#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hd3 s LEU 3 N 0.00 4.37 0.06 3.14 0.20 -1.26 -0.99 118.68 124.20 2hd3 s LEU 3 Ca 0.00 0.76 -0.13 0.00 0.69 0.00 0.00 54.13 55.45 2hd3 s LEU 3 Cb 0.00 -2.48 0.02 0.00 -0.43 0.00 0.00 46.19 43.30 2hd3 s LEU 3 CO 0.00 0.23 0.28 0.00 -0.29 0.00 0.00 176.35 176.57 2hd3 s ALA 4 N -0.41 -0.59 -0.11 5.97 0.00 -0.51 -2.75 121.76 123.37 2hd3 s ALA 4 Ca 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2hd3 s ALA 4 Cb -0.15 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2hd3 s ALA 4 CO 0.09 -0.46 -0.14 0.54 0.00 0.00 0.00 175.76 175.79 2hd3 s VAL 5 N -2.99 3.00 -0.28 0.00 0.11 0.60 0.48 120.40 121.31 2hd3 s VAL 5 Ca -0.02 -0.70 -0.29 0.00 -2.93 0.00 0.00 61.98 58.05 2hd3 s VAL 5 Cb 0.01 -2.24 -0.02 0.00 -1.53 0.00 0.00 36.38 32.61 2hd3 s VAL 5 CO -0.06 0.54 1.56 -0.69 -3.33 0.00 0.00 175.10 173.12 2hd3 s VAL 6 N 0.12 3.77 -0.46 2.04 1.01 -0.02 -1.36 120.40 125.51 2hd3 s VAL 6 Ca -0.07 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.79 2hd3 s VAL 6 Cb -0.15 -3.84 0.48 0.00 0.00 0.00 0.00 36.38 32.87 2hd3 s VAL 6 CO 0.05 -0.41 1.63 0.35 0.00 0.00 0.00 175.10 176.72 2hd3 n THR 7 N 6.62 3.03 0.00 3.92 -2.24 -1.26 0.16 114.28 124.51 2hd3 n THR 7 Ca 0.18 -3.32 0.00 0.00 -2.27 0.00 0.00 64.05 58.65 2hd3 n THR 7 Cb 0.46 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2hd3 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hd3 n GLY 8 N -0.89 0.58 3.14 3.38 0.00 -1.26 -4.97 105.19 105.18 2hd3 n GLY 8 Ca 0.51 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 2hd3 n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hd3 s GLN 9 N -0.67 0.76 0.05 1.61 -2.07 -1.26 -4.61 119.66 113.47 2hd3 s GLN 9 Ca 0.00 -1.21 0.08 0.00 -1.82 0.00 0.00 55.36 52.41 2hd3 s GLN 9 Cb 0.00 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2hd3 s GLN 9 CO 0.00 -0.20 -0.22 0.42 -1.32 0.00 0.00 175.29 173.97 2hd3 s ILE 10 N -3.94 2.46 -0.23 3.63 1.01 0.55 -4.96 121.20 119.72 2hd3 s ILE 10 Ca 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.46 2hd3 s ILE 10 Cb 0.07 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.57 2hd3 s ILE 10 CO -0.07 0.34 -0.12 -0.69 0.00 0.00 0.00 174.94 174.41 2hd3 s VAL 11 N -0.87 2.45 -0.49 2.92 1.01 -1.26 -4.10 120.40 120.06 2hd3 s VAL 11 Ca 0.13 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2hd3 s VAL 11 Cb -0.10 -2.23 0.14 0.00 0.00 0.00 0.00 36.38 34.19 2hd3 s VAL 11 CO 0.04 0.26 0.27 0.00 0.00 0.00 0.00 175.10 175.66 2hd3 h THR 13 N 5.24 0.99 -3.55 0.00 1.03 -2.04 -3.34 112.91 111.23 2hd3 h THR 13 Ca -0.01 -0.29 -0.71 0.00 -0.01 0.00 0.00 66.41 65.39 2hd3 h THR 13 Cb 0.90 0.08 -0.27 0.00 -1.07 0.00 0.00 68.15 67.79 2hd3 h THR 13 CO 0.56 0.15 -0.52 -0.69 -0.01 0.00 0.00 175.52 175.02 2hd3 s VAL 14 N -5.76 4.23 0.33 0.00 1.01 -1.26 -5.06 120.40 113.90 2hd3 s VAL 14 Ca -0.10 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.78 2hd3 s VAL 14 Cb 0.20 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2hd3 