#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub n SER 2 N 0.00 1.74 -0.09 1.61 7.64 -1.26 -4.93 113.62 118.33 2cub n SER 2 Ca 0.00 1.17 -0.20 0.00 1.01 0.00 0.00 58.87 60.85 2cub n SER 2 Cb 0.00 -1.32 -0.12 0.00 -1.01 0.00 0.00 64.21 61.76 2cub n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2cub h SER 3 N 2.74 0.03 0.00 6.43 4.64 -2.13 -3.50 113.55 121.76 2cub h SER 3 Ca -0.42 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.27 2cub h SER 3 Cb 1.32 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2cub h SER 3 CO 0.65 1.42 0.00 0.61 -0.87 0.00 0.00 176.83 178.64 2cub n GLY 4 N 1.50 1.45 3.64 -0.77 0.00 -1.26 -5.18 105.19 104.58 2cub n GLY 4 Ca -0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 2cub n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cub s SER 5 N 0.00 -0.35 0.05 1.61 0.15 -1.26 -5.18 113.70 108.72 2cub s SER 5 Ca 0.00 0.60 0.06 0.00 0.70 0.00 0.00 55.95 57.31 2cub s SER 5 Cb 0.00 0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 65.24 2cub s SER 5 CO 0.00 -0.10 -0.17 -0.55 1.20 0.00 0.00 173.24 173.62 2cub s SER 6 N 0.86 2.04 0.00 5.45 0.15 -1.26 -4.90 113.70 116.05 2cub s SER 6 Ca -0.04 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2cub s SER 6 Cb -0.04 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2cub s SER 6 CO -0.12 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2cub n GLY 7 N 1.72 0.72 3.78 9.45 0.00 -1.26 -5.05 105.19 114.55 2cub n GLY 7 Ca -0.18 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2cub n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cub s ASP 8 N -2.63 7.33 0.93 1.61 1.47 -1.26 -5.05 116.67 119.06 2cub s ASP 8 Ca 0.00 1.80 -0.12 0.00 1.18 0.00 0.00 52.55 55.41 2cub s ASP 8 Cb 0.00 -2.57 0.15 0.00 -0.34 0.00 0.00 42.92 40.16 2cub s ASP 8 CO 0.00 -0.05 1.09 -2.16 0.68 0.00 0.00 175.17 174.74 2cub s PRO 9 N -2.00 1.00 -0.92 2.11 0.04 -1.26 -4.78 135.00 129.18 2cub s PRO 9 Ca 0.49 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 2cub s PRO 9 Cb -0.19 -1.79 -0.21 0.00 0.04 0.00 0.00 34.50 32.35 2cub s PRO 9 CO 0.24 -2.40 2.59 0.41 0.04 0.00 0.00 177.00 177.88 2cub n GLY 10 N -1.11 -0.39 2.86 0.56 0.00 -1.26 -4.86 105.19 100.99 2cub n GLY 10 Ca 0.06 0.93 -0.29 0.00 0.00 0.00 0.00 46.02 46.72 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 8.67 1.27 -0.15 1.61 2.56 -1.26 -5.11 118.70 126.29 2cub s GLU 11 Ca 1.29 -0.78 -0.09 0.00 0.00 0.00 0.00 54.97 55.39 2cub s GLU 11 Cb -1.04 -2.41 0.05 0.00 2.00 0.00 0.00 34.13 32.74 2cub s GLU 11 CO 0.46 -0.61 0.37 1.03 -0.56 0.00 0.00 175.26 175.95 2cub s ARG 12 N 1.57 0.37 -0.28 4.30 1.81 -1.26 -5.10 118.95 120.35 2cub s ARG 12 Ca -0.04 0.67 -0.03 0.00 -1.72 0.00 0.00 55.73 54.61 2cub s ARG 12 Cb -0.18 0.02 0.03 0.00 -0.45 0.00 0.00 34.95 34.36 2cub s ARG 12 CO -0.07 -0.13 0.00 -0.51 -0.68 0.00 