#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h64 n ARG 4 N 0.00 0.70 -0.32 3.49 3.00 -1.26 -4.67 116.66 117.61 1h64 n ARG 4 Ca 0.00 0.30 0.17 0.00 -0.01 0.00 0.00 57.85 58.31 1h64 n ARG 4 Cb 0.00 -2.46 0.36 0.00 0.00 0.00 0.00 32.46 30.36 1h64 n ARG 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1h64 h PRO 5 N -0.09 0.32 0.00 5.56 0.11 -2.05 0.36 132.00 136.20 1h64 h PRO 5 Ca -0.49 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1h64 h PRO 5 Cb 1.32 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1h64 h PRO 5 CO 0.50 0.21 -0.26 1.25 -0.21 0.00 0.00 178.00 179.49 1h64 h LEU 6 N 0.32 0.00 -0.03 2.35 5.85 -1.99 -2.46 115.31 119.35 1h64 h LEU 6 Ca 0.62 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.33 1h64 h LEU 6 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1h64 h LEU 6 CO -0.59 0.26 -0.03 0.44 -0.34 0.00 0.00 178.44 178.17 1h64 h ASP 7 N 0.00 0.09 -0.30 1.25 3.45 -0.63 -1.76 116.42 118.52 1h64 h ASP 7 Ca -0.00 -0.48 0.04 0.00 0.43 0.00 0.00 57.03 57.01 1h64 h ASP 7 Cb 0.85 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.56 1h64 h ASP 7 CO 0.03 0.55 0.07 0.58 -1.57 0.00 0.00 179.24 178.91 1h64 h VAL 8 N -0.38 0.88 -0.68 -1.35 2.07 -1.27 -1.91 116.25 113.63 1h64 h VAL 8 Ca 0.01 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1h64 h VAL 8 Cb 0.53 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1h64 h VAL 8 CO 0.01 0.03 0.22 0.40 0.02 0.00 0.00 177.57 178.25 1h64 h ILE 9 N 0.19 1.25 -0.69 4.57 2.04 -1.46 -2.68 117.51 120.73 1h64 h ILE 9 Ca 0.14 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 1h64 h ILE 9 Cb 0.13 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1h64 h ILE 9 CO -0.16 0.33 0.18 -0.74 0.00 0.00 0.00 178.15 177.76 1h64 h HIS 10 N 1.00 1.14 0.00 1.37 2.76 -0.89 -2.34 115.15 118.18 1h64 h HIS 10 Ca 0.22 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1h64 h HIS 10 Cb 0.27 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1h64 h HIS 10 CO 0.02 0.92 -0.17 0.00 -1.30 0.00 0.00 177.93 177.40 1h64 h ARG 11 N 1.04 0.00 -0.00 5.26 3.08 -1.14 -2.81 114.38 119.81 1h64 h ARG 11 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1h64 h ARG 11 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1h64 h ARG 11 CO -0.00 0.17 0.00 0.43 -1.07 0.00 0.00 179.97 179.50 1h64 n SER 12 N -3.44 0.14 -4.63 7.04 7.64 -0.88 -4.89 113.62 114.60 1h64 n SER 12 Ca -0.01 -1.10 -0.36 0.00 1.01 0.00 0.00 58.87 58.41 1h64 n SER 12 Cb 0.35 -0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 1h64 n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h64 n LEU 13 N -0.86 3.85 -2.01 -3.43 4.77 -1.06 -1.25 117.00 116.99 1h64 n LEU 13 Ca 0.22 0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 56.78 1h64 n LEU 13 Cb 0.13 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 39.77 1h64 n LEU 13 CO 0.17 -1.89 -0.15 -0.90 -1.33 0.00 0.00 177.39 173.29 1h64 n ASP 14 N -1.52 -3.88 -4.29 -1.43 5.68 0.27 -4.92 116.55 106.45 1h64 n ASP 14 Ca 0.14 0.23 -0.16 0.00 -0.50 0.00 0.00 54.79 54.50 1h64 n ASP 14 Cb 0.49 -3.41 -0.10 0.00 -1.14 0.00 0.00 41.12 36.95 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1h64 s LYS 15 N -4.26 1.22 