#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 2.97 0.24 3.44 0.52 -1.26 -4.79 118.95 120.06 1h64 s ARG 4 Ca 0.00 1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 56.20 1h64 s ARG 4 Cb 0.00 -1.99 0.35 0.00 0.52 0.00 0.00 34.95 33.83 1h64 s ARG 4 CO 0.00 -1.08 1.61 -1.35 0.02 0.00 0.00 175.30 174.50 1h64 h PRO 5 N -0.34 0.02 0.00 3.54 0.11 -2.05 0.14 132.00 133.42 1h64 h PRO 5 Ca -0.45 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1h64 h PRO 5 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1h64 h PRO 5 CO 0.56 0.02 -0.38 -0.07 -0.21 0.00 0.00 178.00 177.92 1h64 h LEU 6 N 0.03 0.00 -0.27 2.35 3.38 -1.99 -2.11 115.31 116.70 1h64 h LEU 6 Ca 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 1h64 h LEU 6 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1h64 h LEU 6 CO -0.74 0.38 -0.05 0.44 0.09 0.00 0.00 178.44 178.56 1h64 h ASP 7 N 0.00 0.51 -0.43 -0.43 3.32 -1.11 -0.55 116.42 117.73 1h64 h ASP 7 Ca -0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1h64 h ASP 7 Cb 0.77 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1h64 h ASP 7 CO 0.05 0.74 0.27 0.58 -1.72 0.00 0.00 179.24 179.16 1h64 h VAL 8 N 0.26 1.12 -0.43 -1.35 2.07 -1.13 -0.76 116.25 116.04 1h64 h VAL 8 Ca 0.07 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1h64 h VAL 8 Cb 0.51 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1h64 h VAL 8 CO 0.02 0.12 0.20 0.40 0.02 0.00 0.00 177.57 178.33 1h64 h ILE 9 N 0.57 1.19 -0.49 4.57 2.04 -1.32 -2.58 117.51 121.49 1h64 h ILE 9 Ca 0.15 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1h64 h ILE 9 Cb -0.03 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1h64 h ILE 9 CO -0.03 0.21 0.26 -0.74 0.00 0.00 0.00 178.15 177.85 1h64 h HIS 10 N 0.56 0.48 0.00 1.37 2.76 -0.80 -0.51 115.15 119.01 1h64 h HIS 10 Ca 0.15 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1h64 h HIS 10 Cb 0.15 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1h64 h HIS 10 CO -0.01 0.25 0.00 0.54 -1.30 0.00 0.00 177.93 177.42 1h64 n ARG 11 N -4.86 0.09 -0.09 5.26 1.74 -0.32 -2.24 116.66 116.24 1h64 n ARG 11 Ca 0.04 0.43 0.12 0.00 -0.77 0.00 0.00 57.85 57.67 1h64 n ARG 11 Cb 0.11 -1.71 0.30 0.00 -1.02 0.00 0.00 32.46 30.15 1h64 n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1h64 n SER 12 N -1.88 2.40 -4.71 0.55 7.64 -0.20 -4.93 113.62 112.48 1h64 n SER 12 Ca 0.01 -1.81 -0.43 0.00 1.01 0.00 0.00 58.87 57.66 1h64 n SER 12 Cb 0.13 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.82 3.79 -0.08 -3.43 4.77 -0.95 -1.35 117.00 120.56 1h64 n LEU 13 Ca 0.17 1.19 -0.01 0.00 -0.03 0.00 0.00 56.01 57.34 1h64 n LEU 13 Cb 0.46 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1h64 n LEU 13 CO 0.15 -0.30 -0.01 0.47 -1.33 0.00 0.00 177.39 176.37 1h64 n ASP 14 N 1.08 -4.91 -4.49 -1.43 10.43 0.38 -4.97 116.55 112.65 1h64 n ASP 14 Ca 0.06 0.03 -0.24 0.00 2.57 0.00 0.00 54.79 57.20 1h64 n ASP 14 Cb 0.36 -2.50 -0.10 0.00 1.84 0.00 0.00 41.12 40.72 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1h64 s LYS 15 N -1.43 1.73 0.38 -1.24 1.02 -0.46 -4.86 119.74 114.87 1h64 s LYS 15 Ca 0.00 -1.75 -0.24 0.00 0.02 0.00 0.00 55.97 54.00 1h64 s LYS 15 Cb 0.00 -1.79 -0.10 0.00 -0.52 0.00 0.00 37.83 35.42 1h64 s LYS 15 CO 0.00 0.32 0.97 -0.51 -0.92 0.00 0.00 175.35 175.21 1h64 s ASP 16 N -3.53 7.06 0.07 2.83 1.11 -1.26 -1.06 116.67 121.89 1h64 s ASP 16 Ca 0.30 1.84 -0.06 0.00 0.18 0.00 0.00 52.55 54.81 1h64 s ASP 16 Cb -0.05 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 1h64 s ASP 16 CO 0.15 -0.27 0.10 0.68 1.18 0.00 0.00 175.17 177.02 1h64 s VAL 17 N -1.81 0.17 -0.18 -1.27 -7.23 0.20 -0.62 120.40 109.65 1h64 s VAL 17 Ca 0.56 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 1h64 s VAL 17 Cb -0.16 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 1h64 s VAL 17 CO 0.21 -0.77 -0.05 -0.22 -0.31 0.00 0.00 175.10 173.96 1h64 s LEU 18 N -2.80 2.99 -0.32 1.32 2.96 0.40 -1.77 118.68 121.45 1h64 s LEU 18 Ca 0.05 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1h64 s LEU 18 Cb 0.05 -1.74 0.05 0.00 0.50 0.00 0.00 46.19 45.06 1h64 s LEU 18 CO -0.10 0.07 0.06 -0.69 -1.32 0.00 0.00 176.35 174.37 1h64 s VAL 19 N 0.93 3.36 -0.15 1.68 1.01 0.93 -0.70 120.40 127.46 1h64 s VAL 19 Ca -0.01 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 1h64 s VAL 19 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1h64 s VAL 19 CO 0.01 -0.17 0.48 -0.63 0.00 0.00 0.00 175.10 174.79 1h64 s ILE 20 N 1.31 5.16 0.46 2.22 1.01 0.87 -0.80 121.20 131.43 1h64 s ILE 20 Ca -0.03 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1h64 s ILE 20 Cb -0.20 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1h64 s ILE 20 CO 0.00 0.27 0.68 -0.76 0.00 0.00 0.00 174.94 175.14 1h64 s LEU 21 N 1.00 3.62 0.00 2.97 1.43 0.84 -0.33 118.68 128.21 1h64 s LEU 21 Ca 0.25 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1h64 s LEU 21 Cb -0.15 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1h64 s LEU 21 CO 0.10 -0.72 0.60 0.29 0.23 0.00 0.00 176.35 176.84 1h64 n LYS 22 N -2.10 0.59 -2.48 1.70 5.02 -1.06 -3.62 118.16 116.22 1h64 n LYS 22 Ca 0.02 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1h64 n LYS 22 Cb 0.58 -1.20 0.05 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.71 1.27 -1.77 1.97 4.76 -1.26 -4.93 118.16 118.92 1h64 n LYS 23 Ca 0.00 -2.70 -0.08 0.00 -2.87 0.00 0.00 58.31 52.67 1h64 n LYS 23 Cb 0.30 -0.85 -0.02 0.00 -1.84 0.00 0.00 35.03 32.62 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 -0.55 0.19 3.41 0.72 0.00 -1.24 -4.85 105.19 102.87 1h64 n GLY 24 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.97 2.80 0.05 1.61 5.36 -1.26 -4.00 117.98 120.58 1h64 s PHE 25 Ca 0.00 -0.48 -0.05 0.00 -0.96 0.00 0.00 56.93 55.44 1h64 s PHE 25 Cb 0.00 -1.79 -0.02 0.00 -0.34 0.00 0.00 43.02 40.87 1h64 s PHE 25 CO 0.00 -0.08 0.08 -1.83 -1.46 0.00 0.00 175.22 171.92 1h64 s GLU 26 N 0.04 0.65 0.08 10.12 -1.05 -0.54 -0.11 118.70 127.88 1h64 s GLU 26 Ca -0.04 -0.94 0.10 0.00 -0.15 0.00 0.00 54.97 53.94 1h64 s GLU 26 Cb -0.14 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.76 1h64 s GLU 26 CO 0.04 -0.16 -0.27 -0.06 0.95 0.00 