0.00 175.30 173.91 2cub s LEU 13 N 1.06 3.61 0.33 2.53 1.02 -1.26 -5.08 118.68 120.89 2cub s LEU 13 Ca -0.07 -0.94 0.03 0.00 0.02 0.00 0.00 54.13 53.18 2cub s LEU 13 Cb -0.07 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 2cub s LEU 13 CO -0.09 -0.19 0.33 -0.72 0.02 0.00 0.00 176.35 175.71 2cub s TYR 14 N 1.36 1.49 -1.57 0.29 -0.85 -1.26 -2.69 117.35 114.12 2cub s TYR 14 Ca -0.01 -1.52 -0.17 0.00 -0.52 0.00 0.00 57.07 54.85 2cub s TYR 14 Cb -0.18 -0.50 0.17 0.00 0.38 0.00 0.00 41.96 41.84 2cub s TYR 14 CO -0.01 -0.94 0.43 -3.47 -1.52 0.00 0.00 175.55 170.03 2cub n ASP 15 N -1.41 -1.15 -0.04 -0.18 -0.08 0.52 -4.79 116.55 109.42 2cub n ASP 15 Ca 0.05 -1.08 -0.14 0.00 -1.51 0.00 0.00 54.79 52.11 2cub n ASP 15 Cb 0.62 -1.37 -0.09 0.00 2.34 0.00 0.00 41.12 42.62 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2cub h LEU 16 N -0.86 0.28 1.04 -2.67 4.07 -1.49 -3.48 115.31 112.20 2cub h LEU 16 Ca -0.52 -0.61 -0.28 0.00 0.08 0.00 0.00 57.88 56.55 2cub h LEU 16 Cb 1.20 -0.08 0.02 0.00 1.08 0.00 0.00 40.66 42.88 2cub h LEU 16 CO 0.75 0.84 -0.40 0.59 -1.08 0.00 0.00 178.44 179.14 2cub n ASN 17 N -4.55 -4.59 -4.65 -0.43 4.13 0.30 -4.98 115.26 100.49 2cub n ASN 17 Ca -0.08 -0.13 -0.41 0.00 1.68 0.00 0.00 54.58 55.64 2cub n ASN 17 Cb 0.42 -3.56 -0.05 0.00 -1.54 0.00 0.00 39.78 35.05 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2cub s MET 18 N -5.12 4.19 -0.04 3.52 -1.94 -0.36 -4.74 119.30 114.81 2cub s MET 18 Ca 0.14 0.72 -0.30 0.00 -1.71 0.00 0.00 55.69 54.53 2cub s MET 18 Cb -0.06 -3.61 -0.05 0.00 2.01 0.00 0.00 34.83 33.12 2cub s MET 18 CO 0.17 -0.35 1.48 -1.25 -0.01 0.00 0.00 175.02 175.06 2cub s PRO 19 N 2.28 4.23 0.42 2.03 0.04 -1.26 -0.02 135.00 142.73 2cub s PRO 19 Ca 0.30 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.43 2cub s PRO 19 Cb -0.16 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2cub s PRO 19 CO 0.10 -0.70 0.21 0.00 0.04 0.00 0.00 177.00 176.64 2cub s ALA 20 N 3.18 3.68 -0.20 8.56 0.00 0.92 -2.69 121.76 135.21 2cub s ALA 20 Ca 0.66 -2.01 0.01 0.00 0.00 0.00 0.00 51.96 50.62 2cub s ALA 20 Cb -0.31 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.41 2cub s ALA 20 CO 0.26 -0.18 -0.07 -0.47 0.00 0.00 0.00 175.76 175.29 2cub s TYR 21 N -2.60 2.26 -0.50 0.00 5.04 0.19 -1.28 117.35 120.46 2cub s TYR 21 Ca 0.41 -1.54 -0.27 0.00 -2.44 0.00 0.00 57.07 53.22 2cub s TYR 21 Cb 0.03 -1.55 -0.04 0.00 0.35 0.00 0.00 41.96 40.74 2cub s TYR 21 CO 0.23 -0.73 2.13 0.08 -1.34 0.00 0.00 175.55 175.92 2cub s VAL 22 N 1.45 3.18 0.12 3.14 1.01 -0.89 -0.70 120.40 127.71 2cub s VAL 22 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2cub s VAL 22 Cb -0.17 -3.42 -0.21 0.00 0.00 0.00 0.00 36.38 32.58 2cub s VAL 22 CO -0.07 -0.38 1.27 0.11 0.00 0.00 0.00 175.10 176.02 2cub h LYS 23 N 16.86 0.14 -4.76 2.72 1.57 0.52 -1.38 