0.13 0.11 1.02 -0.38 -4.89 119.74 112.69 1h64 s LYS 15 Ca 0.00 -1.59 -0.30 0.00 0.02 0.00 0.00 55.97 54.10 1h64 s LYS 15 Cb 0.00 -0.54 -0.07 0.00 -0.52 0.00 0.00 37.83 36.70 1h64 s LYS 15 CO 0.00 -0.06 1.26 0.16 -0.92 0.00 0.00 175.35 175.79 1h64 s ASP 16 N -3.24 6.99 0.04 2.83 1.47 -1.26 0.93 116.67 124.43 1h64 s ASP 16 Ca 0.24 2.21 -0.05 0.00 1.18 0.00 0.00 52.55 56.13 1h64 s ASP 16 Cb 0.05 -2.59 -0.01 0.00 -0.34 0.00 0.00 42.92 40.02 1h64 s ASP 16 CO 0.06 -0.50 0.09 0.68 0.68 0.00 0.00 175.17 176.19 1h64 s VAL 17 N 0.61 0.14 -0.28 2.11 -7.23 0.80 -2.86 120.40 113.69 1h64 s VAL 17 Ca 0.58 -1.17 -0.03 0.00 -1.81 0.00 0.00 61.98 59.55 1h64 s VAL 17 Cb -0.33 -1.01 0.03 0.00 0.56 0.00 0.00 36.38 35.63 1h64 s VAL 17 CO 0.33 -0.65 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.25 1h64 s LEU 18 N -2.29 3.66 -0.47 1.32 2.96 0.14 -2.25 118.68 121.75 1h64 s LEU 18 Ca -0.03 -1.01 -0.14 0.00 -0.22 0.00 0.00 54.13 52.73 1h64 s LEU 18 Cb 0.00 -1.74 0.09 0.00 0.50 0.00 0.00 46.19 45.04 1h64 s LEU 18 CO -0.06 -0.21 0.38 -0.69 -1.32 0.00 0.00 176.35 174.45 1h64 s VAL 19 N 1.34 4.95 -0.07 1.68 1.01 0.74 -0.56 120.40 129.48 1h64 s VAL 19 Ca -0.02 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.47 1h64 s VAL 19 Cb -0.18 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1h64 s VAL 19 CO -0.01 -0.62 0.75 -0.63 0.00 0.00 0.00 175.10 174.59 1h64 s ILE 20 N 1.57 5.00 0.27 2.22 1.01 0.16 -0.82 121.20 130.61 1h64 s ILE 20 Ca 0.04 1.54 0.05 0.00 0.00 0.00 0.00 60.65 62.28 1h64 s ILE 20 Cb -0.25 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1h64 s ILE 20 CO 0.05 0.21 0.39 -0.76 0.00 0.00 0.00 174.94 174.83 1h64 s LEU 21 N 0.99 4.23 0.00 2.97 1.43 -0.58 -0.74 118.68 126.98 1h64 s LEU 21 Ca 0.39 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 1h64 s LEU 21 Cb -0.18 -2.85 0.30 0.00 0.03 0.00 0.00 46.19 43.49 1h64 s LEU 21 CO 0.19 -0.16 0.99 0.29 0.23 0.00 0.00 176.35 177.89 1h64 n LYS 22 N -1.48 0.10 -0.40 1.70 5.02 -1.17 -3.23 118.16 118.70 1h64 n LYS 22 Ca -0.07 0.19 0.07 0.00 -2.02 0.00 0.00 58.31 56.49 1h64 n LYS 22 Cb 0.57 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.25 1h64 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h64 n LYS 23 N -1.24 1.36 0.00 1.97 4.01 -1.26 -4.96 118.16 118.04 1h64 n LYS 23 Ca 0.03 -2.88 0.00 0.00 -0.51 0.00 0.00 58.31 54.95 1h64 n LYS 23 Cb 0.04 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1h64 n GLY 24 N -1.17 3.25 3.82 0.72 0.00 -1.20 -5.03 105.19 105.59 1h64 n GLY 24 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1h64 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h64 s PHE 25 N -2.11 2.92 0.16 1.61 0.40 -1.26 -4.31 117.98 115.38 1h64 s PHE 25 Ca 0.00 1.09 -0.24 0.00 -0.60 0.00 0.00 56.93 57.18 1h64 s PHE 25 Cb 0.00 -3.15 0.06 0.00 0.51 0.00 0.00 43.02 40.44 1h64 s PHE 25 CO 0.00 -1.69 0.79 -1.83 0.70 0.00 0.00 175.22 173.19 1h64 s GLU 26 N -5.22 1.31 0.00 0.44 -1.05 -0.38 -1.53 118.70 112.28 1h64 s GLU 26 Ca 0.60 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.82 1h64 s GLU 26 Cb -0.14 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.05 1h64 s GLU 26 CO 0.53 -0.59 -0.11 -0.06 0.95 0.00 0.00 