s VAL 14 CO 0.79 -0.34 0.24 0.00 0.00 0.00 0.00 175.10 175.79 2hd3 s ARG 15 N 1.46 1.74 0.62 2.72 3.03 -1.26 -5.14 118.95 122.13 2hd3 s ARG 15 Ca 0.01 -2.01 -0.18 0.00 2.03 0.00 0.00 55.73 55.58 2hd3 s ARG 15 Cb -0.21 0.16 -0.02 0.00 -1.03 0.00 0.00 34.95 33.85 2hd3 s ARG 15 CO 0.04 -0.60 1.22 -1.58 -1.13 0.00 0.00 175.30 173.25 2hd3 s HIS 16 N -3.47 2.31 0.04 5.89 5.65 -1.26 -4.94 115.29 119.51 2hd3 s HIS 16 Ca 0.38 1.52 -0.25 0.00 0.25 0.00 0.00 55.06 56.96 2hd3 s HIS 16 Cb 0.03 -3.51 -0.18 0.00 -1.18 0.00 0.00 32.58 27.75 2hd3 s HIS 16 CO 0.24 -2.35 1.50 0.45 -0.65 0.00 0.00 174.74 173.93 2hd3 h HIS 17 N 0.69 -0.03 0.00 3.88 -0.00 -1.95 -2.95 115.15 114.79 2hd3 h HIS 17 Ca -0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.87 2hd3 h HIS 17 Cb 1.30 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 2hd3 h HIS 17 CO 0.46 0.20 0.00 0.41 -0.00 0.00 0.00 177.93 179.00 2hd3 n GLY 18 N -0.47 -0.47 0.00 2.45 0.00 -1.26 -0.72 105.19 104.72 2hd3 n GLY 18 Ca -0.08 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 2hd3 n GLY 18 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hd3 n LEU 19 N -1.47 0.00 0.00 0.99 7.94 -1.11 -4.50 117.00 118.85 2hd3 n LEU 19 Ca 0.00 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 2hd3 n LEU 19 Cb 0.00 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2hd3 n LEU 19 CO 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 177.39 176.26 2hd3 n ALA 20 N -1.33 0.00 -1.26 1.96 0.00 0.10 -3.56 120.51 116.42 2hd3 n ALA 20 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.61 2hd3 n ALA 20 Cb 0.25 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.89 2hd3 n ALA 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hd3 n HIS 21 N 3.91 0.44 -1.97 0.00 8.25 -1.26 -4.98 115.22 119.61 2hd3 n HIS 21 Ca 0.00 -1.22 -0.33 0.00 -0.26 0.00 0.00 57.72 55.90 2hd3 n HIS 21 Cb 0.00 -0.28 0.02 0.00 1.12 0.00 0.00 29.99 30.85 2hd3 n HIS 21 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hd3 s ASP 22 N -2.69 5.50 0.58 0.41 -0.00 -1.23 -5.01 116.67 114.21 2hd3 s ASP 22 Ca 0.38 1.95 -0.17 0.00 -0.00 0.00 0.00 52.55 54.71 2hd3 s ASP 22 Cb 0.34 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.67 2hd3 s ASP 22 CO 0.01 -1.36 1.09 -0.54 -0.00 0.00 0.00 175.17 174.36 2hd3 s LYS 23 N -3.94 3.29 -0.17 8.23 -0.14 -1.09 -4.85 119.74 121.06 2hd3 s LYS 23 Ca 0.66 1.39 -0.01 0.00 -1.36 0.00 0.00 55.97 56.65 2hd3 s LYS 23 Cb -0.19 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.94 2hd3 s LYS 23 CO 0.37 -0.86 -0.12 -0.51 -0.76 0.00 0.00 175.35 173.47 2hd3 s LEU 24 N -4.21 2.64 0.00 3.17 1.43 -1.26 -0.98 118.68 119.47 2hd3 s LEU 24 Ca 0.68 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2hd3 s LEU 24 Cb -0.19 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2hd3 s LEU 24 CO 0.32 0.07 0.00 0.18 0.23 0.00 0.00 176.35 177.15 2hd3 n LEU 25 N 4.18 0.00 -3.62 1.79 4.32 -0.95 -0.33 117.00 122.39 2hd3 n LEU 25 Ca -0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.75 2hd3 n LEU 25 Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.27 2hd3 n LEU 25 CO 0.29 0.00 1.01 0.68 -1.22 0.00 0.00 177.39 178.15 2hd3 s VAL 27 N 3.70 0.00 0.00 4.08 -7.23 0.36 -1.03 120.40 120.28 2hd3 s VAL 27 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2hd3 s VAL 27 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 2hd3 s VAL 27 CO 0.00 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.00 2hd3 n GLU 28 N 0.69 1.81 -3.59 4.82 2.13 -0.46 -1.00 120.64 125.04 2hd3 n GLU 28 Ca -0.05 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.76 2hd3 n GLU 28 Cb 0.58 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.25 2hd3 n GLU 28 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hd3 s ILE 30 N -0.55 -0.65 1.00 6.31 1.01 -1.11 -0.30 121.20 126.92 2hd3 s ILE 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 2hd3 s ILE 30 Cb 0.00 -1.00 0.14 0.00 0.01 0.00 0.00 42.46 41.61 2hd3 s ILE 30 CO 0.00 0.00 0.80 -0.90 0.00 0.00 0.00 174.94 174.84 2hd3 n ASP 31 N 5.02 -1.02 0.00 3.58 3.85 -0.44 -4.80 116.55 122.75 2hd3 n ASP 31 Ca -0.13 0.22 0.01 0.00 -0.71 0.00 0.00 54.79 54.18 2hd3 n ASP 31 Cb 0.52 -1.31 0.03 0.00 -1.35 0.00 0.00 41.12 39.02 2hd3 n ASP 31 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 2hd3 n PRO 32 N -3.47 0.02 -0.03 0.11 -0.04 -1.26 -2.51 135.00 127.82 2hd3 n PRO 32 Ca 0.08 0.25 -0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2hd3 n PRO 32 Cb 0.54 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2hd3 n PRO 32 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2hd3 h GLN 33 N 0.00 0.00 0.00 0.54 1.08 -2.05 -3.49 115.11 111.20 2hd3 h GLN 33 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2hd3 h GLN 33 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2hd3 h GLN 33 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2hd3 n GLY 34 N 1.88 0.00 3.56 3.46 0.00 -1.04 -4.95 105.19 108.09 2hd3 n GLY 34 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2hd3 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hd3 s ASN 35 N 0.00 3.76 -0.25 1.61 0.01 -1.26 -4.95 114.94 113.86 2hd3 s ASN 35 Ca 0.00 -1.23 -0.29 0.00 -0.71 0.00 0.00 52.86 50.64 2hd3 s ASN 35 Cb 0.00 -0.36 -0.03 0.00 0.41 0.00 0.00 41.25 41.28 2hd3 s ASN 35 CO 0.00 -0.24 1.71 -2.16 -1.51 0.00 0.00 177.10 174.90 2hd3 s PRO 36 N -3.63 3.63 0.32 -0.60 0.04 -1.26 -1.32 135.00 132.18 2hd3 s PRO 36 Ca 0.33 1.64 0.22 0.00 0.04 0.00 0.00 61.00 63.23 2hd3 s PRO 36 Cb 0.04 -4.11 1.17 0.00 0.04 0.00 0.00 34.50 31.64 2hd3 s PRO 36 CO 0.17 -1.50 1.68 -3.47 0.04 0.00 0.00 177.00 173.92 2hd3 n ASP 37 N 9.14 0.59 0.00 6.66 2.03 -1.26 -4.81 116.55 128.89 2hd3 n ASP 37 Ca 0.21 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.27 2hd3 n ASP 37 Cb 0.46 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hd3 n GLY 38 N -1.13 3.25 3.72 0.27 0.00 -1.26 -4.97 105.19 105.07 2hd3 n GLY 38 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2hd3 