116.57 132.25 2cub h LYS 23 Ca -0.27 -0.21 -0.47 0.00 -1.87 0.00 0.00 60.65 57.82 2cub h LYS 23 Cb 1.22 0.07 -0.31 0.00 0.08 0.00 0.00 32.23 33.29 2cub h LYS 23 CO 1.15 1.05 -0.80 -0.06 -0.57 0.00 0.00 179.45 180.22 2cub s PHE 24 N -2.85 1.21 -0.06 -1.35 0.08 -0.62 -4.70 117.98 109.70 2cub s PHE 24 Ca -0.02 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.40 2cub s PHE 24 Cb 0.09 -0.85 -0.06 0.00 -0.57 0.00 0.00 43.02 41.63 2cub s PHE 24 CO 0.84 -0.14 1.69 0.54 -0.10 0.00 0.00 175.22 178.05 2cub s ASN 25 N 0.23 6.61 -0.18 1.36 2.20 -1.26 -4.43 114.94 119.48 2cub s ASN 25 Ca -0.05 2.24 -0.05 0.00 -0.94 0.00 0.00 52.86 54.06 2cub s ASN 25 Cb -0.10 -2.53 -0.03 0.00 -2.00 0.00 0.00 41.25 36.58 2cub s ASN 25 CO 0.01 -0.97 0.01 -0.47 -2.94 0.00 0.00 177.10 172.74 2cub s TYR 26 N 4.21 3.09 -0.25 1.54 6.14 -0.69 -4.91 117.35 126.49 2cub s TYR 26 Ca 0.75 -0.24 -0.13 0.00 0.64 0.00 0.00 57.07 58.09 2cub s TYR 26 Cb -0.34 -2.04 -0.04 0.00 0.42 0.00 0.00 41.96 39.96 2cub s TYR 26 CO 0.31 -0.05 0.30 -1.64 0.64 0.00 0.00 175.55 175.11 2cub s MET 27 N 0.59 4.06 0.35 4.97 -1.94 -1.26 0.00 119.30 126.08 2cub s MET 27 Ca -0.00 -0.05 -0.12 0.00 -1.71 0.00 0.00 55.69 53.81 2cub s MET 27 Cb -0.14 -3.60 -0.08 0.00 2.01 0.00 0.00 34.83 33.03 2cub s MET 27 CO 0.02 -0.12 0.73 0.00 -0.01 0.00 0.00 175.02 175.64 2cub s ALA 28 N 1.58 3.36 0.00 3.03 0.00 -1.26 -4.94 121.76 123.53 2cub s ALA 28 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2cub s ALA 28 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2cub s ALA 28 CO 0.08 0.19 0.00 0.39 0.00 0.00 0.00 175.76 176.42 2cub n GLU 29 N -0.79 1.37 -4.43 0.00 1.02 -1.26 -4.95 120.64 111.60 2cub n GLU 29 Ca 0.03 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 2cub n GLU 29 Cb 0.53 -0.96 -0.13 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.88 1.30 0.33 3.49 1.81 -1.26 -5.02 118.95 117.72 2cub s ARG 30 Ca 0.00 -1.17 0.10 0.00 -1.72 0.00 0.00 55.73 52.94 2cub s ARG 30 Cb 0.00 -1.60 0.89 0.00 -0.45 0.00 0.00 34.95 33.79 2cub s ARG 30 CO 0.00 0.38 1.75 1.05 -0.68 0.00 0.00 175.30 177.80 2cub h GLU 31 N 4.22 0.58 0.00 3.54 9.09 -1.98 0.69 114.58 130.71 2cub h GLU 31 Ca -0.47 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 58.90 2cub h GLU 31 Cb 1.17 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 28.14 2cub h GLU 31 CO 0.40 0.38 -0.04 0.38 0.05 0.00 0.00 179.01 180.19 2cub h ASP 32 N 0.59 0.00 -3.43 3.06 3.04 -1.96 -3.43 116.42 114.30 2cub h ASP 32 Ca 0.62 0.00 -0.50 0.00 -3.24 0.00 0.00 57.03 53.91 2cub h ASP 32 Cb 1.19 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.49 2cub h ASP 32 CO -0.42 0.04 0.00 -1.61 -2.04 0.00 0.00 179.24 175.21 2cub s GLU 33 N -4.71 3.65 -0.02 4.15 2.02 0.24 0.74 118.70 124.77 2cub s GLU 33 Ca -0.05 0.18 0.08 0.00 0.02 0.00 0.00 54.97 55.20 2cub s GLU 33 Cb 