#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 3.83 0.20 3.49 3.52 -1.26 -4.76 118.95 123.97 1h64 s ARG 4 Ca 0.00 1.09 -0.20 0.00 -0.13 0.00 0.00 55.73 56.49 1h64 s ARG 4 Cb 0.00 -2.11 0.15 0.00 -1.56 0.00 0.00 34.95 31.43 1h64 s ARG 4 CO 0.00 -0.37 1.49 -2.30 -0.81 0.00 0.00 175.30 173.30 1h64 n PRO 5 N -1.46 -0.28 0.20 5.12 -0.02 -1.26 0.47 135.00 137.77 1h64 n PRO 5 Ca 0.07 1.47 0.06 0.00 -2.02 0.00 0.00 63.50 63.09 1h64 n PRO 5 Cb 0.54 -2.18 0.56 0.00 -0.02 0.00 0.00 33.50 32.40 1h64 n PRO 5 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1h64 h LEU 6 N 0.00 0.10 -0.26 2.45 -0.00 -2.00 -2.40 115.31 113.20 1h64 h LEU 6 Ca 0.29 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.11 1h64 h LEU 6 Cb 0.53 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1h64 h LEU 6 CO -0.94 0.12 -0.05 0.44 -0.00 0.00 0.00 178.44 178.00 1h64 h ASP 7 N 0.11 0.50 -0.80 -0.43 3.32 -0.33 -1.00 116.42 117.78 1h64 h ASP 7 Ca 0.03 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 1h64 h ASP 7 Cb 0.07 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1h64 h ASP 7 CO 0.00 0.74 0.37 0.58 -1.72 0.00 0.00 179.24 179.21 1h64 h VAL 8 N 0.25 1.25 -0.34 -1.35 2.07 -0.95 -1.75 116.25 115.43 1h64 h VAL 8 Ca 0.07 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1h64 h VAL 8 Cb 0.52 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1h64 h VAL 8 CO 0.02 0.31 0.03 0.40 0.02 0.00 0.00 177.57 178.36 1h64 h ILE 9 N 1.16 1.25 -0.73 4.57 1.08 -1.33 -2.75 117.51 120.75 1h64 h ILE 9 Ca 0.27 -0.90 0.03 0.00 -0.39 0.00 0.00 64.86 63.88 1h64 h ILE 9 Cb 0.15 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 1h64 h ILE 9 CO -0.03 0.30 0.46 -0.74 -0.69 0.00 0.00 178.15 177.45 1h64 h HIS 10 N 0.39 0.86 0.00 1.37 2.76 -0.85 -2.01 115.15 117.67 1h64 h HIS 10 Ca 0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1h64 h HIS 10 Cb 0.40 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1h64 h HIS 10 CO 0.03 0.50 0.00 0.54 -1.30 0.00 0.00 177.93 177.70 1h64 n ARG 11 N -4.64 0.08 -0.01 5.26 1.74 -0.69 -2.17 116.66 116.23 1h64 n ARG 11 Ca 0.08 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.61 1h64 n ARG 11 Cb 0.08 -1.66 0.33 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.81 2.22 -4.69 0.55 7.64 -0.76 -4.89 113.62 111.89 1h64 n SER 12 Ca 0.03 -1.74 -0.40 0.00 1.01 0.00 0.00 58.87 57.76 1h64 n SER 12 Cb 0.19 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 4.17 0.00 -3.43 4.77 -0.92 -0.53 117.00 121.79 1h64 n LEU 13 Ca 0.17 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1h64 n LEU 13 Cb 0.47 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1h64 n LEU 13 CO 0.16 -0.82 0.00 0.47 -1.33 0.00 0.00 177.39 175.87 1h64 n ASP 14 N -0.09 0.00 -4.80 -1.43 10.43 0.17 -4.96 116.55 115.86 1h64 n ASP 14 Ca 0.08 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.22 1h64 n ASP 14 Cb 0.41 -0.97 -0.05 0.00 1.84 0.00 0.00 41.12 42.35 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 -0.26 2.58 0.13 -1.24 1.02 0.31 -4.81 119.74 117.47 1h64 s LYS 15 Ca 0.00 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1h64 