#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h64 s ARG 4 N 0.00 2.92 0.27 3.44 0.52 -1.26 -4.74 118.95 120.10 1h64 s ARG 4 Ca 0.00 1.85 -0.04 0.00 -0.52 0.00 0.00 55.73 57.02 1h64 s ARG 4 Cb 0.00 -1.92 0.55 0.00 0.52 0.00 0.00 34.95 34.10 1h64 s ARG 4 CO 0.00 -1.25 1.61 -1.35 0.02 0.00 0.00 175.30 174.32 1h64 h PRO 5 N 0.84 0.06 -0.20 3.54 0.11 -2.05 0.38 132.00 134.69 1h64 h PRO 5 Ca -0.51 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1h64 h PRO 5 Cb 1.30 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1h64 h PRO 5 CO 0.55 0.04 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.18 1h64 h LEU 6 N 0.06 0.31 -0.19 2.35 -0.00 -2.00 -2.42 115.31 113.42 1h64 h LEU 6 Ca 0.48 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 58.28 1h64 h LEU 6 Cb 0.90 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 1h64 h LEU 6 CO -0.79 0.48 0.07 0.44 -0.00 0.00 0.00 178.44 178.64 1h64 h ASP 7 N 0.31 0.27 -0.80 -0.43 3.45 -0.60 -1.15 116.42 117.47 1h64 h ASP 7 Ca 0.06 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.35 1h64 h ASP 7 Cb 0.42 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 1h64 h ASP 7 CO 0.02 0.38 0.52 0.58 -1.57 0.00 0.00 179.24 179.17 1h64 h VAL 8 N 0.15 1.21 -0.36 -1.35 2.07 -1.10 -0.92 116.25 115.96 1h64 h VAL 8 Ca 0.06 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 1h64 h VAL 8 Cb 0.19 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1h64 h VAL 8 CO -0.00 0.21 -0.33 0.40 0.02 0.00 0.00 177.57 177.87 1h64 h ILE 9 N 1.09 1.28 -0.71 4.57 1.08 -1.36 -2.15 117.51 121.31 1h64 h ILE 9 Ca 0.29 -1.50 -0.05 0.00 -0.39 0.00 0.00 64.86 63.22 1h64 h ILE 9 Cb -0.10 1.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 1h64 h ILE 9 CO -0.06 0.49 0.26 -0.74 -0.69 0.00 0.00 178.15 177.42 1h64 h HIS 10 N 0.64 1.08 0.00 1.37 2.76 -0.94 -1.77 115.15 118.29 1h64 h HIS 10 Ca 0.06 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1h64 h HIS 10 Cb 0.91 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1h64 h HIS 10 CO 0.07 0.84 0.00 -2.13 -1.30 0.00 0.00 177.93 175.40 1h64 n ARG 11 N -4.28 0.17 -0.06 5.26 0.63 -0.37 -2.53 116.66 115.48 1h64 n ARG 11 Ca 0.06 0.35 0.12 0.00 -0.92 0.00 0.00 57.85 57.46 1h64 n ARG 11 Cb 0.19 -1.80 0.33 0.00 0.45 0.00 0.00 32.46 31.63 1h64 n ARG 11 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1h64 n SER 12 N -2.12 2.26 -4.70 6.15 7.64 -0.67 -4.93 113.62 117.25 1h64 n SER 12 Ca 0.03 -1.77 -0.43 0.00 1.01 0.00 0.00 58.87 57.71 1h64 n SER 12 Cb 0.26 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.73 3.58 0.00 -3.43 4.77 -1.05 -0.99 117.00 120.61 1h64 n LEU 13 Ca 0.17 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.31 