#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 3.22 0.26 3.49 0.52 -1.26 -4.81 118.95 120.36 1h64 s ARG 4 Ca 0.00 1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 56.37 1h64 s ARG 4 Cb 0.00 -2.02 0.52 0.00 0.52 0.00 0.00 34.95 33.98 1h64 s ARG 4 CO 0.00 -0.89 1.63 -1.35 0.02 0.00 0.00 175.30 174.70 1h64 h PRO 5 N 0.27 0.10 0.00 3.54 0.11 -2.05 0.14 132.00 134.11 1h64 h PRO 5 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1h64 h PRO 5 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1h64 h PRO 5 CO 0.57 0.07 -0.38 1.25 -0.21 0.00 0.00 178.00 179.30 1h64 h LEU 6 N 0.10 0.00 -0.07 2.35 5.85 -1.99 -2.27 115.31 119.29 1h64 h LEU 6 Ca 0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 1h64 h LEU 6 Cb 0.86 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1h64 h LEU 6 CO -0.71 0.38 -0.01 0.44 -0.34 0.00 0.00 178.44 178.19 1h64 h ASP 7 N 0.00 0.13 -0.76 1.25 3.45 -1.12 0.57 116.42 119.94 1h64 h ASP 7 Ca -0.00 -0.35 0.01 0.00 0.43 0.00 0.00 57.03 57.11 1h64 h ASP 7 Cb 0.84 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.54 1h64 h ASP 7 CO 0.05 0.45 0.51 0.58 -1.57 0.00 0.00 179.24 179.26 1h64 h VAL 8 N -0.20 1.19 -0.52 -1.35 2.07 -1.23 -0.24 116.25 115.98 1h64 h VAL 8 Ca 0.02 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1h64 h VAL 8 Cb 0.39 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1h64 h VAL 8 CO 0.01 0.19 0.02 0.40 0.02 0.00 0.00 177.57 178.20 1h64 h ILE 9 N 1.03 1.26 -0.63 4.57 1.08 -1.29 -2.41 117.51 121.12 1h64 h ILE 9 Ca 0.28 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 1h64 h ILE 9 Cb -0.11 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 1h64 h ILE 9 CO -0.06 0.38 0.25 -0.74 -0.69 0.00 0.00 178.15 177.28 1h64 h HIS 10 N 0.77 0.96 0.00 1.37 2.76 -0.43 -2.09 115.15 118.49 1h64 h HIS 10 Ca 0.15 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1h64 h HIS 10 Cb 0.50 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1h64 h HIS 10 CO 0.04 0.76 0.00 -0.09 -1.30 0.00 0.00 177.93 177.33 1h64 h ARG 11 N 0.88 0.00 -0.03 5.26 2.43 -0.88 -2.67 114.38 119.37 1h64 h ARG 11 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1h64 h ARG 11 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1h64 h ARG 11 CO -0.02 0.00 0.00 0.43 -1.51 0.00 0.00 179.97 178.87 1h64 n SER 12 N -2.89 0.84 -4.76 -3.80 7.64 -0.79 -4.88 113.62 104.98 1h64 n SER 12 Ca 0.00 -1.36 -0.41 0.00 1.01 0.00 0.00 58.87 58.10 1h64 n SER 12 Cb 0.24 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.31 4.52 -0.76 -3.43 4.77 -1.01 -1.30 117.00 119.48 1h64 n LEU 13 Ca 0.19 1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 57.25 1h64 n LEU 13 Cb 0.23 -1.61 -0.04 0.00 -2.33 0.00 0.00 43.42 39.67 1h64 n LEU 13 CO 0.16 0.17 -0.09 0.47 -1.33 0.00 0.00 177.39 176.76 1h64 n ASP 14 N 1.69 -4.92 -4.62 -1.43 10.43 0.41 -4.98 116.55 113.13 1h64 n ASP 14 Ca 0.06 0.24 -0.26 0.00 2.57 0.00 0.00 54.79 57.41 1h64 n ASP 14 Cb 0.37 -3.29 -0.10 0.00 1.84 0.00 0.00 41.12 39.95 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 -2.64 1.99 0.12 -1.24 1.02 -0.42 -4.87 119.74 113.71 1h64 s LYS 15 Ca 