0.15 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 2cub s GLU 33 CO 0.61 0.02 -0.25 -1.17 0.02 0.00 0.00 175.26 174.49 2cub s LEU 34 N -4.01 2.05 -0.48 1.80 2.96 -1.19 -4.55 118.68 115.26 2cub s LEU 34 Ca 0.47 -0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 53.68 2cub s LEU 34 Cb -0.10 -1.29 0.03 0.00 0.50 0.00 0.00 46.19 45.33 2cub s LEU 34 CO 0.35 0.30 0.89 -0.94 -1.32 0.00 0.00 176.35 175.63 2cub s SER 35 N -0.55 6.43 0.45 3.68 1.04 -1.26 -4.33 113.70 119.17 2cub s SER 35 Ca 0.09 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.32 2cub s SER 35 Cb -0.10 -2.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 2cub s SER 35 CO -0.01 -1.06 0.85 -0.76 0.98 0.00 0.00 173.24 173.24 2cub s LEU 36 N 3.67 3.72 -0.11 2.42 1.43 0.10 -4.89 118.68 125.02 2cub s LEU 36 Ca 0.33 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 2cub s LEU 36 Cb -0.11 -4.18 0.02 0.00 0.03 0.00 0.00 46.19 41.95 2cub s LEU 36 CO 0.23 -0.49 -0.11 -0.63 0.23 0.00 0.00 176.35 175.58 2cub s ILE 37 N -2.51 1.27 -0.05 -0.59 1.01 -1.26 -1.70 121.20 117.36 2cub s ILE 37 Ca 0.53 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2cub s ILE 37 Cb -0.10 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.09 2cub s ILE 37 CO 0.33 0.40 1.95 -0.75 0.00 0.00 0.00 174.94 176.88 2cub s LYS 38 N 1.32 3.90 0.00 2.79 2.20 -1.26 -2.33 119.74 126.37 2cub s LYS 38 Ca -0.01 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 2cub s LYS 38 Cb -0.14 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 2cub s LYS 38 CO -0.05 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.13 2cub n GLY 39 N 4.76 1.30 2.22 5.54 0.00 -0.52 -4.92 105.19 113.57 2cub n GLY 39 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 2cub n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cub n THR 40 N -1.41 0.00 -4.47 2.61 -2.24 -0.98 -5.02 114.28 102.77 2cub n THR 40 Ca 0.00 -1.54 -0.21 0.00 -2.27 0.00 0.00 64.05 60.03 2cub n THR 40 Cb 0.00 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 68.56 2cub n THR 40 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2cub s LYS 41 N -3.06 1.00 0.39 -0.78 2.20 -1.26 -2.10 119.74 116.14 2cub s LYS 41 Ca 0.10 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.38 2cub s LYS 41 Cb 0.00 -0.94 -0.06 0.00 -1.51 0.00 0.00 37.83 35.33 2cub s LYS 41 CO 0.07 0.18 0.04 0.14 -0.36 0.00 0.00 175.35 175.42 2cub s VAL 42 N -0.01 1.41 -0.27 4.02 -7.23 -0.40 -4.91 120.40 113.00 2cub s VAL 42 Ca -0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2cub s VAL 42 Cb -0.07 -2.72 0.06 0.00 0.56 0.00 0.00 36.38 34.21 2cub s VAL 42 CO 0.00 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.07 2cub s ILE 43 N -3.02 2.21 0.11 -0.62 -1.09 -1.07 -0.05 121.20 117.67 2cub s ILE 43 Ca 0.30 -1.71 -0.30 0.00 -2.23 0.00 0.00 60.65 56.71 2cub s ILE 43 Cb 0.07 -2.34 -0.06 0.00 -1.58 0.00 0.00 42.46 38.55 2cub s ILE 43 CO 0.14 -0.09 1.18 -0.69 -1.23 0.00 0.00 174.94 174.25 2cub s VAL 44 N 1.08 3.91 -0.05 2.92 1.01 0.97 -1.19 120.40 129.06 2cub s VAL 44 Ca -0.07 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.40 2cub s VAL 44 Cb -0.20 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2cub s VAL 44 CO -0.05 0.17 -0.01 0.23 0.00 0.00 0.00 175.10 175.44 2cub n MET 45 N 3.33 2.21 -3.98 2.72 2.81 0.79 0.11 117.12 125.12 2cub n MET 45 Ca 0.07 0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.88 2cub n MET 45 Cb 0.46 -1.11 -0.10 0.00 -0.71 0.00 0.00 33.22 31.76 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 -2.11 0.50 -0.02 0.03 2.02 -0.44 0.19 118.70 118.87 2cub s GLU 46 Ca -0.04 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2cub s GLU 46 Cb 0.01 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.46 2cub s GLU 46 CO 0.16 -0.11 0.01 0.15 0.02 0.00 0.00 175.26 175.49 2cub s LYS 47 N -2.51 0.19 -0.34 1.61 1.02 -1.09 -0.44 119.74 118.19 2cub s LYS 47 Ca -0.06 0.09 -0.14 0.00 0.02 0.00 0.00 55.97 55.88 2cub s LYS 47 Cb -0.02 -0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 36.89 2cub s LYS 47 CO -0.05 -0.12 0.30 0.00 -0.92 0.00 0.00 175.35 174.56 2cub n SER 49 N 5.23 0.23 -0.11 0.00 3.41 -1.26 0.14 113.62 121.27 2cub n SER 49 Ca -0.11 1.16 -0.06 0.00 -0.26 0.00 0.00 58.87 59.60 2cub n SER 49 Cb 0.50 -0.56 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 2cub n SER 49 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2cub h ASP 50 N 0.00 -0.67 0.00 4.04 1.82 -2.06 -3.46 116.42 116.09 2cub h ASP 50 Ca 0.62 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.41 2cub h ASP 50 Cb 1.70 0.36 0.00 0.00 0.68 0.00 0.00 39.33 42.07 2cub h ASP 50 CO -0.51 -0.23 0.00 0.61 -1.61 0.00 0.00 179.24 177.50 2cub n GLY 51 N -1.37 0.43 3.73 -0.78 0.00 0.37 -5.13 105.19 102.43 2cub n GLY 51 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.51 0.26 1.61 0.52 -1.23 -3.46 118.94 120.16 2cub s TRP 52 Ca 0.00 1.48 0.09 0.00 0.02 0.00 0.00 56.10 57.69 2cub s TRP 52 Cb 0.00 -3.35 -0.04 0.00 -1.15 0.00 0.00 33.47 28.93 2cub s TRP 52 CO 0.00 -0.92 0.01 -1.58 0.02 0.00 0.00 176.95 174.48 2cub s TRP 53 N 0.17 2.72 -0.18 -1.98 0.52 0.47 -0.51 118.94 120.15 2cub s TRP 53 Ca 0.53 -0.21 -0.01 0.00 0.02 0.00 0.00 56.10 56.43 2cub s TRP 53 Cb -0.30 -1.21 0.05 0.00 -1.15 0.00 0.00 33.47 30.86 2cub s TRP 53 CO 0.34 0.61 -0.04 0.50 0.02 0.00 0.00 176.95 178.38 2cub s ARG 54 N -3.65 1.36 0.00 4.98 3.52 0.42 0.42 118.95 126.00 2cub s ARG 54 Ca 0.31 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 2cub s ARG 54 Cb -0.07 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 2cub s ARG 54 CO 0.20 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 2cub n GLY 55 N 4.87 4.28 3.35 8.12 0.00 -0.97 -0.15 105.19 124.68 2cub n GLY 55 Ca -0.11 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 2cub n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cub s SER 56 N -0.69 2.63 -0.25 1.61 0.15 -0.34 -2.20 113.70 114.61 2cub s SER 56 Ca 0.00 -0.98 -0.02 0.00 0.70 0.00 0.00 55.95 55.64 2cub s SER 56 Cb 0.00 -0.15 0.14 0.00 -1.71 0.00 0.00 66.02 64.31 2cub s SER 56 CO 0.00 -0.13 0.42 -0.47 1.20 0.00 0.00 173.24 174.26 2cub s TYR 57 N -2.75 -0.97 -1.44 3.44 6.14 -0.55 -2.60 117.35 118.62 2cub s TYR 57 Ca 0.21 1.00 -0.00 0.00 0.64 0.00 0.00 57.07 58.92 2cub s TYR 57 Cb -0.02 0.12 0.00 0.00 0.42 0.00 0.00 41.96 42.48 2cub s TYR 57 CO 0.07 -0.75 0.02 0.09 0.64 0.00 0.00 175.55 175.63 2cub n ASN 58 N 5.38 -5.01 0.00 4.32 4.13 -1.26 -1.67 115.26 121.15 2cub n ASN 58 Ca -0.03 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2cub n ASN 58 Cb 0.50 -4.09 0.00 0.00 -1.54 0.00 0.00 39.78 34.65 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cub n GLY 59 N -1.03 0.83 3.91 7.41 0.00 -1.26 -5.06 105.19 109.99 2cub n GLY 59 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.82 2.48 -0.11 1.61 -1.52 -0.67 -5.08 119.66 115.54 2cub s GLN 60 Ca 0.00 0.00 -0.08 0.00 -1.95 0.00 0.00 55.36 53.33 2cub s GLN 60 Cb 0.00 -2.14 0.04 0.00 -0.22 0.00 0.00 33.01 30.69 2cub s GLN 60 CO 0.00 -1.11 0.28 0.08 -0.25 0.00 0.00 175.29 174.29 2cub s VAL 61 N -3.25 -0.02 0.07 1.09 1.01 -1.26 -1.48 120.40 116.56 2cub s VAL 61 Ca 0.58 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 2cub s VAL 61 Cb -0.11 -0.41 0.06 0.00 0.00 0.00 0.00 36.38 35.93 2cub s VAL 61 CO 0.47 0.03 0.88 0.61 0.00 0.00 0.00 175.10 177.08 2cub n GLY 62 N 3.55 0.55 3.53 4.51 0.00 -0.94 -4.77 105.19 111.61 2cub n GLY 62 Ca -0.19 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.66 3.15 0.08 1.61 0.52 0.23 -2.30 118.94 119.56 2cub s TRP 63 Ca 0.20 -0.19 0.04 0.00 0.02 0.00 0.00 56.10 56.17 2cub s TRP 63 Cb -0.01 -2.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2cub s TRP 63 CO 0.02 -0.16 -0.11 -0.59 0.02 0.00 0.00 176.95 176.13 2cub s PHE 64 N 1.18 1.02 -0.14 -1.98 -0.12 0.17 -3.15 117.98 114.97 2cub s PHE 64 Ca 0.05 -0.57 -0.29 0.00 -0.05 0.00 0.00 56.93 56.06 2cub s PHE 64 Cb -0.14 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 2cub s PHE 64 CO 0.04 -0.00 1.55 -1.25 -0.05 0.00 0.00 175.22 175.51 2cub s PRO 65 N -2.26 4.04 0.48 1.99 0.04 -1.26 -0.40 135.00 137.63 2cub s PRO 65 Ca 0.00 1.87 0.16 0.00 0.04 0.00 0.00 61.00 63.07 2cub s PRO 65 Cb -0.06 -3.96 1.16 0.00 0.04 0.00 0.00 34.50 31.68 2cub s PRO 65 CO 0.01 -0.99 2.06 0.66 0.04 0.00 0.00 177.00 178.78 2cub h SER 66 N 9.70 0.18 -0.10 6.66 4.64 -1.89 -0.58 113.55 132.17 2cub h SER 66 Ca -0.34 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.01 2cub h SER 66 Cb 1.15 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2cub