1h64 n LEU 13 Cb 0.45 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1h64 n LEU 13 CO 0.15 -0.31 0.00 -0.67 -1.33 0.00 0.00 177.39 175.23 1h64 n ASP 14 N 1.74 -4.02 -4.87 -1.43 4.64 0.26 -4.99 116.55 107.88 1h64 n ASP 14 Ca 0.09 0.00 -0.21 0.00 -1.38 0.00 0.00 54.79 53.29 1h64 n ASP 14 Cb 0.34 -2.13 -0.03 0.00 -1.04 0.00 0.00 41.12 38.25 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1h64 s LYS 15 N -1.08 2.91 0.08 -0.67 1.02 -0.16 -4.82 119.74 117.02 1h64 s LYS 15 Ca 0.00 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 1h64 s LYS 15 Cb 0.00 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 1h64 s LYS 15 CO 0.00 0.25 0.91 0.34 -0.92 0.00 0.00 175.35 175.93 1h64 s ASP 16 N -3.95 7.41 0.18 2.83 2.15 -1.26 -1.22 116.67 122.81 1h64 s ASP 16 Ca 0.37 1.69 0.04 0.00 0.43 0.00 0.00 52.55 55.08 1h64 s ASP 16 Cb -0.07 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 1h64 s ASP 16 CO 0.27 -0.06 -0.05 0.68 -0.17 0.00 0.00 175.17 175.83 1h64 s VAL 17 N 0.08 1.05 -0.28 1.11 -7.23 0.59 -0.71 120.40 115.02 1h64 s VAL 17 Ca 0.45 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1h64 s VAL 17 Cb -0.22 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.70 1h64 s VAL 17 CO 0.28 -0.55 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.23 1h64 s LEU 18 N -3.22 3.61 -0.48 1.32 2.96 0.38 -1.89 118.68 121.36 1h64 s LEU 18 Ca 0.22 -1.31 -0.17 0.00 -0.22 0.00 0.00 54.13 52.66 1h64 s LEU 18 Cb 0.04 -1.63 0.06 0.00 0.50 0.00 0.00 46.19 45.17 1h64 s LEU 18 CO 0.04 -0.21 0.47 -0.69 -1.32 0.00 0.00 176.35 174.63 1h64 s VAL 19 N 1.18 5.11 -0.18 1.68 1.01 0.19 -1.10 120.40 128.29 1h64 s VAL 19 Ca -0.07 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1h64 s VAL 19 Cb -0.20 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1h64 s VAL 19 CO -0.03 -0.64 0.81 -0.63 0.00 0.00 0.00 175.10 174.61 1h64 s ILE 20 N 1.99 4.89 0.45 2.22 1.01 0.57 -1.20 121.20 131.12 1h64 s ILE 20 Ca 0.08 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.35 1h64 s ILE 20 Cb -0.22 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.15 1h64 s ILE 20 CO 0.09 0.02 0.63 -0.76 0.00 0.00 0.00 174.94 174.92 1h64 s LEU 21 N 2.20 3.59 0.00 2.97 1.43 0.12 0.53 118.68 129.52 1h64 s LEU 21 Ca 0.37 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1h64 s LEU 21 Cb -0.16 -2.80 -0.15 0.00 0.03 0.00 0.00 46.19 43.11 1h64 s LEU 21 CO 0.11 -0.82 2.40 0.29 0.23 0.00 0.00 176.35 178.57 1h64 n LYS 22 N -1.99 1.24 -0.15 1.70 5.02 -0.91 -3.07 118.16 119.99 1h64 n LYS 22 Ca 0.06 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 1h64 n LYS 22 Cb 0.59 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 2.49 0.00 -1.11 1.97 4.76 -1.26 -4.91 118.16 120.10 1h64 n LYS 23 Ca 0.24 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.64 1h64 n LYS 23 Cb 0.57 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.75 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h64 n GLY 24 N 0.00 0.52 3.73 0.72 0.00 -1.18 -4.92 105.19 104.06 1h64 n GLY 24 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1h64 n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h64 s PHE 25 N -1.66 3.51 0.10 1.61 2.19 -1.26 -4.37 117.98 118.11 1h64 s PHE 25 Ca 0.00 0.84 0.03 0.00 0.33 0.00 0.00 56.93 58.13 1h64 s PHE 25 Cb 0.00 -2.49 -0.04 0.00 -1.31 0.00 0.00 43.02 39.18 1h64 s PHE 25 CO 0.00 0.21 -0.09 -1.21 1.83 0.00 0.00 175.22 175.96 1h64 s GLU 26 N 0.49 0.85 -0.03 10.12 2.02 -0.84 0.12 118.70 131.42 1h64 s GLU 26 Ca 0.24 -1.22 0.04 0.00 0.02 0.00 0.00 54.97 54.05 1h64 s GLU 26 Cb -0.15 -0.42 -0.01 0.00 0.10 0.00 0.00 34.13 33.65 1h64 s GLU 26 CO 0.09 0.05 -0.16 -0.06 0.02 0.00 0.00 175.26 175.20 1h64 s PHE 27 N -2.85 1.50 -0.06 1.61 0.40 -0.34 0.09 117.98 118.34 1h64 s PHE 27 Ca 0.08 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1h64 s PHE 27 Cb -0.00 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.54 1h64 s PHE 27 CO -0.01 -0.10 -0.12 0.50 0.70 0.00 0.00 175.22 176.19 1h64 s ARG 28 N -0.12 1.54 -0.01 0.44 6.06 -0.28 0.53 118.95 127.11 1h64 s ARG 28 Ca 0.01 -0.39 -0.11 0.00 -2.50 0.00 0.00 55.73 52.73 1h64 s ARG 28 Cb -0.09 -1.30 0.04 0.00 0.06 0.00 0.00 34.95 33.65 1h64 s ARG 28 CO 0.01 0.04 0.51 0.41 -2.50 0.00 0.00 175.30 173.77 1h64 n GLY 29 N 3.72 0.44 3.63 8.12 0.00 -0.79 0.05 105.19 120.36 1h64 n GLY 29 Ca -0.22 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 4.09 -0.32 1.61 3.52 -0.40 -0.30 118.95 125.15 1h64 s ARG 30 Ca 0.12 0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.64 1h64 s ARG 30 Cb -0.00 -3.61 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1h64 s ARG 30 CO -0.00 -0.22 1.38 -1.17 -0.81 0.00 0.00 175.30 174.47 1h64 s LEU 31 N 1.89 3.80 0.00 -0.88 2.96 -0.36 -0.62 118.68 125.48 1h64 s LEU 31 Ca 0.19 1.17 0.05 0.00 -0.22 0.00 0.00 54.13 55.32 1h64 s LEU 31 Cb -0.15 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.03 1h64 s LEU 31 CO 0.09 -1.20 0.63 2.30 -1.32 0.00 0.00 176.35 176.85 1h64 n ILE 32 N 6.47 0.00 -3.63 6.68 -5.35 -0.44 0.92 119.36 124.02 1h64 n ILE 32 Ca 0.16 -0.49 -0.03 0.00 -0.27 0.00 0.00 62.75 62.11 1h64 n ILE 32 Cb 0.47 1.10 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 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 -0.49 -0.35 0.00 3.28 0.00 -1.20 -4.93 107.32 103.63 1h64 s GLY 33 Ca 0.06 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 1h64 s GLY 33 CO 0.07 0.22 