0.00 -1.92 -0.28 0.00 0.02 0.00 0.00 55.97 53.79 1h64 s LYS 15 Cb 0.00 -1.79 -0.07 0.00 -0.52 0.00 0.00 37.83 35.45 1h64 s LYS 15 CO 0.00 0.05 0.88 0.34 -0.92 0.00 0.00 175.35 175.70 1h64 s ASP 16 N -3.71 7.43 0.06 2.83 -1.08 -1.26 -1.16 116.67 119.77 1h64 s ASP 16 Ca 0.35 1.70 0.02 0.00 -0.52 0.00 0.00 52.55 54.10 1h64 s ASP 16 Cb 0.04 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.93 1h64 s ASP 16 CO 0.19 0.03 -0.07 0.68 0.52 0.00 0.00 175.17 176.52 1h64 s VAL 17 N -0.37 0.56 -0.17 1.11 -7.23 -0.05 -1.45 120.40 112.81 1h64 s VAL 17 Ca 0.42 -1.37 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 1h64 s VAL 17 Cb -0.23 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 1h64 s VAL 17 CO 0.28 -0.56 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.23 1h64 s LEU 18 N -2.08 3.08 -0.31 1.32 2.96 -0.20 -2.04 118.68 121.40 1h64 s LEU 18 Ca -0.03 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1h64 s LEU 18 Cb -0.05 -1.75 0.06 0.00 0.50 0.00 0.00 46.19 44.96 1h64 s LEU 18 CO -0.02 0.12 0.02 -0.69 -1.32 0.00 0.00 176.35 174.47 1h64 s VAL 19 N 0.66 2.96 -0.17 1.68 1.01 0.87 -1.00 120.40 126.42 1h64 s VAL 19 Ca -0.03 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 1h64 s VAL 19 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1h64 s VAL 19 CO 0.02 -0.20 0.49 -0.63 0.00 0.00 0.00 175.10 174.78 1h64 s ILE 20 N 1.22 5.15 0.36 2.22 1.01 0.18 -1.05 121.20 130.29 1h64 s ILE 20 Ca -0.03 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.58 1h64 s ILE 20 Cb -0.20 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1h64 s ILE 20 CO -0.02 0.24 0.53 -0.76 0.00 0.00 0.00 174.94 174.93 1h64 s LEU 21 N 1.22 3.92 0.00 2.97 1.02 -0.00 0.42 118.68 128.23 1h64 s LEU 21 Ca 0.24 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.46 1h64 s LEU 21 Cb -0.15 -2.96 0.00 0.00 0.02 0.00 0.00 46.19 43.10 1h64 s LEU 21 CO 0.10 -0.45 0.00 0.29 0.02 0.00 0.00 176.35 176.30 1h64 n LYS 22 N -1.77 0.00 0.00 1.70 4.76 -0.55 -4.33 118.16 117.98 1h64 n LYS 22 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1h64 n LYS 22 Cb 0.58 -0.52 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1h64 n LYS 22 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1h64 n LYS 23 N -0.13 0.00 -1.20 1.97 4.01 -1.26 -4.99 118.16 116.56 1h64 n LYS 23 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.57 1h64 n LYS 23 Cb 0.00 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 34.69 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 0.00 4.77 3.60 0.72 0.00 -1.26 -4.87 105.19 108.15 1h64 n GLY 24 Ca 0.00 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.37 3.23 0.14 1.61 2.19 -1.26 -3.84 117.98 116.69 1h64 s PHE 25 Ca 0.56 0.02 -0.09 0.00 0.33 0.00 0.00 56.93 57.75 1h64 s PHE 25 Cb 0.47 -2.20 -0.00 0.00 -1.31 0.00 0.00 43.02 39.98 1h64 s PHE 25 CO 0.08 -0.01 0.26 -1.83 1.83 0.00 0.00 175.22 175.55 1h64 s GLU 26 N 0.96 1.06 0.05 10.12 -1.05 -0.81 -0.82 118.70 128.20 1h64 s GLU 26 Ca 0.05 -1.09 0.07 0.00 -0.15 0.00 0.00 54.97 53.85 1h64 s GLU 26 Cb -0.14 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.90 1h64 s GLU 