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 39 N -0.50 4.51 0.10 1.61 -0.21 -1.26 -5.04 119.66 118.87 2hd3 s GLN 39 Ca 0.00 1.73 0.06 0.00 0.02 0.00 0.00 55.36 57.17 2hd3 s GLN 39 Cb 0.00 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.66 2hd3 s GLN 39 CO 0.00 -0.10 -0.15 0.00 -2.12 0.00 0.00 175.29 172.92 2hd3 n ALA 41 N 0.94 -0.80 -2.71 0.00 0.00 -0.17 -4.99 120.51 112.78 2hd3 n ALA 41 Ca -0.19 -0.59 -0.28 0.00 0.00 0.00 0.00 53.44 52.39 2hd3 n ALA 41 Cb 0.55 0.47 -0.16 0.00 0.00 0.00 0.00 19.45 20.31 2hd3 n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hd3 s VAL 42 N -2.59 1.71 0.01 0.00 1.01 -1.26 -0.49 120.40 118.79 2hd3 s VAL 42 Ca 0.07 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2hd3 s VAL 42 Cb -0.02 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2hd3 s VAL 42 CO 0.06 0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.61 2hd3 s ALA 43 N -0.18 0.20 0.26 5.51 0.00 -0.20 -4.70 121.76 122.65 2hd3 s ALA 43 Ca -0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 2hd3 s ALA 43 Cb -0.11 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 2hd3 s ALA 43 CO 0.02 -0.02 1.25 -1.50 0.00 0.00 0.00 175.76 175.51 2hd3 s ILE 44 N -0.56 3.16 -0.24 0.00 1.10 -0.95 -2.23 121.20 121.49 2hd3 s ILE 44 Ca -0.05 1.06 0.01 0.00 -0.51 0.00 0.00 60.65 61.16 2hd3 s ILE 44 Cb -0.04 -3.67 0.06 0.00 0.15 0.00 0.00 42.46 38.95 2hd3 s ILE 44 CO -0.00 0.21 -0.07 -0.62 -2.11 0.00 0.00 174.94 172.34 2hd3 s ASP 45 N -0.20 3.99 0.00 4.50 2.15 -0.16 -2.53 116.67 124.43 2hd3 s ASP 45 Ca 0.51 -1.22 0.04 0.00 0.43 0.00 0.00 52.55 52.31 2hd3 s ASP 45 Cb -0.36 -1.29 0.10 0.00 -0.30 0.00 0.00 42.92 41.07 2hd3 s ASP 45 CO 0.43 -0.21 1.03 -0.46 -0.17 0.00 0.00 175.17 175.78 2hd3 n ASN 46 N 4.60 2.19 -0.01 -0.34 6.94 -1.26 -2.68 115.26 124.71 2hd3 n ASN 46 Ca -0.13 -1.88 0.07 0.00 -0.02 0.00 0.00 54.58 52.62 2hd3 n ASN 46 Cb 0.44 -0.07 -0.10 0.00 -2.36 0.00 0.00 39.78 37.68 2hd3 n ASN 46 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2hd3 n ILE 47 N -0.07 0.00 -0.09 1.53 -5.35 -1.26 -5.04 119.36 109.07 2hd3 n ILE 47 Ca 0.04 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2hd3 n ILE 47 Cb 0.28 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 2hd3 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hd3 n GLY 48 N 1.69 0.64 3.77 3.28 0.00 -1.26 -5.09 105.19 108.21 2hd3 n GLY 48 Ca -0.02 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2hd3 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hd3 s ALA 49 N -1.42 3.46 0.28 4.61 0.00 -1.26 -5.07 121.76 122.36 2hd3 s ALA 49 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.19 2hd3 s ALA 49 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2hd3 s ALA 49 CO 0.00 0.19 0.34 0.20 0.00 0.00 0.00 175.76 176.49 2hd3 s GLY 50 N -0.44 1.45 0.51 0.00 0.00 -1.26 -5.06 107.32 102.51 2hd3 s GLY 50 Ca 0.34 -1.40 -0.23 0.00 0.00 0.00 0.00 44.72 43.43 2hd3 s GLY 50 CO 0.21 -1.38 1.36 -1.08 0.00 0.00 0.00 