175.26 175.98 1h64 s PHE 27 N -3.54 0.98 -0.02 4.83 0.40 -0.00 0.32 117.98 120.94 1h64 s PHE 27 Ca 0.08 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 1h64 s PHE 27 Cb -0.03 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1h64 s PHE 27 CO -0.02 -0.01 -0.20 1.03 0.70 0.00 0.00 175.22 176.71 1h64 s ARG 28 N -0.48 1.78 0.00 0.44 0.52 -0.76 -0.19 118.95 120.26 1h64 s ARG 28 Ca 0.03 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1h64 s ARG 28 Cb -0.05 -1.66 0.00 0.00 0.52 0.00 0.00 34.95 33.76 1h64 s ARG 28 CO -0.00 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1h64 n GLY 29 N 2.71 -1.28 3.65 -3.53 0.00 -0.96 -1.33 105.19 104.46 1h64 n GLY 29 Ca -0.16 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 1h64 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h64 s ARG 30 N -1.74 4.16 -0.08 1.61 3.52 -0.96 -0.14 118.95 125.31 1h64 s ARG 30 Ca 0.00 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.77 1h64 s ARG 30 Cb 0.00 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1h64 s ARG 30 CO 0.00 -0.26 1.30 -1.17 -0.81 0.00 0.00 175.30 174.36 1h64 s LEU 31 N 1.99 4.26 0.00 -0.88 2.96 0.26 -1.97 118.68 125.30 1h64 s LEU 31 Ca 0.25 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1h64 s LEU 31 Cb -0.16 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1h64 s LEU 31 CO 0.09 -0.70 0.09 2.30 -1.32 0.00 0.00 176.35 176.81 1h64 n ILE 32 N 4.96 0.00 -3.68 6.68 -5.35 -0.61 0.98 119.36 122.34 1h64 n ILE 32 Ca 0.13 -0.38 -0.06 0.00 -0.27 0.00 0.00 62.75 62.17 1h64 n ILE 32 Cb 0.45 1.06 -0.02 0.00 -1.74 0.00 0.00 39.64 39.39 1h64 n ILE 32 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1h64 s GLY 33 N -0.58 -0.30 -0.14 3.28 0.00 -1.19 -4.88 107.32 103.49 1h64 s GLY 33 Ca 0.00 0.28 -0.34 0.00 0.00 0.00 0.00 44.72 44.66 1h64 s GLY 33 CO 0.00 0.08 1.38 -2.52 0.00 0.00 0.00 173.10 172.04 1h64 s TYR 34 N -3.42 -0.02 0.33 1.90 -0.85 -1.26 -1.61 117.35 112.42 1h64 s TYR 34 Ca 0.09 -0.00 0.05 0.00 -0.52 0.00 0.00 57.07 56.69 1h64 s TYR 34 Cb -0.02 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1h64 s TYR 34 CO -0.01 -0.07 0.19 -0.40 -1.52 0.00 0.00 175.55 173.73 1h64 n ASP 35 N -0.33 0.32 0.11 -0.18 5.68 -0.91 -4.98 116.55 116.27 1h64 n ASP 35 Ca -0.05 -2.96 0.11 0.00 -0.50 0.00 0.00 54.79 51.39 1h64 n ASP 35 Cb 0.61 1.20 0.47 0.00 -1.14 0.00 0.00 41.12 42.26 1h64 n ASP 35 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1h64 n ILE 36 N -0.70 0.93 1.47 2.12 2.08 -1.26 -1.88 119.36 122.12 1h64 n ILE 36 Ca 0.01 0.33 0.13 0.00 0.56 0.00 0.00 62.75 63.77 1h64 n ILE 36 Cb 0.55 -1.25 0.51 0.00 -0.75 0.00 0.00 39.64 38.70 1h64 n ILE 36 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1h64 n HIS 37 N -2.12 0.06 -1.73 1.39 8.25 -1.26 -4.90 115.22 114.90 1h64 n HIS 37 Ca 0.02 -0.03 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1h64 n HIS 37 Cb 0.18 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1h64 n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1h64 n LEU 38 N 0.12 -0.98 -4.77 2.41 4.77 -0.79 -4.36 117.00 113.40 1h64 n LEU 38 Ca 0.18 0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.86 1h64 n LEU 38 Cb 0.32 