1.26 -2.52 0.00 0.00 0.00 173.10 172.13 1h64 s TYR 34 N -2.80 -0.04 0.31 1.90 -0.85 -1.26 -1.16 117.35 113.45 1h64 s TYR 34 Ca 0.11 -0.08 0.06 0.00 -0.52 0.00 0.00 57.07 56.63 1h64 s TYR 34 Cb 0.01 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 1h64 s TYR 34 CO -0.03 -0.33 0.24 0.16 -1.52 0.00 0.00 175.55 174.06 1h64 s ASP 35 N -3.04 1.52 0.61 -0.18 1.47 -0.76 -4.97 116.67 111.32 1h64 s ASP 35 Ca 0.15 -1.68 0.36 0.00 1.18 0.00 0.00 52.55 52.56 1h64 s ASP 35 Cb 0.04 0.52 1.96 0.00 -0.34 0.00 0.00 42.92 45.10 1h64 s ASP 35 CO -0.03 -1.01 2.24 -0.29 0.68 0.00 0.00 175.17 176.77 1h64 h ILE 36 N 2.19 0.27 -0.05 2.11 6.09 -2.04 -1.24 117.51 124.84 1h64 h ILE 36 Ca -0.28 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1h64 h ILE 36 Cb 1.24 1.12 0.00 0.00 0.47 0.00 0.00 36.82 39.65 1h64 h ILE 36 CO 0.41 0.02 0.00 1.41 -3.07 0.00 0.00 178.15 176.93 1h64 n HIS 37 N -3.41 0.06 -1.97 2.19 8.25 -1.26 -4.88 115.22 114.19 1h64 n HIS 37 Ca -0.02 -0.03 -0.09 0.00 -0.26 0.00 0.00 57.72 57.32 1h64 n HIS 37 Cb 0.13 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.20 -1.23 -4.78 2.41 4.77 -0.47 -4.27 117.00 113.24 1h64 n LEU 38 Ca 0.18 0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.83 1h64 n LEU 38 Cb 0.25 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 39.78 1h64 n LEU 38 CO 0.15 -0.17 0.68 0.20 -1.33 0.00 0.00 177.39 176.93 1h64 s ASN 39 N -2.67 7.22 0.08 -1.43 0.01 -1.26 -3.35 114.94 113.54 1h64 s ASN 39 Ca 0.00 1.94 0.03 0.00 -0.71 0.00 0.00 52.86 54.11 1h64 s ASN 39 Cb 0.00 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 1h64 s ASN 39 CO 0.00 -0.15 -0.08 0.68 -1.51 0.00 0.00 177.10 176.03 1h64 s VAL 40 N -1.54 0.74 -0.12 1.60 -7.23 -0.45 -1.82 120.40 111.58 1h64 s VAL 40 Ca 0.51 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1h64 s VAL 40 Cb -0.21 -1.24 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 1h64 s VAL 40 CO 0.27 -0.61 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.58 1h64 s VAL 41 N -2.51 2.60 0.09 1.32 1.01 -0.31 -0.58 120.40 122.01 1h64 s VAL 41 Ca 0.03 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.28 1h64 s VAL 41 Cb -0.02 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1h64 s VAL 41 CO -0.01 0.54 -0.26 -0.76 0.00 0.00 0.00 175.10 174.61 1h64 s LEU 42 N 0.35 2.25 0.15 3.92 1.43 -0.44 -1.32 118.68 125.03 1h64 s LEU 42 Ca -0.15 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.39 1h64 s LEU 42 Cb -0.17 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1h64 s LEU 42 CO 0.07 0.19 -0.19 0.00 0.23 0.00 0.00 176.35 176.65 1h64 s ALA 43 N -0.96 2.65 -1.30 4.21 0.00 0.21 -1.11 121.76 125.47 1h64 s ALA 43 Ca 0.12 