#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub s SER 2 N 0.00 6.25 1.01 1.61 0.01 -1.26 -4.84 113.70 116.47 2cub s SER 2 Ca 0.00 2.71 -0.15 0.00 1.31 0.00 0.00 55.95 59.81 2cub s SER 2 Cb 0.00 -2.64 0.20 0.00 0.21 0.00 0.00 66.02 63.79 2cub s SER 2 CO 0.00 -0.90 1.19 -0.55 0.41 0.00 0.00 173.24 173.39 2cub s SER 3 N -0.68 2.68 0.00 2.44 0.15 -1.26 -4.84 113.70 112.18 2cub s SER 3 Ca 0.57 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2cub s SER 3 Cb -0.39 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 2cub s SER 3 CO 0.50 -3.04 0.00 0.61 1.20 0.00 0.00 173.24 172.51 2cub n GLY 4 N -2.35 2.02 3.52 9.45 0.00 -1.26 -5.09 105.19 111.48 2cub n GLY 4 Ca 0.11 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2cub n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cub s SER 5 N 0.00 6.17 0.84 1.61 0.01 -1.26 -5.00 113.70 116.06 2cub s SER 5 Ca 0.00 -0.66 -0.15 0.00 1.31 0.00 0.00 55.95 56.45 2cub s SER 5 Cb 0.00 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 2cub s SER 5 CO 0.00 -1.69 0.30 -1.54 0.41 0.00 0.00 173.24 170.72 2cub n SER 6 N 8.77 -2.20 0.00 2.44 3.41 -1.26 -3.33 113.62 121.45 2cub n SER 6 Ca 0.01 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2cub n SER 6 Cb 0.48 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2cub n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cub n GLY 7 N 1.83 3.06 3.87 5.00 0.00 -1.26 -5.03 105.19 112.66 2cub n GLY 7 Ca 0.07 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 2cub n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 8 N 0.00 6.58 0.51 1.61 1.01 -1.21 -4.99 116.67 120.17 2cub s ASP 8 Ca 0.00 0.68 0.29 0.00 0.71 0.00 0.00 52.55 54.23 2cub s ASP 8 Cb 0.00 -2.14 1.22 0.00 1.01 0.00 0.00 42.92 43.01 2cub s ASP 8 CO 0.00 0.24 1.94 1.55 0.21 0.00 0.00 175.17 179.11 2cub h PRO 9 N 4.04 0.00 0.00 8.23 0.13 -1.96 -3.47 132.00 138.97 2cub h PRO 9 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2cub h PRO 9 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2cub h PRO 9 CO 0.65 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 2cub n GLY 10 N -0.04 1.11 2.98 1.56 0.00 -1.26 -4.84 105.19 104.71 2cub n GLY 10 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2cub n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cub s GLU 11 N 0.00 0.34 -0.30 1.61 2.12 -1.26 -4.64 118.70 116.57 2cub s GLU 11 Ca 0.00 -0.49 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 2cub s GLU 11 Cb 0.00 -0.11 0.18 0.00 0.26 0.00 0.00 34.13 34.46 2cub s GLU 11 CO 0.00 0.01 0.84 0.50 -0.54 0.00 0.00 175.26 176.08 2cub s ARG 12 N -1.05 0.36 -0.31 4.30 3.52 -1.26 -5.14 118.95 119.38 2cub s ARG 12 Ca -0.09 0.64 -0.07 0.00 -0.13 0.00 0.00 55.73 56.08 2cub s ARG 12 Cb -0.07 0.35 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2cub s ARG 12 CO -0.00 -0.40 0.09 -0.51 -0.81 0.00 0.00 175.30 173.67 2cub s LEU 13 N 2.91 3.99 