173.10 172.21 2hd3 s THR 51 N -2.12 2.17 0.00 0.90 -1.32 -1.26 -2.34 115.64 111.67 2hd3 s THR 51 Ca 0.38 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2hd3 s THR 51 Cb -0.08 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 2hd3 s THR 51 CO 0.28 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 2hd3 n GLY 52 N 0.66 2.96 3.80 6.08 0.00 0.12 -4.98 105.19 113.83 2hd3 n GLY 52 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2hd3 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hd3 s GLU 53 N -0.21 3.73 -0.09 1.61 2.02 -0.99 -4.69 118.70 120.09 2hd3 s GLU 53 Ca 0.00 1.31 -0.15 0.00 0.02 0.00 0.00 54.97 56.14 2hd3 s GLU 53 Cb 0.00 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 2hd3 s GLU 53 CO 0.00 -0.49 0.39 -1.58 0.02 0.00 0.00 175.26 173.60 2hd3 s TRP 54 N -2.11 3.58 0.32 1.61 0.52 -1.26 -0.84 118.94 120.77 2hd3 s TRP 54 Ca 0.66 0.83 0.03 0.00 0.02 0.00 0.00 56.10 57.64 2hd3 s TRP 54 Cb -0.16 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 2hd3 s TRP 54 CO 0.23 0.39 0.09 0.14 0.02 0.00 0.00 176.95 177.82 2hd3 s VAL 55 N -0.11 0.80 -0.13 4.03 -7.23 0.18 -1.57 120.40 116.36 2hd3 s VAL 55 Ca 0.22 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2hd3 s VAL 55 Cb -0.15 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 2hd3 s VAL 55 CO 0.09 0.00 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.55 2hd3 s LEU 56 N -3.44 2.78 0.07 1.32 2.96 -0.64 -1.42 118.68 120.31 2hd3 s LEU 56 Ca 0.35 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 2hd3 s LEU 56 Cb 0.07 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2hd3 s LEU 56 CO 0.15 0.16 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.47 2hd3 s LEU 57 N 0.38 2.97 -0.10 -0.68 1.43 -0.16 -0.49 118.68 122.01 2hd3 s LEU 57 Ca -0.10 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2hd3 s LEU 57 Cb -0.16 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2hd3 s LEU 57 CO 0.05 0.21 -0.14 0.54 0.23 0.00 0.00 176.35 177.25 2hd3 s VAL 58 N -1.11 1.41 0.51 -1.59 0.11 0.18 -1.41 120.40 118.50 2hd3 s VAL 58 Ca 0.19 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.72 2hd3 s VAL 58 Cb -0.11 -1.30 0.03 0.00 -1.53 0.00 0.00 36.38 33.47 2hd3 s VAL 58 CO 0.11 0.42 0.45 -0.94 -3.33 0.00 0.00 175.10 171.81 2hd3 s SER 59 N 1.03 4.80 0.21 3.54 1.04 -1.26 -1.47 113.70 121.59 2hd3 s SER 59 Ca -0.06 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2hd3 s SER 59 Cb -0.15 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2hd3 s SER 59 CO -0.02 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2hd3 n GLY 60 N -1.76 -0.87 0.22 7.32 0.00 0.09 -3.91 105.19 106.27 2hd3 n GLY 60 Ca 0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 2hd3 n GLY 60 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hd3 h SER 61 N 0.95 0.35 -1.65 1.61 4.64 -1.88 -1.16 113.55 116.41 2hd3 h SER 61 Ca 0.00 0.04 0.48 0.00 -0.47 0.00 0.00 61.79 61.84 2hd3 h SER 61 Cb 0.00 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.00 