#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 5.10 -0.01 1.61 0.01 -1.26 -5.07 113.70 114.08 2cub s SER 2 Ca 0.00 -0.84 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 2cub s SER 2 Cb 0.00 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2cub s SER 2 CO 0.00 -1.10 -0.01 -1.54 0.41 0.00 0.00 173.24 171.00 2cub n SER 3 N -1.98 2.31 -2.02 2.44 3.41 -1.26 -5.09 113.62 111.42 2cub n SER 3 Ca 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2cub n SER 3 Cb 0.62 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2cub n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cub n GLY 4 N 3.22 3.01 3.50 5.00 0.00 -1.26 -5.04 105.19 113.62 2cub n GLY 4 Ca -0.02 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.02 6.61 0.63 1.61 0.15 -1.26 -5.00 113.70 115.41 2cub s SER 5 Ca 0.00 -1.87 -0.18 0.00 0.70 0.00 0.00 55.95 54.60 2cub s SER 5 Cb -0.00 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 2cub s SER 5 CO 0.00 -1.23 1.25 -0.55 1.20 0.00 0.00 173.24 173.91 2cub s SER 6 N 4.15 4.85 0.00 5.45 0.15 -1.26 -4.58 113.70 122.46 2cub s SER 6 Ca 0.39 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.55 2cub s SER 6 Cb -0.02 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2cub s SER 6 CO -0.09 -1.83 0.00 0.61 1.20 0.00 0.00 173.24 173.13 2cub n GLY 7 N 0.69 1.62 3.23 9.45 0.00 -1.26 -5.14 105.19 113.78 2cub n GLY 7 Ca 0.15 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2cub n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cub n ASP 8 N 0.00 -3.79 -4.77 1.61 9.92 -1.26 -4.87 116.55 113.39 2cub n ASP 8 Ca 0.00 0.63 -0.36 0.00 -0.53 0.00 0.00 54.79 54.53 2cub n ASP 8 Cb 0.00 -0.84 -0.00 0.00 -0.64 0.00 0.00 41.12 39.63 2cub n ASP 8 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cub s PRO 9 N -1.06 3.56 0.00 -0.24 0.04 -1.26 -5.02 135.00 131.02 2cub s PRO 9 Ca 0.56 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2cub s PRO 9 Cb -0.48 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2cub s PRO 9 CO 0.67 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2cub n GLY 10 N 0.30 0.04 2.62 0.56 0.00 -1.26 -5.07 105.19 102.37 2cub n GLY 10 Ca 0.09 0.70 -0.23 0.00 0.00 0.00 0.00 46.02 46.59 2cub n GLY 10 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cub n GLU 11 N 0.00 2.70 -3.44 1.61 4.07 -1.26 -5.04 120.64 119.29 2cub n GLU 11 Ca 0.00 -4.28 -0.42 0.00 -0.06 0.00 0.00 57.16 52.40 2cub n GLU 11 Cb 0.00 -2.02 -0.10 0.00 -0.06 0.00 0.00 31.44 29.26 2cub n GLU 11 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2cub s ARG 12 N -3.32 3.26 -0.31 5.31 3.52 -1.26 -4.41 118.95 121.74 2cub s ARG 12 Ca 0.44 -0.74 -0.07 0.00 -0.13 0.00 0.00 55.73 55.23 2cub s ARG 12 Cb 0.37 -3.90 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 2cub s ARG 12 CO -0.12 -0.64 0.09 -0.51 -0.81 0.00 