25 0.21 -0.25 0.00 0.00 175.52 176.17 1hd3 s ASN 38 N -6.86 7.41 0.40 5.36 3.84 -1.26 -4.97 114.94 118.86 1hd3 s ASN 38 Ca -0.05 1.67 0.14 0.00 0.21 0.00 0.00 52.86 54.83 1hd3 s ASN 38 Cb 0.14 -2.53 0.85 0.00 -0.55 0.00 0.00 41.25 39.16 1hd3 s ASN 38 CO 0.77 0.08 1.89 0.50 -2.79 0.00 0.00 177.10 177.54 1hd3 h LYS 39 N 5.00 0.00 0.00 0.43 3.64 -2.01 -3.34 116.57 120.29 1hd3 h LYS 39 Ca -0.45 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.69 1hd3 h LYS 39 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1hd3 h LYS 39 CO 0.69 0.30 -1.99 -0.25 -2.27 0.00 0.00 179.45 175.93 1hd3 n ASP 40 N -4.13 1.33 -3.94 4.20 8.00 -1.26 -4.78 116.55 115.98 1hd3 n ASP 40 Ca -0.02 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.23 1hd3 n ASP 40 Cb 0.35 0.95 -0.17 0.00 -0.02 0.00 0.00 41.12 42.23 1hd3 n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1hd3 s TRP 41 N -2.43 1.34 -0.10 1.24 0.52 -1.25 -0.79 118.94 117.46 1hd3 s TRP 41 Ca -0.07 -0.57 -0.02 0.00 0.02 0.00 0.00 56.10 55.46 1hd3 s TRP 41 Cb 0.05 -1.08 -0.03 0.00 -1.15 0.00 0.00 33.47 31.26 1hd3 s TRP 41 CO 0.61 -0.37 -0.02 -1.58 0.02 0.00 0.00 176.95 175.61 1hd3 s TRP 42 N 1.22 3.09 -0.09 -1.98 0.51 -0.66 -4.27 118.94 116.75 1hd3 s TRP 42 Ca -0.05 0.05 -0.23 0.00 -2.12 0.00 0.00 56.10 53.75 1hd3 s TRP 42 Cb -0.14 -1.82 -0.03 0.00 -0.81 0.00 0.00 33.47 30.67 1hd3 s TRP 42 CO -0.02 0.32 0.71 0.21 -0.51 0.00 0.00 176.95 177.66 1hd3 s LYS 43 N -0.55 4.40 0.18 4.98 2.20 -0.11 -1.76 119.74 129.07 1hd3 s LYS 43 Ca 0.09 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1hd3 s LYS 43 Cb -0.12 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1hd3 s LYS 43 CO 0.02 -0.01 -0.01 0.14 -0.36 0.00 0.00 175.35 175.13 1hd3 s VAL 44 N 1.08 0.77 -0.22 4.02 -7.23 0.15 0.09 120.40 119.05 1hd3 s VAL 44 Ca 0.37 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1hd3 s VAL 44 Cb -0.17 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.65 1hd3 s VAL 44 CO 0.17 -0.49 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.71 1hd3 s GLU 45 N -3.89 3.27 -0.58 4.82 2.12 0.02 -2.09 118.70 122.36 1hd3 s GLU 45 Ca 0.24 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.76 1hd3 s GLU 45 Cb 0.06 -2.98 0.15 0.00 0.26 0.00 0.00 34.13 31.62 1hd3 s GLU 45 CO 0.04 -0.23 0.49 0.08 -0.54 0.00 0.00 175.26 175.10 1hd3 s VAL 46 N 1.45 4.75 0.00 3.70 1.01 0.69 -2.33 120.40 129.66 1hd3 s VAL 46 Ca 0.05 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.05 1hd3 s VAL 46 Cb -0.14 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1hd3 s VAL 46 CO -0.04 -0.87 0.00 0.59 0.00 0.00 0.00 175.10 174.78 1hd3 n ASN 47 N 4.65 0.00 -1.06 3.32 3.02 -1.26 -0.57 115.26 123.35 1hd3 n ASN 47 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.51 1hd3 n ASN 47 Cb 0.42 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.79 1hd3 n ASN 47 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1hd3 n ASP 48 N 9.06 2.73 -4.32 6.41 2.03 -1.26 -4.97 116.55 126.23 1hd3 n ASP 48 Ca 0.00 -3.60 -0.24 0.00 0.52 0.00 0.00 54.79 51.47 1hd3 n ASP 48 Cb 0.00 -0.61 -0.12 0.00 -0.72 0.00 0.00 41.12 39.67 1hd3 n ASP 48 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1hd3 s ARG 49 N -3.15 1.22 0.02 -0.67 3.52 0.26 -5.16 118.95 114.98 1hd3 s ARG 49 Ca 0.44 -1.28 0.01 0.00 -0.13 0.00 0.00 55.73 54.77 1hd3 s ARG 49 Cb 0.39 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 32.32 1hd3 s ARG 49 CO 0.02 0.32 -0.04 -0.65 -0.81 0.00 0.00 175.30 174.14 1hd3 s GLN 50 N -2.24 0.34 0.00 5.12 -0.21 -1.26 -0.22 119.66 121.19 1hd3 s GLN 50 Ca 0.11 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.08 1hd3 s GLN 50 Cb -0.09 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.74 1hd3 s GLN 50 CO 0.05 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 1hd3 n GLY 51 N 2.26 -1.31 3.88 3.09 0.00 -0.89 -4.69 105.19 107.53 1hd3 n GLY 51 Ca -0.18 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 1hd3 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hd3 s TYR 52 N -3.00 3.42 0.03 1.61 1.51 0.22 -0.68 117.35 120.46 1hd3 s TYR 52 Ca 0.00 0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 56.20 1hd3 s TYR 52 Cb 0.00 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1hd3 s TYR 52 CO 0.00 0.57 0.09 0.14 -1.11 0.00 0.00 175.55 175.23 1hd3 s VAL 53 N -1.49 0.13 0.04 0.71 -7.23 -0.72 -1.73 120.40 110.10 1hd3 s VAL 53 Ca 0.33 -1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 1hd3 s VAL 53 Cb -0.13 -0.79 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 1hd3 s VAL 53 CO 0.26 -0.57 1.87 -2.84 -0.31 0.00 0.00 175.10 173.50 1hd3 s PRO 54 N -2.38 4.15 0.34 4.82 0.02 -1.26 -1.65 135.00 139.03 1hd3 s PRO 54 Ca -0.07 2.52 0.14 0.00 0.02 0.00 0.00 61.00 63.61 1hd3 s PRO 54 Cb -0.03 -3.99 1.06 0.00 0.02 0.00 0.00 34.50 31.57 1hd3 s PRO 54 CO -0.04 -0.90 1.67 0.00 -0.33 0.00 0.00 177.00 177.40 1hd3 h ALA 55 N 9.89 1.92 0.00 -1.55 0.00 -1.27 0.23 119.26 128.48 1hd3 h ALA 55 Ca -0.47 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1hd3 h ALA 55 Cb 1.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1hd3 h ALA 55 CO 0.94 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1hd3 n ALA 56 N -2.31 1.48 1.40 0.00 0.00 -1.26 -2.62 120.51 117.20 1hd3 n ALA 56 Ca 0.31 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.99 1hd3 n ALA 56 Cb 0.96 -1.35 0.45 0.00 0.00 0.00 0.00 19.45 19.51 1hd3 n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hd3 n TYR 57 N -2.17 0.03 -4.35 0.00 4.02 0.81 -4.90 117.16 110.59 1hd3 n TYR 57 Ca 0.01 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 1hd3 n TYR 57 Cb 0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 1hd3 n TYR 57 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1hd3 s VAL 58 N -1.97 1.65 -0.10 -0.72 -7.23 -1.08 -0.65 120.40 110.30 1hd3 s VAL 58 Ca 0.36 -2.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1hd3 s VAL 58 Cb 0.21 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 35.06 1hd3 s VAL 58 CO 0.32 -0.55 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.81 1hd3 s LYS 59 N -3.68 0.84 0.33 4.82 2.47 -0.25 -4.89 119.74 119.39 1hd3 s LYS 59 Ca 0.23 -0.04 -0.29 0.00 -1.56 0.00 0.00 55.97 54.32 1hd3 s LYS 59 Cb 0.01 -1.25 -0.12 0.00 -1.46 0.00 0.00 37.83 35.01 1hd3 s LYS 59 CO 0.07 -0.33 1.44 1.63 0.16 0.00 0.00 175.35 178.32 1hd3 n LYS 60 N 5.08 2.44 0.00 4.03 5.02 -1.26 -0.49 118.16 132.98 1hd3 n LYS 60 Ca -0.09 0.86 0.14 0.00 -2.02 0.00 0.00 58.31 57.20 1hd3 n LYS 60 Cb 0.50 -2.54 0.59 0.00 -0.02 0.00 0.00 35.03 33.55 1hd3 n LYS 60 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1hd3 n LEU 61 N 1.07 0.13 -0.26 -0.35 4.77 -0.32 -4.84 117.00 117.20 1hd3 n LEU 61 Ca 0.05 0.33 0.03 0.00 -0.03 0.00 0.00 56.01 56.39 1hd3 n LEU 61 Cb 0.37 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1hd3 n LEU 61 CO 0.63 0.03 0.35 0.47 -1.33 0.00 0.00 177.39 177.55