26 CO 0.03 -0.37 -0.20 -0.06 0.95 0.00 0.00 175.26 175.61 1h64 s PHE 27 N -3.93 1.71 0.00 4.83 0.40 -0.22 0.50 117.98 121.28 1h64 s PHE 27 Ca 0.13 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1h64 s PHE 27 Cb 0.04 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 1h64 s PHE 27 CO -0.04 0.09 -0.09 0.50 0.70 0.00 0.00 175.22 176.38 1h64 s ARG 28 N -1.24 0.72 0.00 0.44 3.52 -0.41 -0.09 118.95 121.89 1h64 s ARG 28 Ca 0.06 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1h64 s ARG 28 Cb -0.09 -0.68 0.00 0.00 -1.56 0.00 0.00 34.95 32.62 1h64 s ARG 28 CO 0.02 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 1h64 n GLY 29 N 2.61 -1.39 3.63 8.12 0.00 -0.87 -0.35 105.19 116.94 1h64 n GLY 29 Ca -0.15 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.22 4.12 -0.15 1.61 3.52 -0.68 -0.87 118.95 125.28 1h64 s ARG 30 Ca 0.00 0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 55.83 1h64 s ARG 30 Cb 0.00 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1h64 s ARG 30 CO 0.00 -0.39 1.44 -1.17 -0.81 0.00 0.00 175.30 174.38 1h64 s LEU 31 N 2.42 4.16 0.00 -0.88 2.96 -0.31 -0.86 118.68 126.16 1h64 s LEU 31 Ca 0.26 1.81 0.05 0.00 -0.22 0.00 0.00 54.13 56.03 1h64 s LEU 31 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1h64 s LEU 31 CO 0.09 -0.91 0.26 2.30 -1.32 0.00 0.00 176.35 176.76 1h64 n ILE 32 N 5.63 0.00 -3.55 6.68 -5.35 -0.51 0.16 119.36 122.41 1h64 n ILE 32 Ca 0.16 -0.41 -0.06 0.00 -0.27 0.00 0.00 62.75 62.17 1h64 n ILE 32 Cb 0.44 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 39.34 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 -1.29 -0.37 0.21 3.28 0.00 -1.20 -4.91 107.32 103.04 1h64 s GLY 33 Ca 0.02 1.32 -0.23 0.00 0.00 0.00 0.00 44.72 45.83 1h64 s GLY 33 CO 0.17 0.44 0.79 -2.52 0.00 0.00 0.00 173.10 171.97 1h64 s TYR 34 N -2.75 -0.22 0.39 1.90 -0.85 -1.26 -0.70 117.35 113.86 1h64 s TYR 34 Ca 0.07 -0.14 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 1h64 s TYR 34 Cb -0.01 0.66 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 1h64 s TYR 34 CO -0.07 -1.03 0.18 -0.40 -1.52 0.00 0.00 175.55 172.71 1h64 n ASP 35 N -0.44 0.82 0.23 -0.18 5.68 -0.83 -4.99 116.55 116.84 1h64 n ASP 35 Ca -0.06 -3.19 0.16 0.00 -0.50 0.00 0.00 54.79 51.20 1h64 n ASP 35 Cb 0.60 1.17 0.74 0.00 -1.14 0.00 0.00 41.12 42.50 1h64 n ASP 35 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1h64 h ILE 36 N 1.76 0.00 -0.01 2.12 6.09 -2.03 -1.69 117.51 123.75 1h64 h ILE 36 Ca -0.30 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1h64 h ILE 36 Cb 1.22 1.01 0.00 0.00 0.47 0.00 0.00 36.82 39.52 1h64 h ILE 36 CO 0.47 0.00 -0.01 1.41 -3.07 0.00 0.00 178.15 176.95 1h64 n HIS 37 N -2.67 0.00 -1.76 2.19 8.25 -1.26 -4.90 115.22 115.07 1h64 n HIS 37 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1h64 n HIS 37 Cb 0.17 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.07 -1.03 -4.79 2.41 7.99 -0.63 -4.37 117.00 116.51 1h64 n LEU 38 Ca 0.20 0.08 -0.36 0.00 -0.01 0.00 0.00 56.01 55.92 1h64 n LEU 38 Cb 0.31 -1.43 -0.05 0.00 -0.11 0.00 0.00 43.42 42.14 1h64 n LEU 38 CO 0.17 -0.23 0.69 0.20 -1.51 