0.00 175.30 173.30 2cub s LEU 13 N 1.85 4.00 0.77 -0.88 1.02 -1.23 -4.93 118.68 119.29 2cub s LEU 13 Ca 0.08 -0.86 -0.02 0.00 0.02 0.00 0.00 54.13 53.35 2cub s LEU 13 Cb -0.18 -1.87 0.15 0.00 0.02 0.00 0.00 46.19 44.31 2cub s LEU 13 CO 0.11 -0.24 1.06 -0.31 0.02 0.00 0.00 176.35 176.99 2cub s TYR 14 N 1.46 1.31 -1.04 0.29 1.51 -1.25 -2.48 117.35 117.15 2cub s TYR 14 Ca 0.01 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 2cub s TYR 14 Cb -0.18 -3.12 0.02 0.00 -0.11 0.00 0.00 41.96 38.57 2cub s TYR 14 CO 0.02 -1.94 0.04 -3.47 -1.11 0.00 0.00 175.55 169.09 2cub n ASP 15 N -2.99 0.45 -0.01 2.29 -0.08 0.54 -4.78 116.55 111.96 2cub n ASP 15 Ca 0.16 -0.84 -0.17 0.00 -1.51 0.00 0.00 54.79 52.43 2cub n ASP 15 Cb 0.61 -1.04 -0.08 0.00 2.34 0.00 0.00 41.12 42.94 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 -0.80 0.82 2.14 -2.67 3.38 -1.35 -3.47 115.31 113.36 2cub h LEU 16 Ca -0.43 -0.66 -0.32 0.00 0.09 0.00 0.00 57.88 56.56 2cub h LEU 16 Cb 0.92 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2cub h LEU 16 CO 0.48 1.35 -0.37 -3.20 0.09 0.00 0.00 178.44 176.80 2cub n ASN 17 N -4.03 -4.52 -4.65 -0.43 5.15 0.65 -4.91 115.26 102.52 2cub n ASN 17 Ca -0.08 0.21 -0.42 0.00 -0.60 0.00 0.00 54.58 53.69 2cub n ASN 17 Cb 0.72 -3.91 -0.04 0.00 -0.53 0.00 0.00 39.78 36.02 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2cub s MET 18 N -4.44 4.20 -0.17 1.20 -1.94 -0.67 -4.73 119.30 112.76 2cub s MET 18 Ca 0.00 0.95 -0.29 0.00 -1.71 0.00 0.00 55.69 54.64 2cub s MET 18 Cb 0.00 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.17 2cub s MET 18 CO 0.00 -0.49 1.58 -1.25 -0.01 0.00 0.00 175.02 174.85 2cub s PRO 19 N 2.73 3.95 0.41 2.03 0.04 -1.26 -0.07 135.00 142.83 2cub s PRO 19 Ca 0.35 1.80 0.08 0.00 0.04 0.00 0.00 61.00 63.26 2cub s PRO 19 Cb -0.15 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.38 2cub s PRO 19 CO 0.08 -1.10 0.36 0.00 0.04 0.00 0.00 177.00 176.38 2cub s ALA 20 N 4.67 4.01 -0.20 8.56 0.00 0.11 -1.04 121.76 137.88 2cub s ALA 20 Ca 0.70 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2cub s ALA 20 Cb -0.27 -0.96 0.04 0.00 0.00 0.00 0.00 23.12 21.94 2cub s ALA 20 CO 0.27 -0.21 -0.11 -0.47 0.00 0.00 0.00 175.76 175.24 2cub s TYR 21 N -2.48 2.45 -0.53 0.00 5.04 0.22 -1.03 117.35 121.00 2cub s TYR 21 Ca 0.47 -1.59 -0.27 0.00 -2.44 0.00 0.00 57.07 53.25 2cub s TYR 21 Cb -0.03 -1.66 -0.04 0.00 0.35 0.00 0.00 41.96 40.59 2cub s TYR 21 CO 0.27 -0.75 2.04 0.08 -1.34 0.00 0.00 175.55 175.86 2cub s VAL 22 N 1.39 3.25 0.13 3.14 1.01 -0.24 -0.76 120.40 128.31 2cub s VAL 22 Ca -0.01 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2cub s VAL 22 Cb -0.16 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.45 2cub s VAL 22 CO -0.09 -0.55 1.31 0.11 0.00 0.00 0.00 175.10 175.88 2cub h LYS 23 N 16.22 