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 1h64 n LEU 38 CO 0.15 -0.21 0.62 0.20 -1.33 0.00 0.00 177.39 176.82 1h64 s ASN 39 N -2.78 7.46 0.11 -1.43 0.01 -1.26 -3.31 114.94 113.74 1h64 s ASN 39 Ca 0.00 1.84 0.04 0.00 -0.71 0.00 0.00 52.86 54.02 1h64 s ASN 39 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1h64 s ASN 39 CO 0.00 0.07 -0.10 0.68 -1.51 0.00 0.00 177.10 176.24 1h64 s VAL 40 N -1.37 0.99 -0.14 1.60 -7.23 -0.17 -2.13 120.40 111.95 1h64 s VAL 40 Ca 0.44 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1h64 s VAL 40 Cb -0.22 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1h64 s VAL 40 CO 0.27 -0.63 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.56 1h64 s VAL 41 N -2.78 2.46 0.05 1.32 1.01 -0.63 -0.30 120.40 121.53 1h64 s VAL 41 Ca 0.09 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.32 1h64 s VAL 41 Cb -0.01 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1h64 s VAL 41 CO -0.00 0.53 -0.26 -0.76 0.00 0.00 0.00 175.10 174.61 1h64 s LEU 42 N 0.73 2.17 0.20 3.92 1.43 -0.29 -1.57 118.68 125.28 1h64 s LEU 42 Ca -0.08 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 52.54 1h64 s LEU 42 Cb -0.16 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1h64 s LEU 42 CO 0.01 0.25 -0.17 0.00 0.23 0.00 0.00 176.35 176.67 1h64 s ALA 43 N -0.81 2.75 -1.32 4.21 0.00 -0.83 -0.34 121.76 125.41 1h64 s ALA 43 Ca 0.11 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 1h64 s ALA 43 Cb -0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1h64 s ALA 43 CO 0.02 0.43 0.55 -0.25 0.00 0.00 0.00 175.76 176.51 1h64 n ASP 44 N 0.05 -1.68 -4.97 0.00 8.00 0.31 -2.27 116.55 116.00 1h64 n ASP 44 Ca -0.11 -0.99 -0.21 0.00 0.71 0.00 0.00 54.79 54.19 1h64 n ASP 44 Cb 0.56 -3.24 -0.02 0.00 -0.02 0.00 0.00 41.12 38.40 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h64 s ALA 45 N -3.80 3.91 -0.07 2.24 0.00 0.80 -4.47 121.76 120.38 1h64 s ALA 45 Ca 0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1h64 s ALA 45 Cb -0.05 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.34 1h64 s ALA 45 CO 0.87 0.19 0.14 -1.83 0.00 0.00 0.00 175.76 175.14 1h64 s GLU 46 N -4.03 0.09 0.05 0.00 -1.05 -0.44 0.56 118.70 113.87 1h64 s GLU 46 Ca 0.35 0.38 -0.28 0.00 -0.15 0.00 0.00 54.97 55.27 1h64 s GLU 46 Cb -0.09 -0.19 -0.05 0.00 -0.44 0.00 0.00 34.13 33.36 1h64 s GLU 46 CO 0.30 -0.17 0.88 1.41 0.95 0.00 0.00 175.26 178.63 1h64 s MET 47 N 1.23 4.58 -0.04 -4.83 -2.45 0.18 -1.82 119.30 116.15 1h64 s MET 47 Ca -0.09 1.27 0.07 0.00 -1.25 0.00 0.00 55.69 55.69 1h64 s MET 47 Cb -0.12 -3.40 -0.02 0.00 1.25 0.00 0.00 34.83 32.55 1h64 s MET 47 CO -0.06 0.16 -0.25 0.42 1.05 0.00 0.00 175.02 176.34 1h64 s ILE 48 N 0.31 2.11 -0.08 10.11 1.01 0.15 -0.47 121.20 134.34 1h64 s ILE 48 Ca 0.45 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1h64 s ILE 48 Cb -0.21 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.54 1h64 s ILE 48 CO 0.26 0.58 0.02 -1.58 0.00 0.00 0.00 174.94 174.21 1h64 s GLN 49 N -0.40 0.48 0.00 2.79 2.00 -0.19 -1.24 119.66 123.09 1h64 s GLN 49 Ca 0.04 0.11 0.00 0.00 -2.00 0.00 0.00 55.36 53.51 1h64 s GLN 49 Cb -0.12 -0.99 0.00 0.00 0.80 0.00 0.00 33.01 32.70 1h64 s GLN 49 CO 0.01 -0.34 0.00 -3.47 -0.50 0.00 0.00 175.29 170.99 1h64 n ASP 50 N 5.17 -0.62 0.00 6.67 2.03 -1.26 -2.62 116.55 125.92 1h64 n ASP 50 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1h64 n ASP 50 Cb 0.50 -1.