s LYS 15 Cb 0.00 -2.35 -0.07 0.00 -0.52 0.00 0.00 37.83 34.89 1h64 s LYS 15 CO 0.00 0.10 1.09 0.34 -0.92 0.00 0.00 175.35 175.96 1h64 s ASP 16 N -3.93 7.28 0.04 2.83 2.15 -1.26 -0.55 116.67 123.23 1h64 s ASP 16 Ca 0.39 2.00 -0.01 0.00 0.43 0.00 0.00 52.55 55.36 1h64 s ASP 16 Cb -0.04 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1h64 s ASP 16 CO 0.25 -0.25 -0.01 0.68 -0.17 0.00 0.00 175.17 175.67 1h64 s VAL 17 N 0.14 0.18 -0.24 1.11 -7.23 0.77 -1.28 120.40 113.85 1h64 s VAL 17 Ca 0.51 -1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 1h64 s VAL 17 Cb -0.28 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1h64 s VAL 17 CO 0.32 -0.81 0.00 -0.22 -0.31 0.00 0.00 175.10 174.09 1h64 s LEU 18 N -2.44 3.17 -0.37 1.32 2.96 0.09 -1.49 118.68 121.92 1h64 s LEU 18 Ca -0.00 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 1h64 s LEU 18 Cb 0.02 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.95 1h64 s LEU 18 CO -0.07 -0.05 0.18 -0.69 -1.32 0.00 0.00 176.35 174.40 1h64 s VAL 19 N 1.52 4.21 -0.23 1.68 1.01 0.15 -0.72 120.40 128.03 1h64 s VAL 19 Ca 0.05 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1h64 s VAL 19 Cb -0.15 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1h64 s VAL 19 CO -0.01 -0.28 0.51 -0.63 0.00 0.00 0.00 175.10 174.70 1h64 s ILE 20 N 1.47 5.10 -1.07 2.22 1.01 0.27 -0.55 121.20 129.65 1h64 s ILE 20 Ca 0.01 0.90 -0.10 0.00 0.00 0.00 0.00 60.65 61.46 1h64 s ILE 20 Cb -0.20 -3.83 0.26 0.00 0.01 0.00 0.00 42.46 38.70 1h64 s ILE 20 CO 0.04 0.14 1.08 -0.76 0.00 0.00 0.00 174.94 175.44 1h64 s LEU 21 N 1.89 6.34 0.00 2.97 1.02 0.05 -0.44 118.68 130.51 1h64 s LEU 21 Ca 0.22 -3.41 0.00 0.00 0.02 0.00 0.00 54.13 50.96 1h64 s LEU 21 Cb -0.15 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.83 1h64 s LEU 21 CO 0.09 -0.36 0.00 0.29 0.02 0.00 0.00 176.35 176.39 1h64 n LYS 22 N 3.08 0.00 0.00 1.70 4.76 -1.26 -4.43 118.16 122.01 1h64 n LYS 22 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1h64 n LYS 22 Cb 0.41 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1h64 n LYS 22 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1h64 n LYS 23 N 0.00 0.00 -0.56 1.97 4.81 -1.26 -4.98 118.16 118.14 1h64 n LYS 23 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1h64 n LYS 23 Cb 0.00 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.20 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h64 n GLY 24 N -1.14 4.14 2.95 3.14 0.00 -1.26 -4.99 105.19 108.04 1h64 n GLY 24 Ca 0.00 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.44 1.50 0.20 1.61 5.36 -1.26 -2.99 117.98 119.96 1h64 s PHE 25 Ca 0.33 -0.69 -0.07 0.00 -0.96 0.00 0.00 56.93 55.54 1h64 s PHE 25 Cb 0.32 -1.19 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 1h64 s PHE 25 CO -0.05 -0.43 0.28 -1.21 -1.46 0.00 0.00 175.22 172.35 1h64 s GLU 26 N 1.32 1.28 -0.01 10.12 2.02 -0.50 -0.77 118.70 132.16 1h64 s GLU 26 Ca -0.02 -1.36 0.06 0.00 0.02 0.00 0.00 54.97 53.68 1h64 s GLU 26 Cb -0.14 0.37 -0.02 0.00 0.10 0.00 0.00 34.13 34.44 1h64 s GLU 26 CO -0.04 -0.47 -0.20 -0.06 0.02 0.00 0.00 175.26 174.50 1h64 s PHE 27 N -4.05 1.82 -0.03 1.61 0.40 0.28 -0.11 117.98 117.90 1h64 s PHE 27 Ca 0.26 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 1h64 s PHE 27 Cb 0.03 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.40 1h64 s PHE 27 CO 0.07 -0.03 -0.13 0.50 0.70 0.00 0.00 175.22 176.33 1h64 s ARG 28 N -0.50 1.38 0.00 0.44 3.52 -0.72 0.31 118.95 123.38 1h64 s ARG 28 Ca 0.08 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1h64 s ARG 28 Cb -0.08 -1.