0.48 -5.95 2.72 1.57 0.54 -1.45 116.57 130.71 2cub h LYS 23 Ca -0.27 -0.49 -0.52 0.00 -1.87 0.00 0.00 60.65 57.50 2cub h LYS 23 Cb 1.20 0.13 -0.21 0.00 0.08 0.00 0.00 32.23 33.43 2cub h LYS 23 CO 1.17 1.13 -0.81 -0.06 -0.57 0.00 0.00 179.45 180.32 2cub s PHE 24 N -3.36 1.68 -0.31 -1.35 0.08 -0.78 -4.66 117.98 109.29 2cub s PHE 24 Ca -0.07 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 2cub s PHE 24 Cb 0.09 -0.91 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2cub s PHE 24 CO 0.87 0.20 1.05 0.54 -0.10 0.00 0.00 175.22 177.79 2cub s ASN 25 N -2.05 6.93 -0.22 1.36 2.20 -1.26 -4.08 114.94 117.82 2cub s ASN 25 Ca 0.07 1.06 -0.07 0.00 -0.94 0.00 0.00 52.86 52.98 2cub s ASN 25 Cb -0.09 -2.53 -0.03 0.00 -2.00 0.00 0.00 41.25 36.60 2cub s ASN 25 CO 0.04 -0.84 0.05 -0.47 -2.94 0.00 0.00 177.10 172.94 2cub s TYR 26 N 3.55 3.10 -0.30 1.54 6.14 0.26 -4.91 117.35 126.73 2cub s TYR 26 Ca 0.44 -0.31 -0.15 0.00 0.64 0.00 0.00 57.07 57.69 2cub s TYR 26 Cb -0.13 -2.15 -0.03 0.00 0.42 0.00 0.00 41.96 40.08 2cub s TYR 26 CO 0.14 -0.20 0.38 0.00 0.64 0.00 0.00 175.55 176.51 2cub s MET 27 N 1.12 3.83 0.28 4.97 0.23 -1.26 0.08 119.30 128.55 2cub s MET 27 Ca 0.04 -0.13 -0.14 0.00 -1.03 0.00 0.00 55.69 54.42 2cub s MET 27 Cb -0.14 -3.72 -0.08 0.00 -1.53 0.00 0.00 34.83 29.35 2cub s MET 27 CO 0.03 -0.39 0.68 0.00 -2.03 0.00 0.00 175.02 173.30 2cub s ALA 28 N 2.08 3.40 0.00 3.16 0.00 -1.26 -4.95 121.76 124.20 2cub s ALA 28 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2cub s ALA 28 Cb -0.16 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2cub s ALA 28 CO 0.11 0.38 0.00 0.39 0.00 0.00 0.00 175.76 176.64 2cub n GLU 29 N -0.12 1.23 -4.40 0.00 1.02 -1.26 -4.92 120.64 112.19 2cub n GLU 29 Ca 0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.83 2cub n GLU 29 Cb 0.53 -0.95 -0.10 0.00 -0.02 0.00 0.00 31.44 30.90 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 -1.82 2.75 0.59 3.49 0.52 -1.26 -4.99 118.95 118.23 2cub s ARG 30 Ca 0.00 -0.60 0.29 0.00 -0.52 0.00 0.00 55.73 54.90 2cub s ARG 30 Cb 0.00 -2.63 1.55 0.00 0.52 0.00 0.00 34.95 34.39 2cub s ARG 30 CO 0.00 0.64 1.98 1.05 0.02 0.00 0.00 175.30 178.99 2cub h GLU 31 N 4.67 0.00 0.00 3.54 9.09 -2.00 0.42 114.58 130.31 2cub h GLU 31 Ca -0.49 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.81 2cub h GLU 31 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.26 2cub h GLU 31 CO 0.55 0.00 -0.50 -0.44 0.05 0.00 0.00 179.01 178.67 2cub h ASP 32 N 0.00 0.00 -3.33 3.06 3.32 -1.94 -3.45 116.42 114.08 2cub h ASP 32 Ca 0.16 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.65 2cub h ASP 32 Cb 0.88 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 2cub h ASP 32 CO -0.00 0.50 -0.14 -1.61 -1.72 0.00 0.00 179.24 176.27 2cub s GLU 33 N -3.11 3.85 0.02 3.56 8.01 0.15 -0.08 118.70 131.09 2cub s GLU 33 Ca 0.03 0.31 0.04 0.00 0.01 0.00 0.00 54.97 55.36 2cub s GLU 33 Cb 0.09 -2.82 -0.03 0.00 -4.31 0.00 0.00 34.13 27.06 2cub s GLU 33 CO 0.73 0.42 -0.09 -1.17 0.01 0.00 0.00 175.26 175.16 2cub s LEU 34 N -2.36 3.04 -0.13 1.80 2.96 -0.99 -4.62 118.68 118.39 2cub s LEU 34 Ca 0.41 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.91 2cub s LEU 34 Cb -0.13 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2cub s LEU 34 CO 0.20 0.27 0.51 -0.55 -1.32 0.00 0.00 176.35 175.46 2cub s SER 35 N -1.48 6.70 -0.08 3.68 0.15 -1.26 -4.41 113.70 116.99 2cub s SER 35 Ca 0.17 0.84 -0.03 0.00 0.70 0.00 0.00 55.95 57.63 2cub s SER 35 Cb -0.11 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 2cub s SER 35 CO 0.08 -0.05 0.03 -0.76 1.20 0.00 0.00 173.24 173.74 2cub s LEU 36 N 0.82 3.73 -0.18 3.45 1.43 0.11 -4.91 118.68 123.13 2cub s LEU 36 Ca 0.27 0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2cub s LEU 36 Cb -0.15 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2cub s LEU 36 CO 0.11 0.38 -0.02 -0.63 0.23 0.00 0.00 176.35 176.42 2cub s ILE 37 N -0.93 3.89 -0.29 -0.59 1.01 -1.26 0.91 121.20 123.94 2cub s ILE 37 Ca 0.14 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 2cub s ILE 37 Cb -0.11 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2cub s ILE 37 CO 0.03 0.46 2.05 -0.75 0.00 0.00 0.00 174.94 176.74 2cub s LYS 38 N 0.71 3.12 0.00 2.79 2.20 -1.26 -2.30 119.74 125.00 2cub s LYS 38 Ca -0.01 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 2cub s LYS 38 Cb -0.14 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 2cub s LYS 38 CO 0.02 -2.11 0.00 0.41 -0.36 0.00 0.00 175.35 173.31 2cub n GLY 39 N 5.65 1.73 3.59 5.54 0.00 -0.54 -4.92 105.19 116.22 2cub n GLY 39 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.85 -0.06 2.61 -4.23 -0.97 -5.00 115.64 106.83 2cub s THR 40 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2cub s THR 40 Cb 0.00 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.50 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 -3.77 2.04 0.45 3.99 2.20 -1.26 -1.08 119.74 122.30 2cub s LYS 41 Ca 0.20 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 2cub s LYS 41 Cb 0.03 -1.68 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 2cub s LYS 41 CO 0.11 0.17 0.16 0.14 -0.36 0.00 0.00 175.35 175.57 2cub s VAL 42 N 0.27 1.99 -0.27 4.02 -7.23 -0.20 -4.92 120.40 114.06 2cub s VAL 42 Ca -0.10 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2cub s VAL 42 Cb -0.14 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.11 2cub s VAL 42 CO 0.04 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.11 2cub s ILE 43 N -2.68 2.18 0.31 -0.62 -1.09 -0.30 0.09 121.20 119.08 2cub s ILE 43 Ca 0.34 -1.71 -0.29 0.00 -2.23 0.00 0.00 60.65 56.76 2cub s ILE 43 Cb 