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1h64 s ALA 43 Cb -0.10 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1h64 s ALA 43 CO 0.04 0.51 0.55 -0.25 0.00 0.00 0.00 175.76 176.61 1h64 n ASP 44 N 0.50 -2.58 -4.88 0.00 8.00 -0.25 -1.27 116.55 116.07 1h64 n ASP 44 Ca -0.14 -1.10 -0.32 0.00 0.71 0.00 0.00 54.79 53.94 1h64 n ASP 44 Cb 0.54 -2.72 -0.05 0.00 -0.02 0.00 0.00 41.12 38.87 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 -3.76 3.60 -0.05 2.24 0.00 0.35 -4.38 121.76 119.75 1h64 s ALA 45 Ca 0.26 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1h64 s ALA 45 Cb -0.11 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1h64 s ALA 45 CO 0.91 0.52 -0.17 -1.21 0.00 0.00 0.00 175.76 175.82 1h64 s GLU 46 N -2.82 1.85 -0.28 0.00 2.02 0.11 -0.05 118.70 119.54 1h64 s GLU 46 Ca 0.46 -0.59 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 1h64 s GLU 46 Cb -0.11 -1.57 -0.03 0.00 0.10 0.00 0.00 34.13 32.51 1h64 s GLU 46 CO 0.22 0.19 0.38 1.41 0.02 0.00 0.00 175.26 177.49 1h64 s MET 47 N 0.19 3.98 -0.38 1.61 -2.45 0.11 -1.13 119.30 121.24 1h64 s MET 47 Ca -0.07 0.03 -0.11 0.00 -1.25 0.00 0.00 55.69 54.29 1h64 s MET 47 Cb -0.13 -3.67 0.03 0.00 1.25 0.00 0.00 34.83 32.32 1h64 s MET 47 CO 0.03 -0.31 0.20 0.42 1.05 0.00 0.00 175.02 176.42 1h64 s ILE 48 N 2.09 4.52 -0.28 10.11 1.09 0.11 -1.08 121.20 137.76 1h64 s ILE 48 Ca 0.15 -0.91 -0.04 0.00 -1.10 0.00 0.00 60.65 58.75 1h64 s ILE 48 Cb -0.16 -3.54 0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1h64 s ILE 48 CO 0.10 -0.25 0.03 -1.58 -0.10 0.00 0.00 174.94 173.13 1h64 s GLN 49 N 1.54 2.87 -1.43 2.79 0.74 -0.11 -1.99 119.66 124.08 1h64 s GLN 49 Ca 0.02 -0.98 -0.09 0.00 0.05 0.00 0.00 55.36 54.35 1h64 s GLN 49 Cb -0.19 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.71 1h64 s GLN 49 CO 0.06 -0.47 1.03 -3.47 -0.55 0.00 0.00 175.29 171.89 1h64 n ASP 50 N 4.76 -6.01 0.00 6.67 2.03 -1.26 -2.53 116.55 120.21 1h64 n ASP 50 Ca -0.15 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1h64 n ASP 50 Cb 0.47 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 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 -1.85 0.79 3.33 0.27 0.00 -1.26 -5.05 105.19 101.42 1h64 n GLY 51 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1h64 n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h64 s GLU 52 N -0.31 1.27 -0.52 1.61 2.56 -1.05 -5.09 118.70 117.17 1h64 s GLU 52 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 54.97 53.50 1h64 s GLU 52 Cb 0.00 -1.62 0.04 0.00 2.00 0.00 0.00 34.13 34.55 1h64 s GLU 52 CO 0.00 0.38 0.92 0.08 -0.56 0.00 0.00 175.26 176.08 1h64 s VAL 53 N -1.09 4.44 -0.88 3.70 1.01 -1.26 -0.93 120.40 125.38 1h64 s VAL 53 Ca 0.10 0.40 