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.07 1h64 s ARG 28 CO -0.01 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.08 1h64 n GLY 29 N 3.19 -1.17 3.63 8.12 0.00 -0.55 -1.81 105.19 116.60 1h64 n GLY 29 Ca -0.18 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.24 4.11 -0.17 1.61 3.52 -0.91 -0.16 118.95 125.70 1h64 s ARG 30 Ca 0.00 0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 55.77 1h64 s ARG 30 Cb 0.00 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1h64 s ARG 30 CO 0.00 -0.37 1.44 -1.17 -0.81 0.00 0.00 175.30 174.39 1h64 s LEU 31 N 2.35 4.10 0.00 -0.88 2.96 0.29 -0.85 118.68 126.65 1h64 s LEU 31 Ca 0.24 1.73 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 1h64 s LEU 31 Cb -0.16 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 1h64 s LEU 31 CO 0.09 -0.96 0.31 2.30 -1.32 0.00 0.00 176.35 176.76 1h64 n ILE 32 N 5.76 0.00 -3.69 6.68 -5.35 -0.63 0.42 119.36 122.56 1h64 n ILE 32 Ca 0.16 -0.46 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 1h64 n ILE 32 Cb 0.45 1.03 -0.01 0.00 -1.74 0.00 0.00 39.64 39.36 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 -0.86 -0.31 -0.09 3.28 0.00 -1.18 -4.93 107.32 103.24 1h64 s GLY 33 Ca 0.02 0.43 -0.33 0.00 0.00 0.00 0.00 44.72 44.84 1h64 s GLY 33 CO 0.08 0.09 1.32 -2.52 0.00 0.00 0.00 173.10 172.07 1h64 s TYR 34 N -3.01 -0.05 0.30 1.90 -0.85 -1.26 -1.15 117.35 113.24 1h64 s TYR 34 Ca 0.12 -0.02 0.03 0.00 -0.52 0.00 0.00 57.07 56.68 1h64 s TYR 34 Cb 0.00 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1h64 s TYR 34 CO -0.01 -0.18 0.16 0.16 -1.52 0.00 0.00 175.55 174.16 1h64 s ASP 35 N -2.75 1.50 0.44 -0.18 1.47 -0.76 -4.98 116.67 111.41 1h64 s ASP 35 Ca 0.13 -1.55 0.29 0.00 1.18 0.00 0.00 52.55 52.60 1h64 s ASP 35 Cb 0.04 0.38 1.56 0.00 -0.34 0.00 0.00 42.92 44.55 1h64 s ASP 35 CO -0.04 -0.88 1.87 -0.29 0.68 0.00 0.00 175.17 176.51 1h64 h ILE 36 N 2.23 0.00 -0.01 2.11 6.09 -2.03 0.71 117.51 126.61 1h64 h ILE 36 Ca -0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1h64 h ILE 36 Cb 1.25 0.64 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1h64 h ILE 36 CO 0.52 0.00 -0.07 1.41 -3.07 0.00 0.00 178.15 176.94 1h64 n HIS 37 N -2.52 0.00 -1.32 2.19 8.25 -1.26 -4.89 115.22 115.66 1h64 n HIS 37 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1h64 n HIS 37 Cb 0.08 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.57 -0.56 -4.77 2.41 4.77 0.24 -4.44 117.00 114.09 1h64 n LEU 38 Ca 0.17 0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.89 1h64 n LEU 38 Cb 0.28 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 1h64 n LEU 38 CO 0.21 -0.28 0.78 0.20 -1.33 0.00 