0.34 -0.88 1.02 -1.26 -5.07 118.68 119.73 2cub s LEU 13 Ca 0.09 -0.79 0.07 0.00 0.02 0.00 0.00 54.13 53.52 2cub s LEU 13 Cb -0.12 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.17 2cub s LEU 13 CO -0.16 -0.23 0.27 -0.72 0.02 0.00 0.00 176.35 175.54 2cub s TYR 14 N 1.49 1.79 -1.86 0.29 -0.85 -1.26 -2.46 117.35 114.48 2cub s TYR 14 Ca 0.02 -1.65 -0.23 0.00 -0.52 0.00 0.00 57.07 54.68 2cub s TYR 14 Cb -0.18 -0.75 0.23 0.00 0.38 0.00 0.00 41.96 41.64 2cub s TYR 14 CO 0.03 -0.84 0.58 -3.47 -1.52 0.00 0.00 175.55 170.33 2cub n ASP 15 N -1.59 -1.74 -0.05 -0.18 2.03 0.62 -4.80 116.55 110.83 2cub n ASP 15 Ca 0.07 -1.24 -0.13 0.00 0.52 0.00 0.00 54.79 54.01 2cub n ASP 15 Cb 0.62 -1.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.36 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2cub h LEU 16 N -0.88 0.36 1.80 -2.67 4.07 -1.55 -3.48 115.31 112.96 2cub h LEU 16 Ca -0.60 -0.49 -0.32 0.00 0.08 0.00 0.00 57.88 56.55 2cub h LEU 16 Cb 1.38 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.02 2cub h LEU 16 CO 0.89 0.78 -0.43 0.59 -1.08 0.00 0.00 178.44 179.19 2cub n ASN 17 N -4.56 -4.89 -4.62 -0.43 5.03 0.45 -4.97 115.26 101.27 2cub n ASN 17 Ca -0.06 -0.08 -0.41 0.00 0.87 0.00 0.00 54.58 54.90 2cub n ASN 17 Cb 0.36 -3.93 -0.05 0.00 -1.02 0.00 0.00 39.78 35.14 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2cub s MET 18 N -4.99 4.06 -0.12 3.52 -1.94 -0.55 -4.74 119.30 114.54 2cub s MET 18 Ca 0.07 0.62 -0.29 0.00 -1.71 0.00 0.00 55.69 54.38 2cub s MET 18 Cb -0.03 -3.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 2cub s MET 18 CO 0.09 -0.53 1.54 -1.25 -0.01 0.00 0.00 175.02 174.86 2cub s PRO 19 N 2.72 4.11 0.41 2.03 0.04 -1.26 -0.15 135.00 142.90 2cub s PRO 19 Ca 0.30 1.93 0.08 0.00 0.04 0.00 0.00 61.00 63.34 2cub s PRO 19 Cb -0.15 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 2cub s PRO 19 CO 0.10 -0.91 0.33 0.00 0.04 0.00 0.00 177.00 176.56 2cub s ALA 20 N 4.16 3.94 -0.17 8.56 0.00 0.13 -2.36 121.76 136.01 2cub s ALA 20 Ca 0.68 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2cub s ALA 20 Cb -0.28 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 21.98 2cub s ALA 20 CO 0.25 -0.20 -0.14 -0.47 0.00 0.00 0.00 175.76 175.21 2cub s TYR 21 N -2.49 2.35 -0.54 0.00 5.04 0.20 -0.87 117.35 121.04 2cub s TYR 21 Ca 0.46 -1.42 -0.27 0.00 -2.44 0.00 0.00 57.07 53.41 2cub s TYR 21 Cb -0.02 -1.66 -0.04 0.00 0.35 0.00 0.00 41.96 40.60 2cub s TYR 21 CO 0.27 -0.72 2.02 0.08 -1.34 0.00 0.00 175.55 175.86 2cub s VAL 22 N 1.43 3.26 0.12 3.14 1.01 0.03 -0.12 120.40 129.26 2cub s VAL 22 Ca 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2cub s VAL 22 Cb -0.14 -3.62 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 2cub s VAL 22 CO -0.10 -0.58 1.28 0.11 0.00 0.00 0.00 175.10 175.81 2cub h LYS 23 N 16.10 0.25 -5.67 2.72 1.57 0.72 -1.51 116.57 130.74 2cub h LYS 23 Ca -0.27 -0.32 -0.49 0.00 -1.87 0.00 0.00 60.65 57.70 2cub h LYS 23 Cb 1.20 0.11 -0.24 0.00 0.08 0.00 0.00 32.23 33.37 2cub h LYS 23 CO 1.18 1.07 -0.81 -0.06 -0.57 0.00 0.00 179.45 180.26 2cub s PHE 24 N -3.00 1.47 -0.16 -1.35 0.08 -0.60 -4.72 117.98 109.71 2cub s PHE 24 Ca -0.03 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 2cub s PHE 24 Cb 0.09 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 2cub s PHE 24 CO 0.85 0.09 1.14 0.54 -0.10 0.00 0.00 175.22 177.74 2cub s ASN 25 N -1.43 7.06 -0.07 1.36 2.20 -1.26 -4.14 114.94 118.65 2cub s ASN 25 Ca 0.03 1.58 0.01 0.00 -0.94 0.00 0.00 52.86 53.54 2cub s ASN 25 Cb -0.09 -2.54 -0.03 0.00 -2.00 0.00 0.00 41.25 36.59 2cub s ASN 25 CO 0.02 -0.66 -0.06 -0.47 -2.94 0.00 0.00 177.10 172.99 2cub s TYR 26 N 2.97 2.95 -0.34 1.54 6.14 0.17 -4.92 117.35 125.86 2cub s TYR 26 Ca 0.50 0.04 -0.06 0.00 0.64 0.00 0.00 57.07 58.19 2cub s TYR 26 Cb -0.19 -1.72 0.04 0.00 0.42 0.00 0.00 41.96 40.51 2cub s TYR 26 CO 0.13 0.34 0.10 -1.64 0.64 0.00 0.00 175.55 175.13 2cub s MET 27 N -0.82 2.61 0.35 4.97 -1.94 -1.26 -2.01 119.30 121.21 2cub s MET 27 Ca 0.12 -1.19 -0.25 0.00 -1.71 0.00 0.00 55.69 52.67 2cub s MET 27 Cb -0.11 -3.45 -0.10 0.00 2.01 0.00 0.00 34.83 33.19 2cub s MET 27 CO 0.01 -0.66 0.98 0.00 -0.01 0.00 0.00 175.02 175.34 2cub s ALA 28 N 1.39 3.17 -0.04 3.03 0.00 -1.26 -4.96 121.76 123.09 2cub s ALA 28 Ca -0.02 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2cub s ALA 28 Cb -0.20 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2cub s ALA 28 CO 0.03 0.06 0.05 0.39 0.00 0.00 0.00 175.76 176.28 2cub n GLU 29 N 0.30 4.09 -5.28 0.00 1.02 -1.26 -4.96 120.64 114.55 2cub n GLU 29 Ca 0.03 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 2cub n GLU 29 Cb 0.50 -0.74 -0.16 0.00 -0.02 0.00 0.00 31.44 31.02 2cub n GLU 29 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2cub s ARG 30 N -1.50 2.24 0.55 3.49 0.52 -1.26 -5.00 118.95 117.99 2cub s ARG 30 Ca 0.00 -0.91 0.30 0.00 -0.52 0.00 0.00 55.73 54.60 2cub s ARG 30 Cb 0.01 -2.09 1.46 0.00 0.52 0.00 0.00 34.95 34.85 2cub s ARG 30 CO 0.06 0.52 1.90 1.05 0.02 0.00 0.00 175.30 178.85 2cub h GLU 31 N 5.62 0.00 0.00 3.54 4.11 -1.99 0.64 114.58 126.50 2cub h GLU 31 Ca -0.40 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.94 2cub h GLU 31 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2cub h GLU 31 CO 0.47 0.00 -0.40 -0.44 0.07 0.00 0.00 179.01 178.71 2cub h ASP 32 N 0.00 0.00 -3.24 3.06 5.19 -1.94 -3.45 116.42 116.04 2cub h ASP 32 Ca 0.34 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 56.23 2cub h ASP 32 Cb 1.46 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.96 2cub h ASP 32 CO -0.00 0.40 -0.13 -1.61 -3.12 0.00 0.00 179.24 174.78 2cub s GLU 33 N -3.61 3.65 0.14 3.56 8.01 0.22 0.07 118.70 130.74 2cub s GLU 33 Ca -0.00 0.04 0.08 0.00 0.01 0.00 0.00 54.97 55.10 2cub s GLU 33 Cb 0.11 -2.64 -0.04 0.00 -4.31 0.00 0.00 34.13 27.25 2cub s GLU 33 CO 0.70 0.21 -0.11 -1.17 0.01 0.00 0.00 175.26 174.89 2cub s LEU 34 N -3.52 2.95 -0.16 1.80 2.96 -1.03 -4.56 118.68 117.12 2cub s LEU 34 Ca 0.44 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 2cub s LEU 34 Cb -0.11 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2cub s LEU 34 CO 0.29 0.15 0.29 -0.55 -1.32 0.00 0.00 176.35 175.21 2cub s SER 35 N -2.44 6.43 -0.08 3.68 0.15 -1.26 -4.36 113.70 115.81 2cub s SER 35 Ca 0.22 0.50 -0.02 0.00 0.70 0.00 0.00 55.95 57.35 2cub s SER 35 Cb -0.10 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2cub s SER 35 CO 0.14 0.11 0.02 -0.76 1.20 0.00 0.00 173.24 173.94 2cub s LEU 36 N 0.44 3.68 -0.20 3.45 1.43 -0.85 -4.93 118.68 121.71 2cub s LEU 36 Ca 0.16 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2cub s LEU 36 Cb -0.13 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2cub s LEU 36 CO 0.04 0.37 -0.09 -0.63 0.23 0.00 0.00 176.35 176.27 2cub s ILE 37 N -0.92 3.06 -0.47 -0.59 1.01 -1.26 0.43 121.20 122.45 2cub s ILE 37 Ca 0.14 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 2cub s ILE 37 Cb -0.11 -2.36 -0.10 0.00 0.01 0.00 0.00 42.46 39.90 2cub s ILE 37 CO 0.03 0.46 2.37 1.17 0.00 0.00 0.00 174.94 178.97 2cub n LYS 38 N 4.56 1.10 0.00 2.79 4.81 -1.26 -1.67 118.16 128.49 2cub n LYS 38 Ca -0.19 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2cub n LYS 38 Cb 0.51 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.62 2cub n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cub n GLY 39 N 6.15 1.80 3.57 3.14 0.00 -0.57 -4.93 105.19 114.34 2cub n GLY 39 Ca 0.40 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 2cub n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cub s THR 40 N -1.91 0.78 0.01 2.61 -4.23 -0.67 -5.00 115.64 107.24 2cub s THR 40 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2cub s THR 40 Cb 0.00 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 2cub s THR 40 CO 0.00 0.00 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.16 2cub s LYS 41 N -3.76 1.30 0.38 3.99 2.20 -1.26 -0.79 119.74 121.80 2cub s LYS 41 Ca 0.21 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 2cub s LYS 41 Cb 0.03 -1.31 -0.05 0.00 -1.51 0.00 0.00 37.83 34.99 2cub s LYS 41 CO 0.12 0.35 0.06 0.14 -0.36 0.00 0.00 175.35 175.66 2cub s VAL 42 N -0.59 1.16 -0.25 4.02 -7.23 -0.05 -4.75 120.40 112.71 2cub s VAL 42 Ca 0.06 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2cub s VAL 42 Cb -0.07 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.28 2cub s VAL 42 CO 0.00 0.00 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.05 2cub s ILE 43 N -3.14 2.29 -0.08 -0.62 -1.09 -0.95 0.17 121.20 117.77 2cub s ILE 43 Ca 0.29 -1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 56.97 2cub s ILE 43 Cb 0.07 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 2cub s ILE 43 CO 0.14 0.08 1.15 -0.69 -1.23 0.00 0.00 174.94 174.39 2cub s VAL 44 N 1.17 4.41 -0.09 2.92 1.01 0.79 -0.33 120.40 130.26 2cub s VAL 44 Ca -0.06 1.71 0.04 0.00 0.00 0.00 0.00 61.98 63.68 2cub s VAL 44 Cb -0.19 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 2cub s VAL 44 CO -0.06 -0.02 -0.03 0.23 0.00 0.00 0.00 175.10 175.22 2cub n MET 45 N 5.30 1.51 -4.08 2.72 2.81 0.87 0.17 117.12 126.43 2cub n MET 45 Ca 0.11 0.03 -0.11 0.00 -1.81 0.00 0.00 57.70 55.92 2cub n MET 45 Cb 0.47 -1.21 -0.11 0.00 -0.71 0.00 0.00 33.22 31.66 2cub n MET 45 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2cub s GLU 46 N -2.20 0.58 0.01 0.03 2.02 -0.52 0.23 118.70 118.84 2cub s GLU 46 Ca -0.09 -0.96 0.03 0.00 0.02 0.00 0.00 54.97 53.98 2cub s GLU 46 Cb 0.03 -0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.14 2cub s GLU 46 CO 0.29 -0.01 -0.11 0.15 0.02 0.00 0.00 175.26 175.60 2cub s LYS 47 N -2.54 0.81 0.28 1.61 1.02 -1.03 -0.81 119.74 119.09 2cub s LYS 47 Ca -0.03 -0.48 0.10 0.00 0.02 0.00 0.00 55.97 55.59 2cub s LYS 47 Cb -0.03 -0.78 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 2cub s LYS 47 CO -0.03 0.20 -0.07 0.00 -0.92 0.00 0.00 175.35 174.53 2cub h SER 49 N 2.01 -0.03 -1.15 0.00 0.02 -2.02 -3.26 113.55 109.12 2cub h SER 49 Ca -0.42 -0.69 0.33 0.00 -0.84 0.00 0.00 61.79 60.17 2cub h SER 49 Cb 1.25 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 2cub h SER 49 CO 0.61 0.76 1.21 -0.67 -1.14 0.00 0.00 176.83 177.60 2cub n ASP 50 N -4.72 0.00 0.00 3.07 -0.08 -1.26 -4.59 116.55 108.97 2cub n ASP 50 Ca -0.08 0.77 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 2cub n ASP 50 Cb 0.35 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.52 2cub n ASP 50 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cub n GLY 51 N -1.72 1.91 3.34 0.27 0.00 -1.23 -5.13 105.19 102.64 2cub n GLY 51 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2cub n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 52 N -2.00 2.47 0.27 1.61 0.52 -1.25 -4.03 118.94 116.52 2cub s TRP 52 Ca 0.00 -0.45 0.09 0.00 0.02 0.00 0.00 56.10 55.76 2cub s TRP 52 Cb 0.00 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2cub s TRP 52 CO 0.00 -0.04 0.01 -1.58 0.02 0.00 0.00 176.95 175.36 2cub s TRP 53 N -0.49 2.70 -0.24 -1.98 0.52 0.18 -0.53 118.94 119.11 2cub s TRP 53 Ca 0.06 -0.23 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 2cub s TRP 53 Cb -0.11 -1.23 0.07 0.00 -1.15 0.00 0.00 33.47 31.05 2cub s TRP 53 CO 0.01 0.60 0.02 0.50 0.02 0.00 0.00 176.95 178.10 2cub s ARG 54 N -3.69 1.01 0.05 4.98 3.52 0.01 0.31 118.95 125.14 2cub s ARG 54 Ca 0.32 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2cub s ARG 54 Cb -0.06 -2.28 -0.00 0.00 -1.56 0.00 0.00 34.95 31.05 2cub s ARG 54 CO 0.20 -0.71 0.02 0.41 -0.81 0.00 0.00 175.30 174.41 2cub n GLY 55 N 4.86 3.96 3.67 8.12 0.00 -1.14 -0.09 105.19 124.56 2cub n GLY 55 Ca -0.08 