2hd3 h SER 61 CO 0.00 0.24 1.18 0.28 -0.87 0.00 0.00 176.83 177.66 2hd3 h SER 62 N 0.49 0.01 -0.21 4.97 0.02 -1.94 0.52 113.55 117.41 2hd3 h SER 62 Ca 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2hd3 h SER 62 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2hd3 h SER 62 CO -0.19 -0.00 -0.07 0.00 -1.14 0.00 0.00 176.83 175.43 2hd3 h ALA 63 N 1.18 0.29 0.44 3.77 0.00 -1.32 -0.41 119.26 123.21 2hd3 h ALA 63 Ca 0.79 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2hd3 h ALA 63 Cb 3.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 20.84 2hd3 h ALA 63 CO -0.02 0.10 -0.48 0.00 0.00 0.00 0.00 179.25 178.85 2hd3 h ARG 64 N 0.14 -0.90 -0.50 0.00 3.08 0.03 -1.94 114.38 114.30 2hd3 h ARG 64 Ca 0.05 0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2hd3 h ARG 64 Cb 0.53 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2hd3 h ARG 64 CO 0.02 -0.60 0.33 1.96 -1.07 0.00 0.00 179.97 180.61 2hd3 h GLN 65 N -0.93 0.63 0.00 0.04 1.08 -1.56 0.61 115.11 114.97 2hd3 h GLN 65 Ca -0.05 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2hd3 h GLN 65 Cb 0.83 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2hd3 h GLN 65 CO -0.08 0.42 0.00 0.00 -0.95 0.00 0.00 178.83 178.21 2hd3 n ALA 66 N -2.47 1.89 -0.06 3.87 0.00 -0.16 -3.30 120.51 120.29 2hd3 n ALA 66 Ca 0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2hd3 n ALA 66 Cb 0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 2hd3 n ALA 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hd3 n HIS 67 N -1.14 0.00 0.01 0.00 -0.00 0.15 -5.02 115.22 109.22 2hd3 n HIS 67 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2hd3 n HIS 67 Cb 0.08 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 2hd3 n HIS 67 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hd3 n LYS 68 N -4.06 0.00 -0.95 1.57 5.02 -0.87 -5.10 118.16 113.76 2hd3 n LYS 68 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2hd3 n LYS 68 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2hd3 n LYS 68 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2hd3 n SER 69 N -2.56 0.00 0.26 4.39 3.41 -1.23 -4.81 113.62 113.07 2hd3 n SER 69 Ca 0.00 -0.65 0.16 0.00 -0.26 0.00 0.00 58.87 58.12 2hd3 n SER 69 Cb 0.00 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 64.79 2hd3 n SER 69 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2hd3 h GLU 70 N 0.00 0.00 0.00 4.33 4.39 -1.96 0.04 114.58 121.38 2hd3 h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hd3 h GLU 70 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2hd3 h GLU 70 CO 0.00 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.10 2hd3 n THR 71 N -2.64 0.00 -3.78 1.13 -2.24 -1.26 -4.61 114.28 100.88 2hd3 n THR 71 Ca -0.02 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2hd3 n THR 71 Cb 0.14 -0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.85 2hd3 n THR 71 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hd3 s SER 72 N -1.64 5.04 -0.82 