0.00 177.39 176.97 1h64 s ASN 39 N -2.91 6.98 0.14 -1.43 0.02 -1.26 -3.68 114.94 112.80 1h64 s ASN 39 Ca 0.00 2.21 0.04 0.00 -1.02 0.00 0.00 52.86 54.09 1h64 s ASN 39 Cb 0.00 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.62 1h64 s ASN 39 CO 0.00 -0.35 -0.10 0.68 0.02 0.00 0.00 177.10 177.35 1h64 s VAL 40 N -1.36 1.13 -0.10 1.60 -7.23 -0.57 -1.84 120.40 112.03 1h64 s VAL 40 Ca 0.51 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 1h64 s VAL 40 Cb -0.29 -1.77 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 1h64 s VAL 40 CO 0.36 -0.72 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.51 1h64 s VAL 41 N -3.19 2.11 0.06 1.32 1.01 -0.30 -0.99 120.40 120.41 1h64 s VAL 41 Ca 0.15 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1h64 s VAL 41 Cb 0.02 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1h64 s VAL 41 CO 0.00 0.56 -0.26 -0.76 0.00 0.00 0.00 175.10 174.65 1h64 s LEU 42 N 0.35 2.19 0.07 3.92 1.43 -0.44 -1.60 118.68 124.60 1h64 s LEU 42 Ca -0.18 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.39 1h64 s LEU 42 Cb -0.18 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1h64 s LEU 42 CO 0.09 0.23 -0.16 0.00 0.23 0.00 0.00 176.35 176.73 1h64 s ALA 43 N -0.84 2.69 -1.18 4.21 0.00 -0.03 -1.56 121.76 125.05 1h64 s ALA 43 Ca 0.11 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 1h64 s ALA 43 Cb -0.10 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 1h64 s ALA 43 CO 0.03 0.59 0.74 -0.25 0.00 0.00 0.00 175.76 176.87 1h64 n ASP 44 N 1.19 -4.60 -4.97 0.00 8.00 0.11 -2.15 116.55 114.13 1h64 n ASP 44 Ca -0.16 -1.04 -0.21 0.00 0.71 0.00 0.00 54.79 54.10 1h64 n ASP 44 Cb 0.52 -3.22 0.01 0.00 -0.02 0.00 0.00 41.12 38.42 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 -3.53 3.98 -0.11 2.24 0.00 0.83 -4.42 121.76 120.76 1h64 s ALA 45 Ca 0.42 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1h64 s ALA 45 Cb -0.16 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 21.03 1h64 s ALA 45 CO 0.87 -0.39 0.27 -1.83 0.00 0.00 0.00 175.76 174.68 1h64 s GLU 46 N -4.51 0.28 -0.10 0.00 -1.05 -0.75 -0.60 118.70 111.98 1h64 s GLU 46 Ca 0.51 0.45 -0.23 0.00 -0.15 0.00 0.00 54.97 55.55 1h64 s GLU 46 Cb -0.10 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.61 1h64 s GLU 46 CO 0.36 -0.09 0.67 1.41 0.95 0.00 0.00 175.26 178.56 1h64 s MET 47 N 0.60 4.39 -0.14 -4.83 -2.45 -0.10 -1.75 119.30 115.01 1h64 s MET 47 Ca -0.04 0.80 0.01 0.00 -1.25 0.00 0.00 55.69 55.21 1h64 s MET 47 Cb -0.05 -3.47 -0.00 0.00 1.25 0.00 0.00 34.83 32.56 1h64 s MET 47 CO -0.03 0.01 -0.16 0.42 1.05 0.00 0.00 175.02 176.31 1h64 s ILE 48 N 1.00 2.63 -0.13 10.11 1.01 0.84 -0.94 121.20 135.73 1h64 s ILE 48 Ca 0.35 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1h64 s ILE 48 Cb -0.17 -2.09 0.04 0.00 0.01 0.00 0.00 42.46 40.24 1h64 s ILE 48 CO 0.16 0.52 -0.03 -1.58 0.00 0.00 0.00 174.94 174.01 1h64 s GLN 49 N 0.65 1.09 -1.22 2.79 0.74 -0.58 -1.40 119.66 121.73 1h64 s GLN 49 Ca -0.08 -0.24 -0.07 0.00 0.05 0.00 0.00 55.36 55.02 1h64 s GLN 49 Cb -0.16 -1.60 0.01 0.00 1.10 0.00 0.00 33.01 32.36 1h64 s GLN 49 CO 