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 2cub n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cub s SER 56 N -1.30 4.64 -0.24 1.61 1.04 0.55 -2.49 113.70 117.51 2cub s SER 56 Ca 0.04 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 2cub s SER 56 Cb 0.00 -0.86 0.12 0.00 0.10 0.00 0.00 66.02 65.38 2cub s SER 56 CO 0.02 -0.06 0.30 -0.47 0.98 0.00 0.00 173.24 174.01 2cub s TYR 57 N -2.33 -0.54 -1.50 5.02 5.04 0.07 -2.24 117.35 120.87 2cub s TYR 57 Ca 0.33 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 2cub s TYR 57 Cb -0.06 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.01 2cub s TYR 57 CO 0.21 -0.73 0.00 -1.71 -1.34 0.00 0.00 175.55 171.97 2cub n ASN 58 N 5.33 -5.12 0.00 4.32 2.85 -1.26 -0.57 115.26 120.81 2cub n ASN 58 Ca -0.04 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2cub n ASN 58 Cb 0.49 -4.29 0.00 0.00 1.24 0.00 0.00 39.78 37.22 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cub n GLY 59 N -0.93 1.84 3.92 8.20 0.00 -1.26 -5.08 105.19 111.89 2cub n GLY 59 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2cub n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cub s GLN 60 N -0.84 1.99 -0.08 1.61 -1.52 0.26 -5.07 119.66 116.01 2cub s GLN 60 Ca 0.00 -0.19 -0.10 0.00 -1.95 0.00 0.00 55.36 53.12 2cub s GLN 60 Cb 0.00 -2.09 0.02 0.00 -0.22 0.00 0.00 33.01 30.73 2cub s GLN 60 CO 0.00 -1.44 0.27 0.08 -0.25 0.00 0.00 175.29 173.94 2cub s VAL 61 N -3.39 0.02 0.00 1.09 1.01 -1.26 -0.75 120.40 117.12 2cub s VAL 61 Ca 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2cub s VAL 61 Cb -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2cub s VAL 61 CO 0.47 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2cub n GLY 62 N 2.47 0.93 3.66 4.51 0.00 -1.04 -4.68 105.19 111.04 2cub n GLY 62 Ca -0.15 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2cub n GLY 62 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 63 N -2.00 3.36 0.09 1.61 0.52 0.11 -2.90 118.94 119.73 2cub s TRP 63 Ca 0.00 1.08 0.05 0.00 0.02 0.00 0.00 56.10 57.24 2cub s TRP 63 Cb 0.00 -2.94 -0.03 0.00 -1.15 0.00 0.00 33.47 29.35 2cub s TRP 63 CO 0.00 -0.27 -0.13 -0.59 0.02 0.00 0.00 176.95 175.99 2cub s PHE 64 N 2.29 1.18 -0.23 -1.98 -0.12 0.15 -2.47 117.98 116.79 2cub s PHE 64 Ca 0.33 -0.54 -0.29 0.00 -0.05 0.00 0.00 56.93 56.38 2cub s PHE 64 Cb -0.16 -0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 41.56 2cub s PHE 64 CO 0.10 0.05 1.62 -1.25 -0.05 0.00 0.00 175.22 175.69 2cub s PRO 65 N -2.23 3.76 0.41 1.99 0.04 -1.26 -0.65 135.00 137.06 2cub s PRO 65 Ca 0.02 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.78 2cub s PRO 65 Cb -0.07 -4.04 0.90 0.00 0.04 0.00 0.00 34.50 31.33 2cub s PRO 65 CO 0.02 -1.34 2.00 0.66 0.04 0.00 0.00 177.00 178.38 2cub h SER 66 N 10.86 0.48 -0.45 6.66 4.64 -1.89 -1.02 113.55 132.83 2cub h SER 66 Ca -0.33 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.12 