0.00 175.26 175.76 1h64 s PHE 27 N -3.27 2.32 -0.02 4.83 0.40 0.02 0.37 117.98 122.64 1h64 s PHE 27 Ca 0.01 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1h64 s PHE 27 Cb 0.03 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.23 1h64 s PHE 27 CO -0.08 0.22 -0.03 0.50 0.70 0.00 0.00 175.22 176.53 1h64 s ARG 28 N -1.58 0.42 0.00 0.44 3.52 -0.67 -0.05 118.95 121.03 1h64 s ARG 28 Ca 0.13 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1h64 s ARG 28 Cb -0.10 -0.45 0.00 0.00 -1.56 0.00 0.00 34.95 32.84 1h64 s ARG 28 CO 0.04 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.95 1h64 n GLY 29 N 3.41 -1.50 3.66 8.12 0.00 -0.73 -0.80 105.19 117.35 1h64 n GLY 29 Ca -0.18 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.46 4.24 -0.16 1.61 3.52 -0.65 -0.63 118.95 125.42 1h64 s ARG 30 Ca 0.00 0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 56.17 1h64 s ARG 30 Cb 0.00 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1h64 s ARG 30 CO 0.00 -0.35 1.18 -1.17 -0.81 0.00 0.00 175.30 174.15 1h64 s LEU 31 N 2.26 4.18 0.00 -0.88 2.96 -0.22 0.23 118.68 127.21 1h64 s LEU 31 Ca 0.34 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 1h64 s LEU 31 Cb -0.16 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1h64 s LEU 31 CO 0.10 -0.69 0.38 2.30 -1.32 0.00 0.00 176.35 177.13 1h64 n ILE 32 N 5.19 0.00 -3.61 6.68 -5.35 -0.55 0.15 119.36 121.87 1h64 n ILE 32 Ca 0.13 -0.45 -0.04 0.00 -0.27 0.00 0.00 62.75 62.12 1h64 n ILE 32 Cb 0.46 1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 39.42 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 -0.13 -0.28 0.23 3.28 0.00 -1.18 -4.91 107.32 104.33 1h64 s GLY 33 Ca 0.00 1.63 -0.21 0.00 0.00 0.00 0.00 44.72 46.13 1h64 s GLY 33 CO 0.00 0.54 0.92 -2.52 0.00 0.00 0.00 173.10 172.04 1h64 s TYR 34 N -2.33 -0.00 0.28 1.90 -0.85 -1.26 -0.51 117.35 114.58 1h64 s TYR 34 Ca 0.10 -0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.22 1h64 s TYR 34 Cb -0.01 0.72 -0.02 0.00 0.38 0.00 0.00 41.96 43.03 1h64 s TYR 34 CO -0.04 -1.08 0.29 0.16 -1.52 0.00 0.00 175.55 173.35 1h64 s ASP 35 N -3.14 0.85 0.65 -0.18 1.47 -0.97 -5.00 116.67 110.35 1h64 s ASP 35 Ca 0.16 -1.51 0.36 0.00 1.18 0.00 0.00 52.55 52.75 1h64 s ASP 35 Cb -0.03 0.52 1.98 0.00 -0.34 0.00 0.00 42.92 45.05 1h64 s ASP 35 CO 0.06 -1.04 2.15 -0.29 0.68 0.00 0.00 175.17 176.72 1h64 h ILE 36 N 2.31 0.09 -0.03 2.11 6.09 -2.03 -1.01 117.51 125.02 1h64 h ILE 36 Ca -0.29 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 1h64 h ILE 36 Cb 1.24 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.37 1h64 h ILE 36 CO 0.42 0.00 0.00 1.41 -3.07 0.00 0.00 178.15 176.91 1h64 n HIS 37 N -3.15 0.03 -1.56 2.19 8.25 -1.26 -4.90 115.22 114.83 1h64 n HIS 37 Ca -0.02 -0.02 -0.06 0.00 -0.26 0.00 0.00 57.72 57.37 1h64 n HIS 37 Cb 0.24 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.13 -0.78 -4.76 2.41 4.77 -0.38 -4.41 117.00 113.72 1h64 n LEU 38 Ca 0.19 0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.86 1h64 n LEU 38 Cb 0.28 -1.