0.04 -2.32 -0.10 0.00 -1.58 0.00 0.00 42.46 38.50 2cub s ILE 43 CO 0.19 -0.09 1.14 -0.69 -1.23 0.00 0.00 174.94 174.26 2cub s VAL 44 N 1.08 3.34 0.00 2.92 1.01 0.89 0.71 120.40 130.35 2cub s VAL 44 Ca -0.07 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.22 2cub s VAL 44 Cb -0.20 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2cub s VAL 44 CO -0.05 0.28 0.00 0.23 0.00 0.00 0.00 175.10 175.56 2cub n MET 45 N 0.94 2.16 -3.84 2.72 2.81 0.62 0.24 117.12 122.78 2cub n MET 45 Ca -0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 2cub n MET 45 Cb 0.45 -0.82 -0.11 0.00 -0.71 0.00 0.00 33.22 32.02 2cub n MET 45 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cub s GLU 46 N -1.64 0.29 -0.08 0.03 2.12 0.51 0.20 118.70 120.14 2cub s GLU 46 Ca 0.00 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2cub s GLU 46 Cb 0.00 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.54 2cub s GLU 46 CO 0.00 -0.06 -0.08 0.15 -0.54 0.00 0.00 175.26 174.74 2cub s LYS 47 N -0.49 1.36 -0.24 4.30 1.02 -1.03 0.03 119.74 124.69 2cub s LYS 47 Ca -0.06 -0.23 -0.09 0.00 0.02 0.00 0.00 55.97 55.61 2cub s LYS 47 Cb -0.04 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 2cub s LYS 47 CO 0.01 -0.16 0.12 0.00 -0.92 0.00 0.00 175.35 174.40 2cub n SER 49 N 4.58 -0.15 -0.29 0.00 7.64 -1.26 -0.07 113.62 124.06 2cub n SER 49 Ca -0.15 1.54 0.02 0.00 1.01 0.00 0.00 58.87 61.28 2cub n SER 49 Cb 0.52 -0.54 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 2cub n SER 49 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2cub n ASP 50 N -5.36 -0.41 0.00 6.43 8.00 -1.26 -4.78 116.55 119.17 2cub n ASP 50 Ca 0.20 1.35 0.00 0.00 0.71 0.00 0.00 54.79 57.04 2cub n ASP 50 Cb 0.64 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2cub n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cub n GLY 51 N -1.42 1.72 3.76 0.44 0.00 0.90 -5.13 105.19 105.46 2cub n GLY 51 Ca 0.10 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 3.46 0.35 1.61 0.52 -1.25 -3.59 118.94 120.05 2cub s TRP 52 Ca 0.00 1.62 0.08 0.00 0.02 0.00 0.00 56.10 57.82 2cub s TRP 52 Cb 0.00 -3.37 -0.05 0.00 -1.15 0.00 0.00 33.47 28.90 2cub s TRP 52 CO 0.00 -0.86 0.09 -1.58 0.02 0.00 0.00 176.95 174.62 2cub s TRP 53 N -1.06 2.62 -0.20 -1.98 0.52 0.10 -2.28 118.94 116.66 2cub s TRP 53 Ca 0.46 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 56.11 2cub s TRP 53 Cb -0.34 -1.63 0.06 0.00 -1.15 0.00 0.00 33.47 30.41 2cub s TRP 53 CO 0.43 0.37 0.03 0.50 0.02 0.00 0.00 176.95 178.30 2cub s ARG 54 N -3.80 0.72 0.00 4.98 3.52 0.11 -0.23 118.95 124.25 2cub s ARG 54 Ca 0.37 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 2cub s ARG 54 Cb -0.00 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 2cub s ARG 54 CO 0.21 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 