0.00 0.00 177.39 176.71 1h64 s ASN 39 N -2.76 7.01 0.18 -1.43 0.01 -1.26 -3.27 114.94 113.42 1h64 s ASN 39 Ca 0.00 1.91 0.02 0.00 -0.71 0.00 0.00 52.86 54.08 1h64 s ASN 39 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1h64 s ASN 39 CO 0.00 -0.31 0.01 0.68 -1.51 0.00 0.00 177.10 175.96 1h64 s VAL 40 N -1.72 0.70 -0.08 1.60 -7.23 -0.21 -1.95 120.40 111.50 1h64 s VAL 40 Ca 0.56 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1h64 s VAL 40 Cb -0.19 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1h64 s VAL 40 CO 0.24 -0.44 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.75 1h64 s VAL 41 N -3.64 1.34 0.06 1.32 1.01 0.12 -0.62 120.40 119.99 1h64 s VAL 41 Ca 0.25 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.74 1h64 s VAL 41 Cb 0.06 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1h64 s VAL 41 CO 0.05 0.40 -0.26 -0.76 0.00 0.00 0.00 175.10 174.53 1h64 s LEU 42 N 0.68 2.22 0.09 3.92 1.43 0.04 -1.42 118.68 125.65 1h64 s LEU 42 Ca -0.14 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.41 1h64 s LEU 42 Cb -0.16 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1h64 s LEU 42 CO 0.04 0.24 -0.08 0.00 0.23 0.00 0.00 176.35 176.78 1h64 s ALA 43 N -0.87 3.02 -1.29 4.21 0.00 -0.04 -0.93 121.76 125.87 1h64 s ALA 43 Ca 0.12 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 1h64 s ALA 43 Cb -0.10 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.06 1h64 s ALA 43 CO 0.03 0.65 0.54 -3.47 0.00 0.00 0.00 175.76 173.51 1h64 n ASP 44 N 0.74 -2.78 -4.98 0.00 2.03 0.13 -1.68 116.55 110.02 1h64 n ASP 44 Ca -0.13 -1.16 -0.20 0.00 0.52 0.00 0.00 54.79 53.83 1h64 n ASP 44 Cb 0.52 -2.44 0.01 0.00 -0.72 0.00 0.00 41.12 38.50 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h64 s ALA 45 N -3.75 4.14 -0.01 -1.67 0.00 -0.18 -4.44 121.76 115.85 1h64 s ALA 45 Ca 0.30 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1h64 s ALA 45 Cb -0.14 -1.84 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 1h64 s ALA 45 CO 0.93 -0.29 0.05 -1.83 0.00 0.00 0.00 175.76 174.61 1h64 s GLU 46 N -4.40 0.17 -0.18 0.00 -1.05 0.53 -1.33 118.70 112.43 1h64 s GLU 46 Ca 0.50 -0.14 -0.15 0.00 -0.15 0.00 0.00 54.97 55.04 1h64 s GLU 46 Cb -0.10 0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.62 1h64 s GLU 46 CO 0.34 -0.03 0.34 1.41 0.95 0.00 0.00 175.26 178.28 1h64 s MET 47 N -0.48 4.22 -0.15 -4.83 -2.45 0.42 -1.29 119.30 114.73 1h64 s MET 47 Ca -0.05 0.14 -0.02 0.00 -1.25 0.00 0.00 55.69 54.51 1h64 s MET 47 Cb -0.03 -3.48 -0.02 0.00 1.25 0.00 0.00 34.83 32.54 1h64 s MET 47 CO 0.00 0.10 -0.09 0.42 1.05 0.00 0.00 175.02 176.50 1h64 s ILE 48 N 0.89 3.37 -0.22 10.11 1.01 0.18 -0.67 121.20 135.87 1h64 s ILE 48 Ca 0.18 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1h64 s ILE 48 Cb -0.14 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.93 1h64 s ILE 48 CO 0.06 0.50 -0.07 -1.58 0.00 0.00 0.00 174.94 173.85 1h64 s GLN 49 N 0.56 1.76 -1.31 2.79 0.74 0.20 -1.92 119.66 122.48 1h64 s GLN 49 Ca -0.06 -0.90 -0.06 0.00 0.05 0.00 0.00 55.36 54.39 1h64 s GLN 49 Cb -0.15 -2.48 0.01 0.00 1.10 0.00 0.00 33.01 31.49 