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 1h64 n LEU 38 CO 0.16 -0.21 0.67 0.20 -1.33 0.00 0.00 177.39 176.88 1h64 s ASN 39 N -2.85 7.53 0.18 -1.43 0.01 -1.26 -3.23 114.94 113.89 1h64 s ASN 39 Ca 0.00 1.98 0.05 0.00 -0.71 0.00 0.00 52.86 54.19 1h64 s ASN 39 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 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 -1.25 1.35 -0.13 1.60 -7.23 -0.69 -2.30 120.40 111.73 1h64 s VAL 40 Ca 0.43 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1h64 s VAL 40 Cb -0.26 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.68 1h64 s VAL 40 CO 0.32 -0.61 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.61 1h64 s VAL 41 N -3.22 1.91 0.11 1.32 1.01 0.34 -0.98 120.40 120.88 1h64 s VAL 41 Ca 0.21 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1h64 s VAL 41 Cb 0.02 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1h64 s VAL 41 CO 0.04 0.52 -0.12 -0.76 0.00 0.00 0.00 175.10 174.79 1h64 s LEU 42 N 0.89 2.97 0.08 3.92 1.43 0.12 -1.48 118.68 126.61 1h64 s LEU 42 Ca -0.06 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1h64 s LEU 42 Cb -0.15 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1h64 s LEU 42 CO -0.03 0.18 -0.13 0.00 0.23 0.00 0.00 176.35 176.61 1h64 s ALA 43 N -1.20 2.84 -1.22 4.21 0.00 0.14 -1.45 121.76 125.08 1h64 s ALA 43 Ca 0.21 -1.22 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 1h64 s ALA 43 Cb -0.11 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.17 1h64 s ALA 43 CO 0.13 0.62 0.67 -0.25 0.00 0.00 0.00 175.76 176.93 1h64 n ASP 44 N 1.01 -4.05 -4.92 0.00 8.00 0.36 -1.64 116.55 115.32 1h64 n ASP 44 Ca -0.15 -1.17 -0.26 0.00 0.71 0.00 0.00 54.79 53.92 1h64 n ASP 44 Cb 0.52 -2.45 -0.02 0.00 -0.02 0.00 0.00 41.12 39.15 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 -3.58 3.62 -0.04 2.24 0.00 0.52 -4.47 121.76 120.04 1h64 s ALA 45 Ca 0.42 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1h64 s ALA 45 Cb -0.20 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1h64 s ALA 45 CO 0.92 0.03 -0.07 -1.21 0.00 0.00 0.00 175.76 175.43 1h64 s GLU 46 N -4.08 0.98 -0.24 0.00 2.02 0.02 -0.61 118.70 116.80 1h64 s GLU 46 Ca 0.43 -0.22 -0.20 0.00 0.02 0.00 0.00 54.97 55.00 1h64 s GLU 46 Cb -0.10 -0.92 -0.02 0.00 0.10 0.00 0.00 34.13 33.19 1h64 s GLU 46 CO 0.35 0.01 0.60 1.41 0.02 0.00 0.00 175.26 177.65 1h64 s MET 47 N 0.59 4.14 -0.14 1.61 -2.45 0.53 -1.66 119.30 121.91 1h64 s MET 47 Ca -0.09 0.51 -0.02 0.00 -1.25 0.00 0.00 55.69 54.85 1h64 s MET 47 Cb -0.12 -3.62 -0.02 0.00 1.25 0.00 0.00 34.83 32.32 1h64 s MET 47 CO 0.01 -0.33 -0.09 0.42 1.05 0.00 0.00 175.02 176.08 1h64 s ILE 48 N 2.22 3.36 -0.09 10.11 1.01 0.16 -0.10 121.20 137.87 1h64 s ILE 48 Ca 0.26 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1h64 s ILE 48 Cb -0.16 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1h64 s ILE 48 CO 0.09 0.51 -0.12 -1.58 0.00 0.00 0.00 174.94 173.84 1h64 s GLN 49 N 0.41 1.76 -1.04 2.79 0.74 -0.21 -1.47 119.66 122.63 1h64 s GLN 49 Ca -0.08 -0.40 -0.03 0.00 0.05 0.00 0.00 55.36 54.90 1h64 s GLN 49 Cb -0.15 -1.54 0.02 0.00 1.10 