3.42 0.01 0.00 -4.11 113.70 115.61 2hd3 s SER 72 Ca 0.17 -0.61 -0.06 0.00 1.31 0.00 0.00 55.95 56.76 2hd3 s SER 72 Cb 0.08 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.42 2hd3 s SER 72 CO 0.13 -0.15 2.87 -0.81 0.41 0.00 0.00 173.24 175.68 2hd3 n PRO 73 N 4.87 3.20 -5.03 12.44 -0.04 -1.26 -4.75 135.00 144.42 2hd3 n PRO 73 Ca -0.15 -2.38 -0.29 0.00 -0.04 0.00 0.00 63.50 60.65 2hd3 n PRO 73 Cb 0.49 -2.37 -0.15 0.00 -0.04 0.00 0.00 33.50 31.42 2hd3 n PRO 73 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hd3 s VAL 74 N -0.51 1.86 -0.42 0.52 -7.23 -1.26 -5.02 120.40 108.35 2hd3 s VAL 74 Ca 0.61 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2hd3 s VAL 74 Cb 0.28 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.66 2hd3 s VAL 74 CO -0.11 0.44 0.46 -0.90 -0.31 0.00 0.00 175.10 174.68 2hd3 n ASP 75 N 2.27 0.91 -3.85 4.85 5.75 -1.26 -3.43 116.55 121.78 2hd3 n ASP 75 Ca -0.16 -0.96 -0.15 0.00 -0.01 0.00 0.00 54.79 53.51 2hd3 n ASP 75 Cb 0.52 0.39 -0.15 0.00 -1.03 0.00 0.00 41.12 40.85 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2hd3 s LEU 76 N -1.09 1.52 -0.22 -2.12 0.20 -1.26 -0.73 118.68 114.98 2hd3 s LEU 76 Ca 0.04 -0.03 -0.14 0.00 0.69 0.00 0.00 54.13 54.70 2hd3 s LEU 76 Cb 0.03 -0.16 0.07 0.00 -0.43 0.00 0.00 46.19 45.70 2hd3 s LEU 76 CO 0.10 -0.05 0.55 0.00 -0.29 0.00 0.00 176.35 176.66 2hd3 s VAL 78 N 1.32 4.52 -0.19 0.00 0.11 -1.05 -0.65 120.40 124.46 2hd3 s VAL 78 Ca -0.08 1.82 0.16 0.00 -2.93 0.00 0.00 61.98 60.94 2hd3 s VAL 78 Cb -0.06 -4.17 0.47 0.00 -1.53 0.00 0.00 36.38 31.09 2hd3 s VAL 78 CO -0.13 -0.02 1.37 2.30 -3.33 0.00 0.00 175.10 175.29 2hd3 n ILE 79 N 4.66 2.25 0.00 7.04 -6.64 0.36 -4.68 119.36 122.34 2hd3 n ILE 79 Ca 0.10 -2.16 0.00 0.00 -1.77 0.00 0.00 62.75 58.92 2hd3 n ILE 79 Cb 0.47 -0.26 0.00 0.00 -1.44 0.00 0.00 39.64 38.41 2hd3 n ILE 79 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2hd3 n GLY 80 N -0.85 2.42 3.88 3.28 0.00 -1.24 -4.96 105.19 107.73 2hd3 n GLY 80 Ca 0.22 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2hd3 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hd3 s ILE 81 N -2.00 5.37 -0.23 -0.61 -1.09 -1.26 -1.62 121.20 119.76 2hd3 s ILE 81 Ca 0.00 0.15 -0.14 0.00 -2.23 0.00 0.00 60.65 58.43 2hd3 s ILE 81 Cb 0.00 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 2hd3 s ILE 81 CO 0.00 0.44 0.31 -0.69 -1.23 0.00 0.00 174.94 173.77 2hd3 s VAL 82 N -1.22 5.25 -0.11 2.92 1.01 -0.61 -4.91 120.40 122.73 2hd3 s VAL 82 Ca 0.24 0.51 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 2hd3 s VAL 82 Cb -0.13 -3.65 -0.26 0.00 0.00 0.00 0.00 36.38 32.34 2hd3 s VAL 82 CO 0.13 0.27 0.85 0.44 0.00 0.00 0.00 175.10 176.79 2hd3 h ASP 83 N 7.56 0.11 -4.99 3.32 3.32 -1.94 -3.40 116.42 120.41 2hd3 h ASP 83 Ca -0.36 -0.93 0.03 0.00 0.02 0.00 0.00 57.03 55.78 2hd3 h ASP 83 Cb 1.17 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.58 2hd3 h ASP 83 CO 0.68 1.03 0.25 -1.83 -1.72 0.00 0.00 179.24 177.65 2hd3 s