2cub h SER 66 Cb 1.15 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2cub h SER 66 CO 1.01 0.31 0.63 0.78 -0.87 0.00 0.00 176.83 178.69 2cub h ASN 67 N 0.55 0.00 0.90 4.97 2.35 -1.90 1.02 115.58 123.47 2cub h ASN 67 Ca 0.25 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.83 2cub h ASN 67 Cb 0.27 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2cub h ASN 67 CO -0.07 0.00 -1.18 1.88 -1.65 0.00 0.00 177.43 176.41 2cub h TYR 68 N 0.00 0.00 -1.92 1.19 -1.99 -1.53 -3.47 116.97 109.24 2cub h TYR 68 Ca 0.21 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.44 2cub h TYR 68 Cb 1.46 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.15 2cub h TYR 68 CO 0.00 0.63 -0.48 0.14 -0.00 0.00 0.00 178.16 178.45 2cub s VAL 69 N -2.89 3.62 -0.01 -2.88 -7.23 0.35 0.13 120.40 111.50 2cub s VAL 69 Ca -0.01 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2cub s VAL 69 Cb 0.08 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2cub s VAL 69 CO 0.80 -0.21 -0.05 0.28 -0.31 0.00 0.00 175.10 175.60 2cub s THR 70 N -2.29 0.46 -0.56 5.32 -1.32 0.83 -4.82 115.64 113.25 2cub s THR 70 Ca 0.39 -0.22 -0.26 0.00 -1.21 0.00 0.00 61.69 60.39 2cub s THR 70 Cb -0.06 -0.41 -0.06 0.00 -1.51 0.00 0.00 72.50 70.46 2cub s THR 70 CO 0.26 0.14 2.26 -1.61 -2.21 0.00 0.00 174.62 173.45 2cub s GLU 71 N 0.04 2.20 -0.21 7.08 2.02 -1.26 0.62 118.70 129.19 2cub s GLU 71 Ca -0.00 1.07 -0.28 0.00 0.02 0.00 0.00 54.97 55.77 2cub s GLU 71 Cb -0.04 -4.57 0.00 0.00 0.10 0.00 0.00 34.13 29.62 2cub s GLU 71 CO -0.00 -3.25 0.99 -2.00 0.02 0.00 0.00 175.26 171.02 2cub s GLU 72 N 7.98 4.27 0.00 1.61 2.56 -0.99 -4.85 118.70 129.27 2cub s GLU 72 Ca 0.88 1.28 0.00 0.00 0.00 0.00 0.00 54.97 57.14 2cub s GLU 72 Cb -0.15 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.35 2cub s GLU 72 CO 0.22 -0.56 0.00 0.41 -0.56 0.00 0.00 175.26 174.77 2cub n GLY 73 N 3.37 3.50 3.77 -1.50 0.00 -1.26 -4.72 105.19 108.35 2cub n GLY 73 Ca 0.10 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 2cub n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 74 N 0.00 6.32 -0.11 1.61 1.01 -1.26 -5.01 116.67 119.23 2cub s ASP 74 Ca 0.00 2.76 -0.04 0.00 0.71 0.00 0.00 52.55 55.97 2cub s ASP 74 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2cub s ASP 74 CO 0.00 -0.85 0.06 -0.55 0.21 0.00 0.00 175.17 174.03 2cub s SER 75 N -0.58 5.68 0.95 0.27 0.15 -1.26 -5.11 113.70 113.81 2cub s SER 75 Ca 0.56 0.24 -0.12 0.00 0.70 0.00 0.00 55.95 57.33 2cub s SER 75 Cb -0.40 -1.75 0.16 0.00 -1.71 0.00 0.00 66.02 62.32 2cub s SER 75 CO 0.53 0.36 1.09 -2.16 1.20 0.00 0.00 173.24 174.26 2cub s PRO 76 N -0.75 0.79 0.33 5.44 0.04 -1.26 -4.99 135.00 134.60 2cub s PRO 76 Ca 0.12 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.53 2cub s PRO 76 Cb -0.12 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2cub s PRO 76 CO 0.03 -2.52 1.21 -0.51 0.04 0.00 