h SER 66 CO 0.98 0.12 0.33 0.78 -0.87 0.00 0.00 176.83 178.17 2cub h ASN 67 N 0.21 0.00 0.63 4.97 2.35 -1.90 0.28 115.58 122.12 2cub h ASN 67 Ca 0.15 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.63 2cub h ASN 67 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2cub h ASN 67 CO -0.03 0.00 -1.46 1.88 -1.65 0.00 0.00 177.43 176.18 2cub h TYR 68 N 0.00 0.11 -1.29 1.19 -1.99 -1.44 -3.47 116.97 110.08 2cub h TYR 68 Ca 0.05 -0.08 -0.50 0.00 2.00 0.00 0.00 58.73 60.20 2cub h TYR 68 Cb 0.71 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 2cub h TYR 68 CO 0.00 1.11 -0.33 0.14 -0.00 0.00 0.00 178.16 179.08 2cub s VAL 69 N -2.64 2.49 -0.04 -2.88 -7.23 0.99 0.11 120.40 111.20 2cub s VAL 69 Ca -0.04 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2cub s VAL 69 Cb 0.08 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.25 2cub s VAL 69 CO 0.83 0.00 0.12 0.28 -0.31 0.00 0.00 175.10 176.02 2cub s THR 70 N -2.53 0.00 -0.84 5.32 -1.32 0.12 -4.80 115.64 111.60 2cub s THR 70 Ca 0.48 -0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.69 2cub s THR 70 Cb -0.04 -0.18 -0.10 0.00 -1.51 0.00 0.00 72.50 70.66 2cub s THR 70 CO 0.28 -0.01 2.23 -1.61 -2.21 0.00 0.00 174.62 173.31 2cub s GLU 71 N 0.03 1.95 0.09 7.08 2.02 -1.26 0.56 118.70 129.17 2cub s GLU 71 Ca -0.00 0.18 -0.25 0.00 0.02 0.00 0.00 54.97 54.91 2cub s GLU 71 Cb -0.01 -4.89 -0.14 0.00 0.10 0.00 0.00 34.13 29.18 2cub s GLU 71 CO 0.00 -4.07 1.71 1.49 0.02 0.00 0.00 175.26 174.41 2cub h GLU 72 N 12.13 -0.21 -2.28 1.61 4.57 -1.80 -3.48 114.58 125.12 2cub h GLU 72 Ca 0.04 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 2cub h GLU 72 Cb 1.00 0.05 0.03 0.00 -0.16 0.00 0.00 28.75 29.67 2cub h GLU 72 CO 1.08 -0.14 -0.16 0.41 -1.18 0.00 0.00 179.01 179.02 2cub n GLY 73 N -1.20 0.53 3.01 1.92 0.00 -1.21 -5.02 105.19 103.23 2cub n GLY 73 Ca -0.08 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 2cub n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cub n ASP 74 N 0.03 -2.91 -4.76 1.61 2.03 -1.26 -4.88 116.55 106.40 2cub n ASP 74 Ca -0.01 -0.34 -0.40 0.00 0.52 0.00 0.00 54.79 54.56 2cub n ASP 74 Cb 0.52 -0.75 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 2cub n ASP 74 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2cub s SER 75 N -1.88 7.21 0.02 1.67 0.15 -1.26 -4.98 113.70 114.63 2cub s SER 75 Ca 0.35 2.28 -0.30 0.00 0.70 0.00 0.00 55.95 58.97 2cub s SER 75 Cb -0.05 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.57 2cub s SER 75 CO 0.34 -0.18 1.43 -2.16 1.20 0.00 0.00 173.24 173.87 2cub s PRO 76 N -1.52 4.28 -0.16 5.44 0.04 -1.26 -5.02 135.00 136.79 2cub s PRO 76 Ca 0.45 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.49 2cub s PRO 76 Cb -0.32 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 2cub s PRO 76 CO 0.41 -0.57 -0.06 -0.48 