0.21 0.00 0.00 0.00 0.00 61.98 62.69 1h64 s VAL 53 Cb -0.10 -4.49 -0.24 0.00 0.00 0.00 0.00 36.38 31.55 1h64 s VAL 53 CO 0.05 -1.00 0.86 1.33 0.00 0.00 0.00 175.10 176.33 1h64 n VAL 54 N 6.24 0.00 -3.56 2.92 0.24 -0.24 -4.99 118.33 118.94 1h64 n VAL 54 Ca 0.03 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 1h64 n VAL 54 Cb 0.48 0.86 -0.05 0.00 -1.47 0.00 0.00 33.84 33.66 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 -3.06 1.09 0.00 7.34 -0.14 -1.22 -4.98 119.74 118.76 1h64 s LYS 55 Ca 0.06 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 1h64 s LYS 55 Cb 0.16 0.49 -0.00 0.00 -1.68 0.00 0.00 37.83 36.80 1h64 s LYS 55 CO 0.87 -0.41 -0.02 1.03 -0.76 0.00 0.00 175.35 176.06 1h64 s ARG 56 N -2.91 0.13 0.04 1.68 0.52 -1.26 -0.71 118.95 116.44 1h64 s ARG 56 Ca -0.03 -0.10 0.04 0.00 -0.52 0.00 0.00 55.73 55.12 1h64 s ARG 56 Cb -0.00 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.35 1h64 s ARG 56 CO -0.05 0.02 -0.12 0.71 0.02 0.00 0.00 175.30 175.88 1h64 s TYR 57 N -0.16 1.01 0.07 -0.53 1.51 0.93 -4.98 117.35 115.20 1h64 s TYR 57 Ca -0.01 -0.38 -0.15 0.00 -1.01 0.00 0.00 57.07 55.53 1h64 s TYR 57 Cb -0.01 -0.60 -0.22 0.00 -0.11 0.00 0.00 41.96 41.02 1h64 s TYR 57 CO -0.00 0.01 1.20 0.78 -1.11 0.00 0.00 175.55 176.43 1h64 h GLY 58 N 4.82 0.76 -5.65 0.71 0.00 -1.92 0.10 103.07 101.90 1h64 h GLY 58 Ca -0.37 -1.26 -0.13 0.00 0.00 0.00 0.00 47.33 45.56 1h64 h GLY 58 CO 0.43 1.12 -0.33 1.25 0.00 0.00 0.00 176.54 179.01 1h64 s LYS 59 N -3.41 0.36 -0.10 4.80 2.47 -1.26 -1.09 119.74 121.52 1h64 s LYS 59 Ca -0.10 0.69 -0.06 0.00 -1.56 0.00 0.00 55.97 54.94 1h64 s LYS 59 Cb 0.07 0.00 0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1h64 s LYS 59 CO 0.90 -0.14 0.24 -1.50 0.16 0.00 0.00 175.35 175.01 1h64 s ILE 60 N 1.15 -0.03 -0.28 5.43 2.07 -0.27 -5.00 121.20 124.28 1h64 s ILE 60 Ca -0.08 0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 59.15 1h64 s ILE 60 Cb -0.08 -0.36 -0.05 0.00 0.13 0.00 0.00 42.46 42.11 1h64 s ILE 60 CO -0.09 0.05 0.24 -0.69 -1.91 0.00 0.00 174.94 172.53 1h64 s VAL 61 N 0.96 5.27 -0.19 4.00 1.01 -1.26 -1.32 120.40 128.87 1h64 s VAL 61 Ca -0.07 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1h64 s VAL 61 Cb -0.08 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1h64 s VAL 61 CO -0.06 0.22 -0.02 -0.63 0.00 0.00 0.00 175.10 174.61 1h64 s ILE 62 N 1.84 3.83 0.16 2.22 1.01 0.25 -4.97 121.20 125.54 1h64 s ILE 62 Ca 0.09 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1h64 s ILE 62 Cb -0.16 -2.71 -0.08 0.00 0.01 0.00 0.00 42.46 39.52 1h64 s ILE 62 CO 0.11 0.45 1.24 -0.13 0.00 0.00 0.00 174.94 176.61 1h64 s ARG 63 N 0.87 4.44 0.45 2.79 0.52 -1.26 -1.34 