2cub n GLY 55 N 5.02 5.88 3.04 8.12 0.00 -1.17 -0.27 105.19 125.81 2cub n GLY 55 Ca -0.09 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 1.00 0.71 -0.25 1.61 0.15 0.22 -3.12 113.70 114.01 2cub s SER 56 Ca 0.00 -0.55 -0.02 0.00 0.70 0.00 0.00 55.95 56.08 2cub s SER 56 Cb 0.00 0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.50 2cub s SER 56 CO 0.00 -0.23 0.39 -0.47 1.20 0.00 0.00 173.24 174.13 2cub s TYR 57 N -1.44 -0.88 -0.93 3.44 5.04 -0.20 -1.15 117.35 121.23 2cub s TYR 57 Ca -0.11 0.80 -0.04 0.00 -2.44 0.00 0.00 57.07 55.28 2cub s TYR 57 Cb -0.10 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.24 2cub s TYR 57 CO -0.00 -0.76 0.55 -1.71 -1.34 0.00 0.00 175.55 172.29 2cub n ASN 58 N 5.37 -4.61 0.00 4.32 2.85 -1.26 -2.21 115.26 119.72 2cub n ASN 58 Ca -0.03 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 2cub n ASN 58 Cb 0.50 -3.35 0.00 0.00 1.24 0.00 0.00 39.78 38.17 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 -1.34 2.28 3.91 8.20 0.00 -1.26 -5.02 105.19 111.96 2cub n GLY 59 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.22 3.51 -0.05 1.61 -0.21 -0.94 -5.10 119.66 118.26 2cub s GLN 60 Ca 0.00 0.14 -0.03 0.00 0.02 0.00 0.00 55.36 55.49 2cub s GLN 60 Cb 0.00 -2.40 0.02 0.00 1.00 0.00 0.00 33.01 31.64 2cub s GLN 60 CO 0.00 -0.20 0.12 0.08 -2.12 0.00 0.00 175.29 173.17 2cub s VAL 61 N -2.72 -0.02 0.04 1.09 1.01 -1.26 -1.03 120.40 117.52 2cub s VAL 61 Ca 0.47 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 2cub s VAL 61 Cb -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 36.38 36.14 2cub s VAL 61 CO 0.44 0.03 0.61 0.61 0.00 0.00 0.00 175.10 176.79 2cub n GLY 62 N 3.43 0.67 3.68 4.51 0.00 -1.18 -4.79 105.19 111.51 2cub n GLY 62 Ca -0.17 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.23 3.34 0.02 1.61 0.52 0.88 -3.03 118.94 119.05 2cub s TRP 63 Ca 0.14 0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.49 2cub s TRP 63 Cb -0.01 -2.20 -0.02 0.00 -1.15 0.00 0.00 33.47 30.09 2cub s TRP 63 CO 0.01 0.15 -0.04 -0.59 0.02 0.00 0.00 176.95 176.51 2cub s PHE 64 N 0.70 0.32 -0.17 -1.98 -0.12 0.68 -2.34 117.98 115.07 2cub s PHE 64 Ca 0.07 -0.50 -0.29 0.00 -0.05 0.00 0.00 56.93 56.16 2cub s PHE 64 Cb -0.12 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 2cub s PHE 64 CO 0.01 -0.16 1.58 -1.25 -0.05 0.00 0.00 175.22 175.35 2cub s PRO 65 N -1.40 3.94 0.51 1.99 0.04 -1.26 0.03 135.00 138.86 2cub s PRO 65 Ca -0.14 1.78 0.18 0.00 0.04 0.00 0.00 61.00 62.86 2cub s PRO 65 Cb -0.09 -3.99 1.27 0.00 0.04 0.00 0.00 34.50 31.72 2cub s PRO 65 CO -0.01 -1.11 2.10 0.66 0.04 0.00 0.00 177.00 178.68 2cub h SER 66 N 10.10 0.04 -0.16 6.66 4.64 -1.90 -0.73 113.55 132.22 2cub h SER 66 Ca -0.34 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.03 2cub h SER 66 Cb 1.