0.00 177.00 175.24 2cub s LEU 77 N -6.36 4.42 -0.29 -3.56 1.02 -1.26 -5.02 118.68 107.63 2cub s LEU 77 Ca 0.64 2.47 -0.25 0.00 0.02 0.00 0.00 54.13 57.01 2cub s LEU 77 Cb -0.18 -3.72 0.18 0.00 0.02 0.00 0.00 46.19 42.49 2cub s LEU 77 CO 0.57 -0.43 1.36 -0.83 0.02 0.00 0.00 176.35 177.05 2cub s GLY 78 N -0.76 0.24 0.45 -3.19 0.00 -1.26 -5.18 107.32 97.61 2cub s GLY 78 Ca 0.49 3.30 0.05 0.00 0.00 0.00 0.00 44.72 48.57 2cub s GLY 78 CO 0.46 1.84 0.05 0.51 0.00 0.00 0.00 173.10 175.96 2cub s ASP 79 N -0.04 4.06 1.18 1.64 -4.77 -1.26 -5.13 116.67 112.34 2cub s ASP 79 Ca 0.07 -1.41 -0.13 0.00 -3.30 0.00 0.00 52.55 47.78 2cub s ASP 79 Cb -0.05 -0.11 0.29 0.00 -1.09 0.00 0.00 42.92 41.97 2cub s ASP 79 CO -0.13 -0.61 1.02 -2.28 0.70 0.00 0.00 175.17 173.88 2cub s HIS 80 N -2.75 1.34 0.00 2.11 5.65 -1.26 -5.06 115.29 115.32 2cub s HIS 80 Ca 0.27 1.15 0.01 0.00 0.25 0.00 0.00 55.06 56.74 2cub s HIS 80 Cb 0.06 -3.09 -0.00 0.00 -1.18 0.00 0.00 32.58 28.37 2cub s HIS 80 CO 0.14 -3.94 -0.02 0.08 -0.65 0.00 0.00 174.74 170.35 2cub s VAL 81 N -2.46 0.16 0.00 0.89 1.01 -1.26 -4.91 120.40 113.83 2cub s VAL 81 Ca 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2cub s VAL 81 Cb -0.25 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 35.98 2cub s VAL 81 CO 0.65 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2cub n GLY 82 N 2.94 4.25 3.62 4.51 0.00 -1.26 -4.61 105.19 114.64 2cub n GLY 82 Ca -0.13 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2cub n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cub s SER 83 N 0.00 6.29 0.00 1.61 0.01 -1.26 -4.84 113.70 115.52 2cub s SER 83 Ca 0.00 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2cub s SER 83 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2cub s SER 83 CO 0.00 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 172.89 2cub n GLY 84 N 4.87 -2.14 3.76 3.44 0.00 -1.26 -5.17 105.19 108.70 2cub n GLY 84 Ca 0.19 1.04 -0.31 0.00 0.00 0.00 0.00 46.02 46.94 2cub n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cub s PRO 85 N 0.00 2.15 -0.29 1.61 0.04 -1.26 -4.99 135.00 132.26 2cub s PRO 85 Ca 0.00 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.92 2cub s PRO 85 Cb 0.00 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2cub s PRO 85 CO 0.00 -1.71 0.91 0.45 0.04 0.00 0.00 177.00 176.69 2cub s SER 86 N -3.39 6.82 -0.14 6.66 0.15 -1.26 -4.94 113.70 117.60 2cub s SER 86 Ca 0.61 0.92 -0.10 0.00 0.70 0.00 0.00 55.95 58.08 2cub s SER 86 Cb -0.17 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2cub s SER 86 CO 0.56 -0.69 -0.10 -1.28 1.20 0.00 0.00 173.24 172.94 2cub h SER 87 N 7.97 0.00 0.00 5.45 0.87 -2.08 -3.58 113.55 122.18 2cub h SER 87 Ca -0.22 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2cub h SER 87 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2cub h SER 87 CO 0.94 0.82 0.00 0.61 -0.53 0.00 0.00 176.83 178.67