0.00 0.00 33.01 32.44 1h64 s GLN 49 CO 0.04 -0.06 0.15 -0.25 -0.55 0.00 0.00 175.29 174.62 1h64 n ASP 50 N 4.17 -3.65 0.00 6.67 8.00 -1.26 -0.28 116.55 130.20 1h64 n ASP 50 Ca -0.20 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1h64 n ASP 50 Cb 0.51 -3.09 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h64 n GLY 51 N -0.90 0.79 3.35 0.44 0.00 -1.26 -5.05 105.19 102.56 1h64 n GLY 51 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.42 3.15 -0.24 1.61 2.12 0.62 -5.08 118.70 120.47 1h64 s GLU 52 Ca 0.00 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 1h64 s GLU 52 Cb 0.00 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.85 1h64 s GLU 52 CO 0.00 0.27 1.81 0.08 -0.54 0.00 0.00 175.26 176.89 1h64 s VAL 53 N 0.17 3.44 -0.09 3.70 1.01 -1.26 -1.05 120.40 126.33 1h64 s VAL 53 Ca -0.09 0.48 0.17 0.00 0.00 0.00 0.00 61.98 62.54 1h64 s VAL 53 Cb -0.15 -3.51 -0.25 0.00 0.00 0.00 0.00 36.38 32.47 1h64 s VAL 53 CO 0.05 -0.27 0.24 1.33 0.00 0.00 0.00 175.10 176.46 1h64 n VAL 54 N 6.95 0.52 -3.90 2.92 0.24 0.85 -4.97 118.33 120.93 1h64 n VAL 54 Ca 0.22 -0.55 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 1h64 n VAL 54 Cb 0.45 -0.20 -0.09 0.00 -1.47 0.00 0.00 33.84 32.53 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 -2.87 0.64 -0.02 7.34 -0.14 -1.16 -4.97 119.74 118.55 1h64 s LYS 55 Ca -0.07 -0.73 0.03 0.00 -1.36 0.00 0.00 55.97 53.83 1h64 s LYS 55 Cb 0.09 0.25 -0.00 0.00 -1.68 0.00 0.00 37.83 36.49 1h64 s LYS 55 CO 0.72 -0.17 -0.11 1.03 -0.76 0.00 0.00 175.35 176.06 1h64 s ARG 56 N -2.69 1.02 -0.03 1.68 0.52 -1.26 -0.35 118.95 117.85 1h64 s ARG 56 Ca -0.04 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1h64 s ARG 56 Cb -0.01 -0.96 0.01 0.00 0.52 0.00 0.00 34.95 34.51 1h64 s ARG 56 CO -0.05 0.19 -0.07 0.71 0.02 0.00 0.00 175.30 176.11 1h64 s TYR 57 N -0.06 0.79 0.18 -0.53 1.51 0.22 -4.99 117.35 114.46 1h64 s TYR 57 Ca 0.01 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 55.76 1h64 s TYR 57 Cb -0.07 -0.59 0.10 0.00 -0.11 0.00 0.00 41.96 41.29 1h64 s TYR 57 CO 0.00 -0.10 1.79 0.78 -1.11 0.00 0.00 175.55 176.91 1h64 h GLY 58 N 6.53 0.95 -5.28 0.71 0.00 -1.94 0.15 103.07 104.19 1h64 h GLY 58 Ca -0.34 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.41 1h64 h GLY 58 CO 0.49 0.42 -0.33 1.25 0.00 0.00 0.00 176.54 178.36 1h64 s LYS 59 N -5.83 0.39 -0.12 4.80 2.47 -1.26 -0.48 119.74 119.70 1h64 s LYS 59 Ca -0.13 0.43 -0.10 0.00 -1.56 0.00 0.00 55.97 54.61 1h64 s LYS 59 Cb 0.13 0.19 0.03 0.00 -1.46 0.00 0.00 37.83 36.72 1h64 s LYS 59 CO 0.78 -0.05 0.31 -1.50 0.16 0.00 0.00 175.35 175.05 1h64 s ILE 60 N 0.13 -0.00 -0.28 5.43 2.07 -0.53 -5.00 121.20 123.02 1h64 s ILE 60 Ca -0.00 0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.18 1h64 s ILE 60 Cb -0.02 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1h64 s ILE 60 CO 0.01 0.01 0.08 -0.69 -1.91 0.00 0.00 174.94 172.43 1h64 s VAL 61 N 0.29 4.16 -0.15 4.00 1.01 -1.26 -0.70 120.40 127.75 1h64 s VAL 61 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1h64 s VAL 61 Cb -0.03 