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2cub h SER 66 CO 0.99 0.03 0.30 0.78 -0.87 0.00 0.00 176.83 178.05 2cub h ASN 67 N 0.05 0.00 1.24 4.97 4.21 -1.90 0.49 115.58 124.65 2cub h ASN 67 Ca 0.08 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.57 2cub h ASN 67 Cb 0.25 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.45 2cub h ASN 67 CO -0.01 0.00 -0.77 1.88 -1.29 0.00 0.00 177.43 177.25 2cub h TYR 68 N 0.00 0.00 -1.70 1.19 -1.99 -1.49 -3.47 116.97 109.50 2cub h TYR 68 Ca 0.07 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.23 2cub h TYR 68 Cb 0.67 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.30 2cub h TYR 68 CO 0.00 0.07 -0.54 0.14 -0.00 0.00 0.00 178.16 177.83 2cub s VAL 69 N -3.27 2.42 -0.02 -2.88 -7.23 0.17 0.11 120.40 109.70 2cub s VAL 69 Ca 0.01 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2cub s VAL 69 Cb 0.08 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 34.08 2cub s VAL 69 CO 0.76 -0.06 0.05 0.28 -0.31 0.00 0.00 175.10 175.82 2cub s THR 70 N -2.58 -0.01 -0.09 5.32 -1.32 0.06 -4.84 115.64 112.19 2cub s THR 70 Ca 0.39 0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.61 2cub s THR 70 Cb 0.03 -0.08 -0.07 0.00 -1.51 0.00 0.00 72.50 70.87 2cub s THR 70 CO 0.21 0.02 2.10 -1.61 -2.21 0.00 0.00 174.62 173.13 2cub s GLU 71 N 0.22 3.64 -0.51 7.08 2.02 -1.26 0.69 118.70 130.58 2cub s GLU 71 Ca -0.02 2.34 -0.17 0.00 0.02 0.00 0.00 54.97 57.14 2cub s GLU 71 Cb -0.03 -4.27 0.09 0.00 0.10 0.00 0.00 34.13 30.02 2cub s GLU 71 CO -0.01 -1.53 0.49 -2.00 0.02 0.00 0.00 175.26 172.23 2cub s GLU 72 N 5.41 3.01 -0.75 1.61 2.56 -0.20 -4.89 118.70 125.45 2cub s GLU 72 Ca 0.95 -1.35 -0.26 0.00 0.00 0.00 0.00 54.97 54.31 2cub s GLU 72 Cb -0.38 -4.18 -0.05 0.00 2.00 0.00 0.00 34.13 31.52 2cub s GLU 72 CO 0.39 -1.18 2.01 0.20 -0.56 0.00 0.00 175.26 176.11 2cub s GLY 73 N 2.94 0.02 -0.73 -1.50 0.00 -1.26 -4.66 107.32 102.13 2cub s GLY 73 Ca 0.06 -0.99 -0.25 0.00 0.00 0.00 0.00 44.72 43.54 2cub s GLY 73 CO 0.07 3.60 2.46 1.34 0.00 0.00 0.00 173.10 180.57 2cub n ASP 74 N 14.24 1.30 -4.79 1.64 2.03 -1.26 -4.90 116.55 124.82 2cub n ASP 74 Ca 0.33 -0.53 -0.36 0.00 0.52 0.00 0.00 54.79 54.75 2cub n ASP 74 Cb 0.49 -1.32 -0.05 0.00 -0.72 0.00 0.00 41.12 39.52 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 9.89 7.02 0.06 1.67 0.15 -1.26 -5.00 113.70 126.23 2cub s SER 75 Ca 1.10 1.92 -0.31 0.00 0.70 0.00 0.00 55.95 59.37 2cub s SER 75 Cb -0.51 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.15 2cub s SER 75 CO 0.32 -0.30 1.40 -2.16 1.20 0.00 0.00 173.24 173.70 2cub s PRO 76 N -2.38 4.30 0.33 5.44 0.04 -1.26 -5.01 135.00 136.47 2cub s PRO 76 Ca 0.55 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.41 2cub s PRO 76 Cb -0.19 -3.43 -0.10 0.00 0.04 0.00 0.00 34.50 30.82 2cub s PRO 76 CO 0.25 -0.51 