118.95 125.42 1h64 s ARG 63 Ca 0.00 1.92 0.12 0.00 -0.52 0.00 0.00 55.73 57.25 1h64 s ARG 63 Cb -0.14 -3.25 1.03 0.00 0.52 0.00 0.00 34.95 33.11 1h64 s ARG 63 CO 0.02 -0.19 2.06 0.78 0.02 0.00 0.00 175.30 177.98 1h64 h GLY 64 N 5.69 0.41 0.25 -3.53 0.00 -1.73 -2.93 103.07 101.22 1h64 h GLY 64 Ca -0.44 -0.14 0.23 0.00 0.00 0.00 0.00 47.33 46.98 1h64 h GLY 64 CO 0.77 0.12 0.62 -1.80 0.00 0.00 0.00 176.54 176.25 1h64 h ASP 65 N 0.36 0.23 -0.00 0.19 1.82 -1.88 0.69 116.42 117.82 1h64 h ASP 65 Ca 0.16 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1h64 h ASP 65 Cb 0.17 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1h64 h ASP 65 CO -0.04 0.08 -0.05 0.59 -1.61 0.00 0.00 179.24 178.21 1h64 n ASN 66 N -4.41 2.18 -4.73 2.28 3.02 -1.11 -4.92 115.26 107.57 1h64 n ASN 66 Ca 0.19 -1.68 -0.41 0.00 -0.03 0.00 0.00 54.58 52.65 1h64 n ASN 66 Cb 0.82 0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.99 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 -2.07 4.59 -0.19 2.41 1.01 0.23 -2.14 120.40 124.24 1h64 s VAL 67 Ca 0.31 2.04 -0.14 0.00 0.00 0.00 0.00 61.98 64.18 1h64 s VAL 67 Cb 0.20 -4.31 -0.21 0.00 0.00 0.00 0.00 36.38 32.07 1h64 s VAL 67 CO 0.35 0.29 0.18 -0.11 0.00 0.00 0.00 175.10 175.81 1h64 n LEU 68 N 3.00 2.20 -3.53 3.92 7.94 0.19 -4.84 117.00 125.88 1h64 n LEU 68 Ca 0.03 0.31 -0.10 0.00 -1.11 0.00 0.00 56.01 55.14 1h64 n LEU 68 Cb 0.50 -1.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.43 1h64 n LEU 68 CO 0.51 0.54 0.52 0.00 -1.11 0.00 0.00 177.39 177.85 1h64 s ALA 69 N -2.45 -1.62 -0.07 1.96 0.00 -0.84 -5.01 121.76 113.73 1h64 s ALA 69 Ca -0.28 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1h64 s ALA 69 Cb 0.07 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1h64 s ALA 69 CO 0.64 -0.80 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 1h64 s ILE 70 N -3.56 0.89 -0.17 0.00 1.01 -1.26 -0.32 121.20 117.79 1h64 s ILE 70 Ca 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 1h64 s ILE 70 Cb -0.02 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.63 1h64 s ILE 70 CO -0.08 0.31 -0.06 -0.55 0.00 0.00 0.00 174.94 174.56 1h64 s SER 71 N 1.03 2.94 -0.05 3.58 0.15 -0.26 -4.97 113.70 116.12 1h64 s SER 71 Ca -0.08 -0.71 -0.30 0.00 0.70 0.00 0.00 55.95 55.56 1h64 s SER 71 Cb -0.14 -0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 63.17 1h64 s SER 71 CO -0.00 -0.18 1.15 -2.16 1.20 0.00 0.00 173.24 173.24 1h64 s PRO 72 N 1.59 4.39 0.00 5.44 0.04 -1.26 -0.47 135.00 144.73 1h64 s PRO 72 Ca 0.00 1.61 0.17 0.00 0.04 0.00 0.00 61.00 62.82 1h64 s PRO 72 Cb -0.15 -3.53 0.13 0.00 0.04 0.00 0.00 34.50 30.99 1h64 s PRO 72 CO -0.08 -0.38 1.03 0.25 0.04 0.00 0.00 177.00 177.87