0.02 -0.38 0.89 -3.47 -0.55 0.00 0.00 175.29 171.80 1h64 n ASP 50 N 5.00 -5.73 0.00 6.67 4.64 -1.16 -2.06 116.55 123.91 1h64 n ASP 50 Ca -0.10 -0.40 0.00 0.00 -1.38 0.00 0.00 54.79 52.90 1h64 n ASP 50 Cb 0.49 -4.40 0.00 0.00 -1.04 0.00 0.00 41.12 36.17 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1h64 n GLY 51 N -1.70 0.47 3.44 0.27 0.00 -1.26 -4.99 105.19 101.42 1h64 n GLY 51 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.57 3.37 0.05 1.61 0.41 -0.88 -5.09 118.70 117.61 1h64 s GLU 52 Ca 0.00 -0.62 -0.31 0.00 -0.41 0.00 0.00 54.97 53.64 1h64 s GLU 52 Cb 0.00 -2.71 -0.06 0.00 -1.78 0.00 0.00 34.13 29.58 1h64 s GLU 52 CO 0.00 0.29 1.33 0.08 -0.49 0.00 0.00 175.26 176.48 1h64 s VAL 53 N 0.17 3.69 -0.18 2.63 1.01 -1.26 -1.53 120.40 124.93 1h64 s VAL 53 Ca -0.05 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1h64 s VAL 53 Cb -0.15 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1h64 s VAL 53 CO 0.04 0.05 0.18 1.33 0.00 0.00 0.00 175.10 176.70 1h64 n VAL 54 N 4.24 0.00 -3.51 2.92 0.24 -0.12 -4.96 118.33 117.14 1h64 n VAL 54 Ca 0.11 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1h64 n VAL 54 Cb 0.44 0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 33.69 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 -1.55 0.92 0.06 7.34 1.02 -1.24 -4.98 119.74 121.32 1h64 s LYS 55 Ca 0.01 -0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.03 1h64 s LYS 55 Cb 0.03 0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 37.75 1h64 s LYS 55 CO 0.19 -0.34 -0.16 1.03 -0.92 0.00 0.00 175.35 175.14 1h64 s ARG 56 N -2.09 0.99 -0.02 1.68 0.52 -1.26 -0.92 118.95 117.85 1h64 s ARG 56 Ca -0.03 -0.91 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 1h64 s ARG 56 Cb -0.01 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.41 1h64 s ARG 56 CO -0.01 0.25 -0.06 0.71 0.02 0.00 0.00 175.30 176.22 1h64 s TYR 57 N -1.03 0.62 0.11 -0.53 1.51 0.23 -4.96 117.35 113.31 1h64 s TYR 57 Ca 0.02 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 55.80 1h64 s TYR 57 Cb -0.09 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 1h64 s TYR 57 CO 0.02 -0.07 1.50 0.78 -1.11 0.00 0.00 175.55 176.68 1h64 h GLY 58 N 6.39 0.77 -5.42 0.71 0.00 -1.93 0.24 103.07 103.83 1h64 h GLY 58 Ca -0.32 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.18 1h64 h GLY 58 CO 0.49 0.60 -0.42 1.25 0.00 0.00 0.00 176.54 178.46 1h64 s LYS 59 N -4.71 0.29 -0.14 4.80 2.47 -1.26 0.09 119.74 121.28 1h64 s LYS 59 Ca -0.13 0.37 -0.11 0.00 -1.56 0.00 0.00 55.97 54.55 1h64 s LYS 59 Cb 0.09 0.12 0.04 0.00 -1.46 0.00 0.00 37.83 36.63 1h64 s LYS 59 CO 0.81 -0.05 0.36 -1.50 0.16 0.00 0.00 175.35 175.13 1h64 s ILE 60 N 0.25 -0.01 -0.24 5.43 2.07 -0.60 -5.01 121.20 123.09 1h64 s ILE 60 Ca -0.01 0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.19 1h64 s ILE 60 Cb -0.03 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1h64 s ILE 60 CO -0.01 0.02 0.09 -0.69 -1.91 0.00 0.00 174.94 172.44 1h64 s VAL 61 N 0.62 4.66 -0.18 4.00 1.01 -1.26 -1.33 120.40 127.93 1h64 s VAL 61 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1h64 s