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.06 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h64 n GLY 51 N -1.78 1.09 3.44 0.27 0.00 -1.26 -5.14 105.19 101.81 1h64 n GLY 51 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1h64 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h64 s GLU 52 N 0.00 1.60 -0.31 1.61 2.02 -1.08 -5.10 118.70 117.44 1h64 s GLU 52 Ca 0.00 -1.73 -0.29 0.00 0.02 0.00 0.00 54.97 52.97 1h64 s GLU 52 Cb 0.00 -1.63 0.01 0.00 0.10 0.00 0.00 34.13 32.61 1h64 s GLU 52 CO 0.00 0.30 1.12 0.08 0.02 0.00 0.00 175.26 176.78 1h64 s VAL 53 N -2.60 4.44 -0.14 2.63 1.01 -1.26 -1.03 120.40 123.46 1h64 s VAL 53 Ca 0.28 1.65 0.13 0.00 0.00 0.00 0.00 61.98 64.04 1h64 s VAL 53 Cb -0.04 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.74 1h64 s VAL 53 CO 0.13 -0.48 0.31 1.33 0.00 0.00 0.00 175.10 176.39 1h64 n VAL 54 N 5.92 1.51 -3.63 2.92 0.24 0.38 -4.97 118.33 120.71 1h64 n VAL 54 Ca 0.12 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.34 61.50 1h64 n VAL 54 Cb 0.47 -0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 1h64 n VAL 54 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1h64 s LYS 55 N -2.54 0.99 0.03 7.34 1.02 -1.20 -4.99 119.74 120.39 1h64 s LYS 55 Ca -0.11 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.58 1h64 s LYS 55 Cb 0.07 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.80 1h64 s LYS 55 CO 0.81 -0.35 -0.22 1.03 -0.92 0.00 0.00 175.35 175.69 1h64 s ARG 56 N -2.70 1.51 -0.00 1.68 0.52 -1.26 0.49 118.95 119.19 1h64 s ARG 56 Ca -0.04 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.26 1h64 s ARG 56 Cb -0.00 -1.61 -0.01 0.00 0.52 0.00 0.00 34.95 33.85 1h64 s ARG 56 CO -0.04 0.42 -0.09 0.71 0.02 0.00 0.00 175.30 176.32 1h64 s TYR 57 N -0.75 0.80 0.13 -0.53 1.51 0.19 -4.96 117.35 113.74 1h64 s TYR 57 Ca 0.08 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 1h64 s TYR 57 Cb -0.09 -0.51 -0.08 0.00 -0.11 0.00 0.00 41.96 41.18 1h64 s TYR 57 CO 0.01 -0.01 1.43 0.78 -1.11 0.00 0.00 175.55 176.65 1h64 h GLY 58 N 5.86 0.98 -5.41 0.71 0.00 -1.92 0.23 103.07 103.52 1h64 h GLY 58 Ca -0.31 -1.10 -0.10 0.00 0.00 0.00 0.00 47.33 45.83 1h64 h GLY 58 CO 0.49 0.99 -0.21 1.25 0.00 0.00 0.00 176.54 179.06 1h64 s LYS 59 N -4.22 0.49 -0.08 4.80 2.20 -1.26 -0.53 119.74 121.13 1h64 s LYS 59 Ca -0.11 0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 56.25 1h64 s LYS 59 Cb 0.10 0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1h64 s LYS 59 CO 0.89 -0.13 0.19 -1.50 -0.36 0.00 0.00 175.35 174.45 1h64 s ILE 60 N 1.04 -0.03 -0.26 5.43 2.07 0.53 -4.99 121.20 124.99 1h64 s ILE 60 Ca -0.06 0.11 -0.14 0.00 -1.41 0.00 0.00 60.65 59.14 1h64 s ILE 60 Cb -0.06 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 1h64 s ILE 60 CO -0.09 0.04 0.34 -0.69 -1.91 0.00 0.00 174.94 172.64 1h64 s VAL 61 N 0.85 5.20 -0.17 4.00 1.01 -1.26 -1.13 120.40 128.89 1h64 s VAL 61 Ca -0.06 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1h64 