1h64 s GLN 49 CO 0.03 -0.52 1.09 -0.25 -0.55 0.00 0.00 175.29 175.09 1h64 n ASP 50 N 4.69 -4.59 -1.67 6.67 10.43 -1.25 -2.38 116.55 128.45 1h64 n ASP 50 Ca -0.13 -0.59 -0.14 0.00 2.57 0.00 0.00 54.79 56.50 1h64 n ASP 50 Cb 0.45 -4.97 0.00 0.00 1.84 0.00 0.00 41.12 38.44 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1h64 n GLY 51 N -1.67 -0.17 2.81 0.44 0.00 -1.26 -5.01 105.19 100.32 1h64 n GLY 51 Ca -0.10 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.83 0.00 -0.06 1.61 2.12 -1.00 -5.12 118.70 111.42 1h64 s GLU 52 Ca 0.05 0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 1h64 s GLU 52 Cb -0.02 -0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.06 1h64 s GLU 52 CO 0.06 -0.19 1.50 0.08 -0.54 0.00 0.00 175.26 176.17 1h64 s VAL 53 N 1.31 3.75 -0.52 3.70 1.01 -1.26 -0.63 120.40 127.75 1h64 s VAL 53 Ca -0.07 0.98 0.11 0.00 0.00 0.00 0.00 61.98 63.00 1h64 s VAL 53 Cb -0.12 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1h64 s VAL 53 CO -0.04 -0.06 0.46 1.33 0.00 0.00 0.00 175.10 176.79 1h64 n VAL 54 N 5.20 0.00 -3.56 2.92 0.24 0.15 -4.95 118.33 118.33 1h64 n VAL 54 Ca 0.15 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.34 62.12 1h64 n VAL 54 Cb 0.43 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.77 1h64 n VAL 54 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1h64 s LYS 55 N -1.98 0.55 0.11 7.34 2.20 -1.22 -4.96 119.74 121.78 1h64 s LYS 55 Ca 0.04 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.66 1h64 s LYS 55 Cb 0.08 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1h64 s LYS 55 CO 0.43 -0.21 -0.18 1.03 -0.36 0.00 0.00 175.35 176.06 1h64 s ARG 56 N -2.01 1.06 -0.00 4.03 0.52 -1.26 -0.43 118.95 120.85 1h64 s ARG 56 Ca 0.04 -1.17 -0.01 0.00 -0.52 0.00 0.00 55.73 54.07 1h64 s ARG 56 Cb -0.01 -1.15 -0.00 0.00 0.52 0.00 0.00 34.95 34.31 1h64 s ARG 56 CO -0.04 0.25 0.02 0.71 0.02 0.00 0.00 175.30 176.26 1h64 s TYR 57 N -1.53 0.05 0.10 -0.53 1.51 -0.44 -4.98 117.35 111.54 1h64 s TYR 57 Ca 0.06 -0.11 -0.16 0.00 -1.01 0.00 0.00 57.07 55.86 1h64 s TYR 57 Cb -0.08 -0.05 -0.06 0.00 -0.11 0.00 0.00 41.96 41.66 1h64 s TYR 57 CO 0.04 -0.08 1.49 0.78 -1.11 0.00 0.00 175.55 176.68 1h64 h GLY 58 N 5.61 0.66 -5.08 0.71 0.00 -1.92 -0.45 103.07 102.60 1h64 h GLY 58 Ca -0.27 -0.55 -0.17 0.00 0.00 0.00 0.00 47.33 46.34 1h64 h GLY 58 CO 0.47 0.50 -0.57 0.54 0.00 0.00 0.00 176.54 177.48 1h64 s LYS 59 N -4.75 0.31 -0.20 4.80 1.02 -1.26 0.22 119.74 119.89 1h64 s LYS 59 Ca -0.13 -0.22 -0.15 0.00 0.02 0.00 0.00 55.97 55.50 1h64 s LYS 59 Cb 0.09 0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.58 1h64 s LYS 59 CO 0.79 -0.06 0.51 -1.50 -0.92 0.00 0.00 175.35 174.16 1h64 s ILE 60 N -0.82 -0.01 -0.25 2.17 2.07 -0.10 -4.98 121.20 119.27 1h64 s ILE 60 Ca -0.09 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.08 1h64 s ILE 60 Cb -0.05 -0.72 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 1h64 s ILE 60 CO 0.01 0.01 0.16 -0.69 -1.91 0.00 0.00 174.94 172.52 1h64 s VAL 61 N 0.87 5.25 -0.18 4.00 1.01 -1.26 -0.78 120.40 129.31 1h64 s VAL 61 Ca -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1h64 