0.84 -0.51 0.04 0.00 0.00 177.00 177.11 2cub s LEU 77 N 1.80 4.14 0.30 -3.56 1.02 -1.26 -5.08 118.68 116.04 2cub s LEU 77 Ca 0.65 1.55 0.09 0.00 0.02 0.00 0.00 54.13 56.44 2cub s LEU 77 Cb -0.34 -4.11 -0.05 0.00 0.02 0.00 0.00 46.19 41.71 2cub s LEU 77 CO 0.29 -0.18 -0.00 -0.83 0.02 0.00 0.00 176.35 175.65 2cub s GLY 78 N -1.99 1.86 0.24 -3.19 0.00 -1.26 -5.00 107.32 97.98 2cub s GLY 78 Ca 0.53 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 43.50 2cub s GLY 78 CO 0.18 -1.81 1.15 2.09 0.00 0.00 0.00 173.10 174.71 2cub n ASP 79 N -0.92 -0.01 -3.73 1.64 5.68 -1.26 -4.75 116.55 113.21 2cub n ASP 79 Ca -0.05 1.24 -0.27 0.00 -0.50 0.00 0.00 54.79 55.21 2cub n ASP 79 Cb 0.60 -0.48 0.06 0.00 -1.14 0.00 0.00 41.12 40.16 2cub n ASP 79 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2cub n HIS 80 N -4.93 -2.64 -4.22 2.11 8.25 -1.26 -4.97 115.22 107.56 2cub n HIS 80 Ca 0.20 0.97 -0.34 0.00 -0.26 0.00 0.00 57.72 58.28 2cub n HIS 80 Cb 0.65 -4.59 -0.12 0.00 1.12 0.00 0.00 29.99 27.05 2cub n HIS 80 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2cub s VAL 81 N -3.31 3.99 0.00 1.59 1.01 -1.26 -4.95 120.40 117.47 2cub s VAL 81 Ca 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2cub s VAL 81 Cb -0.29 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2cub s VAL 81 CO 0.77 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.94 2cub n GLY 82 N 3.87 0.00 0.30 4.51 0.00 -1.26 -4.82 105.19 107.78 2cub n GLY 82 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 2cub n GLY 82 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cub h SER 83 N 0.00 -0.26 0.00 1.61 0.87 -2.04 -3.47 113.55 110.26 2cub h SER 83 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2cub h SER 83 Cb 0.57 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2cub h SER 83 CO 0.00 -0.19 0.00 0.61 -0.53 0.00 0.00 176.83 176.72 2cub n GLY 84 N -1.42 -1.25 3.59 5.77 0.00 -1.26 -4.73 105.19 105.89 2cub n GLY 84 Ca 0.17 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 3.27 -0.11 1.61 0.04 -1.26 -4.89 135.00 133.67 2cub s PRO 85 Ca 0.00 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 2cub s PRO 85 Cb 0.00 -4.19 -0.15 0.00 0.04 0.00 0.00 34.50 30.19 2cub s PRO 85 CO 0.00 -1.93 0.53 0.77 0.04 0.00 0.00 177.00 176.41 2cub h SER 86 N 12.74 -0.03 -4.61 6.66 0.02 -2.02 -3.48 113.55 122.83 2cub h SER 86 Ca -0.31 -0.54 -0.30 0.00 -0.84 0.00 0.00 61.79 59.80 2cub h SER 86 Cb 1.15 0.01 0.10 0.00 0.14 0.00 0.00 62.40 63.81 2cub h SER 86 CO 1.07 0.71 -0.51 -0.24 -1.14 0.00 0.00 176.83 176.73 2cub n SER 87 N -4.73 -5.16 -0.80 3.07 2.88 -1.26 -5.29 113.62 102.32 2cub n SER 87 Ca -0.06 -0.40 0.10 0.00 -1.33 0.00 0.00 58.87 57.18 2cub n SER 87 Cb 0.28 -3.88 0.08 0.00 -0.75 0.00 0.00 64.21 59.95 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42