s VAL 61 Cb -0.08 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1h64 s VAL 61 CO -0.05 0.18 -0.03 -0.63 0.00 0.00 0.00 175.10 174.58 1h64 s ILE 62 N 1.93 3.84 0.03 2.22 1.01 0.60 -4.98 121.20 125.84 1h64 s ILE 62 Ca 0.14 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 1h64 s ILE 62 Cb -0.16 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1h64 s ILE 62 CO 0.10 0.47 1.08 -0.13 0.00 0.00 0.00 174.94 176.45 1h64 s ARG 63 N 0.62 4.51 0.58 2.79 0.52 -1.26 -1.00 118.95 125.71 1h64 s ARG 63 Ca -0.02 1.57 0.29 0.00 -0.52 0.00 0.00 55.73 57.05 1h64 s ARG 63 Cb -0.14 -3.41 1.77 0.00 0.52 0.00 0.00 34.95 33.69 1h64 s ARG 63 CO 0.02 -0.14 2.24 0.78 0.02 0.00 0.00 175.30 178.22 1h64 h GLY 64 N 6.79 0.00 2.00 -3.53 0.00 -1.75 -2.98 103.07 103.60 1h64 h GLY 64 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1h64 h GLY 64 CO 0.78 0.00 -0.04 -1.80 0.00 0.00 0.00 176.54 175.48 1h64 h ASP 65 N 0.00 0.00 -0.13 0.19 3.58 -1.87 -1.76 116.42 116.43 1h64 h ASP 65 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1h64 h ASP 65 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1h64 h ASP 65 CO 0.00 0.04 0.00 0.59 -2.88 0.00 0.00 179.24 176.99 1h64 n ASN 66 N -3.63 2.73 -4.74 2.28 3.02 -1.13 -4.95 115.26 108.84 1h64 n ASN 66 Ca -0.02 -1.88 -0.40 0.00 -0.03 0.00 0.00 54.58 52.25 1h64 n ASN 66 Cb 0.14 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1h64 n ASN 66 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h64 s VAL 67 N -1.86 4.92 -0.20 2.41 1.01 -0.67 -3.02 120.40 122.99 1h64 s VAL 67 Ca 0.33 1.45 -0.19 0.00 0.00 0.00 0.00 61.98 63.57 1h64 s VAL 67 Cb 0.21 -4.04 -0.20 0.00 0.00 0.00 0.00 36.38 32.35 1h64 s VAL 67 CO 0.31 0.33 0.20 -0.11 0.00 0.00 0.00 175.10 175.82 1h64 n LEU 68 N 3.23 2.00 -3.50 3.92 7.94 0.08 -4.89 117.00 125.77 1h64 n LEU 68 Ca -0.03 0.38 -0.14 0.00 -1.11 0.00 0.00 56.01 55.11 1h64 n LEU 68 Cb 0.51 -0.98 -0.04 0.00 0.53 0.00 0.00 43.42 43.44 1h64 n LEU 68 CO 0.46 0.39 0.37 0.00 -1.11 0.00 0.00 177.39 177.50 1h64 s ALA 69 N -2.40 -1.56 -0.05 1.96 0.00 -1.14 -5.03 121.76 113.54 1h64 s ALA 69 Ca -0.29 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1h64 s ALA 69 Cb 0.07 0.47 -0.00 0.00 0.00 0.00 0.00 23.12 23.66 1h64 s ALA 69 CO 0.61 -0.57 -0.17 0.42 0.00 0.00 0.00 175.76 176.05 1h64 s ILE 70 N -2.62 1.42 -0.04 0.00 1.01 -1.26 -0.67 121.20 119.04 1h64 s ILE 70 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1h64 s ILE 70 Cb -0.01 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.26 1h64 s ILE 70 CO -0.03 0.41 -0.01 -0.55 0.00 0.00 0.00 174.94 174.76 1h64 s SER 71 N 0.14 0.81 -0.52 3.58 0.15 0.27 -4.97 113.70 113.16 1h64 s SER 71 Ca -0.06 -0.07 -0.28 0.00 0.70 0.00 0.00 55.95 56.24 1h64 s SER 71 Cb -0.12 -0.33 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1h64 s SER 71 CO 0.03 -0.11 1.29 -2.16 1.20 0.00 0.00 173.24 173.49 1h64 s PRO 72 N 1.18 3.51 0.00 5.44 0.04 -1.26 0.25 135.00 144.16 1h64 s PRO 72 Ca -0.07 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1h64 s PRO 72 Cb -0.14 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1h64 s PRO 72 CO -0.02 -1.67 0.44 0.25 0.04 0.00 0.00 177.00 176.05