0.04 0.00 0.00 177.00 176.34 2cub s LEU 77 N 2.25 3.07 -1.53 -3.56 2.34 -1.26 -4.64 118.68 115.34 2cub s LEU 77 Ca 0.65 -0.23 -0.06 0.00 0.06 0.00 0.00 54.13 54.56 2cub s LEU 77 Cb -0.33 -1.74 0.05 0.00 -0.56 0.00 0.00 46.19 43.61 2cub s LEU 77 CO 0.28 0.13 0.44 0.61 -1.06 0.00 0.00 176.35 176.74 2cub n GLY 78 N 3.81 -0.27 3.63 -3.48 0.00 -1.26 -4.94 105.19 102.69 2cub n GLY 78 Ca -0.18 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2cub n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cub s ASP 79 N -4.06 5.22 0.25 1.61 -4.77 -1.26 -5.11 116.67 108.55 2cub s ASP 79 Ca 0.22 0.07 0.05 0.00 -3.30 0.00 0.00 52.55 49.60 2cub s ASP 79 Cb -0.12 -1.65 -0.03 0.00 -1.09 0.00 0.00 42.92 40.03 2cub s ASP 79 CO 0.93 0.29 0.34 -1.38 0.70 0.00 0.00 175.17 176.04 2cub s HIS 80 N -0.36 3.37 -0.01 2.11 -3.43 -1.26 -5.05 115.29 110.65 2cub s HIS 80 Ca 0.07 -0.05 -0.30 0.00 -0.80 0.00 0.00 55.06 53.98 2cub s HIS 80 Cb -0.12 -1.56 -0.06 0.00 -1.43 0.00 0.00 32.58 29.40 2cub s HIS 80 CO 0.02 0.43 1.64 0.08 -2.00 0.00 0.00 174.74 174.91 2cub s VAL 81 N -2.02 3.44 -0.30 -5.38 1.01 -1.26 -4.94 120.40 110.95 2cub s VAL 81 Ca 0.34 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 2cub s VAL 81 Cb -0.09 -3.43 0.18 0.00 0.00 0.00 0.00 36.38 33.04 2cub s VAL 81 CO 0.28 -0.04 1.01 -0.83 0.00 0.00 0.00 175.10 175.53 2cub s GLY 82 N 2.98 -0.72 0.30 4.51 0.00 -1.26 -5.18 107.32 107.96 2cub s GLY 82 Ca 0.73 2.30 0.04 0.00 0.00 0.00 0.00 44.72 47.79 2cub s GLY 82 CO 0.30 3.96 0.18 -0.56 0.00 0.00 0.00 173.10 176.98 2cub s SER 83 N 2.95 1.47 -0.52 1.64 0.01 -1.26 -5.12 113.70 112.86 2cub s SER 83 Ca 0.15 -1.59 0.04 0.00 1.31 0.00 0.00 55.95 55.86 2cub s SER 83 Cb -0.06 0.43 0.16 0.00 0.21 0.00 0.00 66.02 66.77 2cub s SER 83 CO -0.18 -0.93 0.37 -0.83 0.41 0.00 0.00 173.24 172.08 2cub s GLY 84 N -3.36 1.94 0.85 3.44 0.00 -1.26 -5.12 107.32 103.82 2cub s GLY 84 Ca 0.37 -2.98 -0.11 0.00 0.00 0.00 0.00 44.72 41.99 2cub s GLY 84 CO 0.19 1.60 1.09 2.56 0.00 0.00 0.00 173.10 178.54 2cub s PRO 85 N -0.40 1.61 0.02 2.90 0.04 -1.26 -5.07 135.00 132.84 2cub s PRO 85 Ca 0.26 0.94 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 2cub s PRO 85 Cb -0.07 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.73 2cub s PRO 85 CO -0.13 -2.03 1.00 0.45 0.04 0.00 0.00 177.00 176.33 2cub s SER 86 N -3.42 -0.23 -1.73 6.66 0.15 -1.26 -4.97 113.70 108.91 2cub s SER 86 Ca 0.63 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.95 2cub s SER 86 Cb -0.18 0.36 0.17 0.00 -1.71 0.00 0.00 66.02 64.67 2cub s SER 86 CO 0.57 -0.63 0.43 -1.54 1.20 0.00 0.00 173.24 173.27 2cub n SER 87 N -0.34 -1.09 0.00 5.45 3.41 -1.26 -5.36 113.62 114.44 2cub n SER 87 Ca -0.07 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 2cub n SER 87 Cb 0.61 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49