VAL 61 Cb -0.05 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1h64 s VAL 61 CO -0.04 0.35 -0.06 -0.63 0.00 0.00 0.00 175.10 174.72 1h64 s ILE 62 N 1.29 3.46 0.09 2.22 1.01 -0.17 -4.99 121.20 124.10 1h64 s ILE 62 Ca 0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1h64 s ILE 62 Cb -0.15 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.74 1h64 s ILE 62 CO 0.04 0.47 1.13 -0.13 0.00 0.00 0.00 174.94 176.46 1h64 s ARG 63 N 0.85 4.50 0.50 2.79 0.52 -1.26 -1.51 118.95 125.34 1h64 s ARG 63 Ca -0.02 1.70 0.18 0.00 -0.52 0.00 0.00 55.73 57.07 1h64 s ARG 63 Cb -0.15 -3.34 1.25 0.00 0.52 0.00 0.00 34.95 33.22 1h64 s ARG 63 CO 0.01 -0.12 2.06 0.78 0.02 0.00 0.00 175.30 178.05 1h64 h GLY 64 N 6.29 0.14 1.57 -3.53 0.00 -1.77 -2.88 103.07 102.88 1h64 h GLY 64 Ca -0.42 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1h64 h GLY 64 CO 0.77 0.03 0.20 -1.80 0.00 0.00 0.00 176.54 175.75 1h64 h ASP 65 N 0.11 0.00 -0.20 0.19 3.58 -1.89 -0.76 116.42 117.45 1h64 h ASP 65 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1h64 h ASP 65 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1h64 h ASP 65 CO -0.02 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 176.93 1h64 n ASN 66 N -3.23 2.87 -4.74 2.28 3.02 -1.09 -4.98 115.26 109.39 1h64 n ASN 66 Ca -0.01 -1.85 -0.39 0.00 -0.03 0.00 0.00 54.58 52.30 1h64 n ASN 66 Cb 0.28 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.38 4.91 -0.19 2.41 1.01 -0.29 -4.17 120.40 122.70 1h64 s VAL 67 Ca 0.27 1.40 -0.23 0.00 0.00 0.00 0.00 61.98 63.42 1h64 s VAL 67 Cb 0.17 -4.01 -0.21 0.00 0.00 0.00 0.00 36.38 32.34 1h64 s VAL 67 CO 0.24 0.35 0.32 0.25 0.00 0.00 0.00 175.10 176.26 1h64 h LEU 68 N 6.02 0.01 -7.35 3.92 5.85 -1.07 -3.46 115.31 119.23 1h64 h LEU 68 Ca -0.43 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 57.67 1h64 h LEU 68 Cb 1.20 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.12 1h64 h LEU 68 CO 0.72 1.41 0.13 0.00 -0.34 0.00 0.00 178.44 180.36 1h64 s ALA 69 N -2.34 -1.30 -0.07 1.25 0.00 -1.10 -4.98 121.76 113.22 1h64 s ALA 69 Ca -0.27 0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1h64 s ALA 69 Cb 0.04 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1h64 s ALA 69 CO 0.61 -0.80 -0.08 0.42 0.00 0.00 0.00 175.76 175.92 1h64 s ILE 70 N -3.81 0.87 -0.13 0.00 1.01 -1.26 -0.56 121.20 117.32 1h64 s ILE 70 Ca 0.05 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1h64 s ILE 70 Cb -0.01 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.62 1h64 s ILE 70 CO -0.08 0.31 -0.16 -0.55 0.00 0.00 0.00 174.94 174.47 1h64 s SER 71 N 1.03 2.61 0.05 3.58 0.15 0.10 -4.97 113.70 116.25 1h64 s SER 71 Ca -0.09 -0.47 -0.31 0.00 0.70 0.00 0.00 55.95 55.79 1h64 s SER 71 Cb -0.14 -1.17 -0.05 0.00 -1.71 0.00 0.00 66.02 62.94 1h64 s SER 71 CO -0.00 -0.00 1.21 -2.16 1.20 0.00 0.00 173.24 173.49 1h64 s PRO 72 N 1.15 4.41 0.00 5.44 0.04 -1.26 -0.73 135.00 144.05 1h64 s PRO 72 Ca -0.02 1.78 0.31 0.00 0.04 0.00 0.00 61.00 63.11 1h64 s PRO 72 Cb -0.14 -3.37 1.78 0.00 0.04 0.00 0.00 34.50 32.81 1h64 s PRO 72 CO -0.05 -0.29 2.16 2.41 0.04 0.00 0.00 177.00 181.26