s VAL 61 Cb -0.05 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1h64 s VAL 61 CO -0.07 0.31 -0.09 -0.63 0.00 0.00 0.00 175.10 174.62 1h64 s ILE 62 N 1.34 3.17 0.03 2.22 1.01 0.21 -4.97 121.20 124.22 1h64 s ILE 62 Ca 0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1h64 s ILE 62 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1h64 s ILE 62 CO 0.07 0.48 1.21 -0.13 0.00 0.00 0.00 174.94 176.56 1h64 s ARG 63 N 0.94 4.41 0.58 2.79 0.52 -1.26 -1.04 118.95 125.88 1h64 s ARG 63 Ca -0.02 1.76 0.27 0.00 -0.52 0.00 0.00 55.73 57.22 1h64 s ARG 63 Cb -0.15 -3.41 1.67 0.00 0.52 0.00 0.00 34.95 33.58 1h64 s ARG 63 CO -0.00 -0.32 2.18 0.78 0.02 0.00 0.00 175.30 177.97 1h64 h GLY 64 N 7.20 0.00 1.90 -3.53 0.00 -1.75 -2.89 103.07 104.00 1h64 h GLY 64 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1h64 h GLY 64 CO 0.83 0.00 0.05 -1.80 0.00 0.00 0.00 176.54 175.62 1h64 h ASP 65 N 0.00 0.00 -0.30 0.19 1.82 -1.87 -1.67 116.42 114.58 1h64 h ASP 65 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1h64 h ASP 65 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1h64 h ASP 65 CO -0.00 0.00 0.00 0.59 -1.61 0.00 0.00 179.24 178.22 1h64 n ASN 66 N -3.12 2.79 -4.71 2.28 3.02 -1.09 -4.99 115.26 109.44 1h64 n ASN 66 Ca -0.03 -1.91 -0.40 0.00 -0.03 0.00 0.00 54.58 52.21 1h64 n ASN 66 Cb 0.12 -0.20 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.99 5.03 -0.11 2.41 1.01 -0.63 -1.48 120.40 125.63 1h64 s VAL 67 Ca 0.22 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 1h64 s VAL 67 Cb 0.12 -4.05 -0.27 0.00 0.00 0.00 0.00 36.38 32.19 1h64 s VAL 67 CO 0.16 0.23 0.63 0.25 0.00 0.00 0.00 175.10 176.36 1h64 h LEU 68 N 6.94 0.26 -7.63 3.92 5.85 -0.28 -3.45 115.31 120.92 1h64 h LEU 68 Ca -0.40 -0.85 0.12 0.00 0.84 0.00 0.00 57.88 57.59 1h64 h LEU 68 Cb 1.19 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 1h64 h LEU 68 CO 0.76 1.41 0.38 0.00 -0.34 0.00 0.00 178.44 180.66 1h64 s ALA 69 N -2.39 -1.53 -0.01 1.25 0.00 -0.95 -5.01 121.76 113.10 1h64 s ALA 69 Ca -0.20 0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1h64 s ALA 69 Cb 0.02 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1h64 s ALA 69 CO 0.74 -0.98 -0.00 0.42 0.00 0.00 0.00 175.76 175.94 1h64 s ILE 70 N -3.51 0.11 -0.07 0.00 1.01 -1.26 -0.64 121.20 116.84 1h64 s ILE 70 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 1h64 s ILE 70 Cb -0.03 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.31 1h64 s ILE 70 CO 0.01 0.08 -0.03 -0.55 0.00 0.00 0.00 174.94 174.45 1h64 s SER 71 N 0.52 1.50 -0.18 3.58 0.15 -0.17 -4.97 113.70 114.13 1h64 s SER 71 Ca -0.05 -0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.16 1h64 s SER 71 Cb -0.07 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 1h64 s SER 71 CO -0.01 -0.13 1.45 -2.84 1.20 0.00 0.00 173.24 172.92 1h64 s PRO 72 N 1.54 4.04 0.00 5.44 0.02 -1.26 -1.03 135.00 143.74 1h64 s PRO 72 Ca -0.01 1.70 0.10 0.00 0.02 0.00 0.00 61.00 62.81 1h64 s PRO 72 Cb -0.13 -3.91 0.62 0.00 0.02 0.00 0.00 34.50 31.10 1h64 s PRO 72 CO -0.04 -0.98 1.06 0.25 -0.33 0.00 0.00 177.00 176.96