GLU 84 N -2.49 1.41 -0.03 3.56 -1.05 -1.26 0.16 118.70 119.00 2hd3 s GLU 84 Ca -0.17 -0.63 0.01 0.00 -0.15 0.00 0.00 54.97 54.02 2hd3 s GLU 84 Cb -0.02 0.57 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 2hd3 s GLU 84 CO 0.72 -0.63 -0.04 0.08 0.95 0.00 0.00 175.26 176.34 2hd3 s VAL 85 N -3.74 0.42 -0.20 1.83 1.01 0.75 -4.96 120.40 115.51 2hd3 s VAL 85 Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2hd3 s VAL 85 Cb -0.03 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.97 2hd3 s VAL 85 CO -0.06 0.17 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 2hd3 s VAL 86 N 0.53 1.64 0.00 2.92 1.01 -1.26 -0.69 120.40 124.55 2hd3 s VAL 86 Ca -0.06 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2hd3 s VAL 86 Cb -0.10 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2hd3 s VAL 86 CO -0.00 0.15 0.00 -0.24 0.00 0.00 0.00 175.10 175.01 2hd3 n SER 87 N 4.68 0.00 -4.47 3.32 2.88 -0.32 -4.75 113.62 114.96 2hd3 n SER 87 Ca -0.14 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.96 2hd3 n SER 87 Cb 0.46 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2hd3 n SER 87 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2hd3 s GLY 88 N 0.00 2.27 -1.56 0.46 0.00 -1.26 -4.38 107.32 102.85 2hd3 s GLY 88 Ca 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 44.72 41.48 2hd3 s GLY 88 CO 0.00 2.10 0.11 0.61 0.00 0.00 0.00 173.10 175.91 2hd3 n GLY 89 N 4.44 -0.50 2.87 0.20 0.00 -1.26 -4.96 105.19 105.97 2hd3 n GLY 89 Ca 0.35 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 2hd3 n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hd3 s GLN 90 N -5.18 0.06 -0.51 1.61 0.74 -1.26 -5.10 119.66 110.01 2hd3 s GLN 90 Ca 0.06 0.49 -0.28 0.00 0.05 0.00 0.00 55.36 55.68 2hd3 s GLN 90 Cb -0.03 -0.23 0.00 0.00 1.10 0.00 0.00 33.01 33.85 2hd3 s GLN 90 CO 0.07 -0.25 1.54 0.08 -0.55 0.00 0.00 175.29 176.18 2hd3 s VAL 91 N 1.84 3.70 -0.56 1.34 1.01 -1.26 -1.17 120.40 125.30 2hd3 s VAL 91 Ca -0.02 0.61 0.24 0.00 0.00 0.00 0.00 61.98 62.81 2hd3 s VAL 91 Cb -0.12 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.05 2hd3 s VAL 91 CO -0.06 -0.96 1.21 0.16 0.00 0.00 0.00 175.10 175.45 2hd3 h ILE 92 N 6.53 0.00 -2.51 2.22 3.07 -1.27 -3.48 117.51 122.07 2hd3 h ILE 92 Ca -0.28 -0.58 -0.10 0.00 1.55 0.00 0.00 64.86 65.46 2hd3 h ILE 92 Cb 1.12 1.08 -0.23 0.00 -0.27 0.00 0.00 36.82 38.52 2hd3 h ILE 92 CO 1.15 0.00 -0.12 0.12 -1.05 0.00 0.00 178.15 178.25 2hd3 s PHE 93 N -3.21 -0.55 -0.13 0.16 2.19 -1.12 -4.95 117.98 110.37 2hd3 s PHE 93 Ca 0.04 1.32 -0.07 0.00 0.33 0.00 0.00 56.93 58.55 2hd3 s PHE 93 Cb 0.13 0.19 0.05 0.00 -1.31 0.00 0.00 43.02 42.08 2hd3 s PHE 93 CO 0.75 -0.28 0.30 -1.58 1.83 0.00 0.00 175.22 176.24 2hd3 s HIS 94 N 0.17 -0.41 -0.88 10.12 2.46 -1.26 -0.18 115.29 125.31 2hd3 s HIS 94 Ca -0.01 0.94 0.00 0.00 0.47 0.00 0.00 55.06 56.47 2hd3 s HIS 94 Cb -0.03 0.12 0.00 0.00 -0.13 0.00 0.00 32.58 32.54 2hd3 s HIS 94 CO 0.01 -0.26 0.22 1.17 -2.47 0.00 0.00 174.74 173.42