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1h64 s VAL 61 CO -0.01 0.18 0.04 -0.63 0.00 0.00 0.00 175.10 174.69 1h64 s ILE 62 N 1.56 4.61 0.06 2.22 1.01 -0.15 -4.98 121.20 125.53 1h64 s ILE 62 Ca 0.04 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 1h64 s ILE 62 Cb -0.16 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 1h64 s ILE 62 CO 0.03 0.52 0.94 -0.13 0.00 0.00 0.00 174.94 176.30 1h64 s ARG 63 N -0.10 4.63 0.47 2.79 0.52 -1.26 -1.71 118.95 124.28 1h64 s ARG 63 Ca 0.06 1.38 0.17 0.00 -0.52 0.00 0.00 55.73 56.82 1h64 s ARG 63 Cb -0.12 -3.40 1.15 0.00 0.52 0.00 0.00 34.95 33.09 1h64 s ARG 63 CO 0.01 0.14 2.00 0.78 0.02 0.00 0.00 175.30 178.25 1h64 h GLY 64 N 6.00 0.38 1.30 -3.53 0.00 -1.76 -2.58 103.07 102.88 1h64 h GLY 64 Ca -0.42 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 46.85 1h64 h GLY 64 CO 0.73 0.06 0.30 -1.80 0.00 0.00 0.00 176.54 175.83 1h64 h ASP 65 N 0.27 0.00 -0.42 0.19 -0.00 -1.87 0.20 116.42 114.79 1h64 h ASP 65 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 1h64 h ASP 65 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.95 1h64 h ASP 65 CO -0.05 0.00 0.00 0.59 -0.00 0.00 0.00 179.24 179.78 1h64 n ASN 66 N -3.41 3.29 -4.75 2.28 3.02 -0.97 -4.97 115.26 109.75 1h64 n ASN 66 Ca 0.02 -1.94 -0.39 0.00 -0.03 0.00 0.00 54.58 52.24 1h64 n ASN 66 Cb 0.41 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.18 5.04 -0.17 2.41 1.01 0.06 -2.56 120.40 125.00 1h64 s VAL 67 Ca 0.35 1.14 -0.20 0.00 0.00 0.00 0.00 61.98 63.27 1h64 s VAL 67 Cb 0.19 -3.89 -0.22 0.00 0.00 0.00 0.00 36.38 32.46 1h64 s VAL 67 CO 0.26 0.37 0.37 0.25 0.00 0.00 0.00 175.10 176.35 1h64 h LEU 68 N 6.12 0.11 -7.50 3.92 5.85 -0.94 -3.46 115.31 119.41 1h64 h LEU 68 Ca -0.44 -0.68 0.06 0.00 0.84 0.00 0.00 57.88 57.66 1h64 h LEU 68 Cb 1.19 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1h64 h LEU 68 CO 0.72 1.49 0.29 0.00 -0.34 0.00 0.00 178.44 180.60 1h64 s ALA 69 N -2.39 -1.48 -0.03 1.25 0.00 -1.06 -5.02 121.76 113.03 1h64 s ALA 69 Ca -0.25 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1h64 s ALA 69 Cb 0.04 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1h64 s ALA 69 CO 0.66 -0.91 0.01 0.42 0.00 0.00 0.00 175.76 175.93 1h64 s ILE 70 N -3.67 0.16 -0.10 0.00 1.01 -1.26 -0.09 121.20 117.24 1h64 s ILE 70 Ca 0.07 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1h64 s ILE 70 Cb -0.03 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.18 1h64 s ILE 70 CO -0.02 0.16 -0.10 -0.55 0.00 0.00 0.00 174.94 174.43 1h64 s SER 71 N 1.25 2.08 0.10 3.58 0.15 0.12 -4.98 113.70 116.01 1h64 s SER 71 Ca -0.07 -0.32 -0.31 0.00 0.70 0.00 0.00 55.95 55.96 1h64 s SER 71 Cb -0.13 -0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 63.24 1h64 s SER 71 CO -0.02 -0.06 1.32 -2.16 1.20 0.00 0.00 173.24 173.52 1h64 s PRO 72 N 1.33 4.36 0.00 5.44 0.04 -1.26 -0.46 135.00 144.45 1h64 s PRO 72 Ca -0.02 1.97 0.29 0.00 0.04 0.00 0.00 61.00 63.28 1h64 s PRO 72 Cb -0.14 -3.28 1.26 0.00 0.04 0.00 0.00 34.50 32.39 1h64 s PRO 72 CO -0.04 -0.36 1.86 2.41 0.04 0.00 0.00 177.00 180.91