#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 4.85 0.02 1.61 0.01 -1.26 -5.12 113.70 113.81 2cub s SER 2 Ca 0.00 -0.21 -0.28 0.00 1.31 0.00 0.00 55.95 56.76 2cub s SER 2 Cb 0.00 -1.11 0.10 0.00 0.21 0.00 0.00 66.02 65.21 2cub s SER 2 CO 0.00 0.19 0.96 -0.94 0.41 0.00 0.00 173.24 173.87 2cub s SER 3 N -2.15 -0.27 0.00 2.44 1.04 -1.26 -5.11 113.70 108.38 2cub s SER 3 Ca 0.24 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2cub s SER 3 Cb -0.11 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2cub s SER 3 CO 0.16 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2cub n GLY 4 N -0.30 -1.89 3.15 7.32 0.00 -1.26 -5.15 105.19 107.05 2cub n GLY 4 Ca -0.07 0.90 -0.10 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.01 -0.55 1.61 0.01 -1.26 -5.11 113.70 108.40 2cub s SER 5 Ca 0.00 0.78 -0.27 0.00 1.31 0.00 0.00 55.95 57.77 2cub s SER 5 Cb 0.00 1.14 -0.01 0.00 0.21 0.00 0.00 66.02 67.36 2cub s SER 5 CO 0.00 -0.24 1.74 -0.94 0.41 0.00 0.00 173.24 174.21 2cub s SER 6 N 2.55 5.59 0.00 2.44 1.04 -1.26 -4.71 113.70 119.36 2cub s SER 6 Ca 0.01 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2cub s SER 6 Cb -0.12 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2cub s SER 6 CO -0.12 -2.09 0.00 0.61 0.98 0.00 0.00 173.24 172.62 2cub n GLY 7 N 5.54 0.00 3.76 7.32 0.00 -1.26 -5.07 105.19 115.49 2cub n GLY 7 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.48 4.66 0.45 1.61 1.11 -1.26 -5.00 116.67 113.75 2cub s ASP 8 Ca 0.00 1.91 -0.23 0.00 0.18 0.00 0.00 52.55 54.41 2cub s ASP 8 Cb 0.00 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.38 2cub s ASP 8 CO 0.00 -1.93 1.17 -2.16 1.18 0.00 0.00 175.17 173.43 2cub s PRO 9 N -4.59 3.82 0.67 8.23 0.04 -1.26 -4.97 135.00 136.94 2cub s PRO 9 Ca 0.64 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.30 2cub s PRO 9 Cb -0.19 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 2cub s PRO 9 CO 0.51 -0.51 0.61 0.41 0.04 0.00 0.00 177.00 178.06 2cub n GLY 10 N 0.48 -1.31 3.59 0.56 0.00 -1.26 -4.80 105.19 102.45 2cub n GLY 10 Ca 0.07 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2cub n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cub s GLU 11 N -2.63 3.09 -0.22 1.61 8.01 -1.26 -4.95 118.70 122.35 2cub s GLU 11 Ca 0.68 1.51 -0.20 0.00 0.01 0.00 0.00 54.97 56.98 2cub s GLU 11 Cb -0.38 -4.30 -0.03 0.00 -4.31 0.00 0.00 34.13 25.11 2cub s GLU 11 CO 0.55 -2.14 0.58 -0.98 0.01 0.00 0.00 175.26 173.27 2cub s ARG 12 N 6.23 4.17 -0.14 1.61 1.70 -1.26 -5.02 118.95 126.24 2cub s ARG 12 Ca 0.86 0.50 0.01 0.00 -0.47 0.00 0.00 55.73 56.63 2cub s ARG 12 Cb -0.24 -3.59 -0.00 0.00 -0.57 0.00 0.00 34.95 30.55 2cub s ARG 12 CO 0.32 -0.25 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.61 2cub s LEU 13 N 1.97 2.44 0.31 -1.89 2.01 -1.26 -5.11 118.68 117.15 2cub s LEU 13 Ca 0.26 -0.47 -0.00 0.00 0.01 0.00 0.00 54.13 53.92 2cub s LEU 13 Cb -0.16 -1.54 -0.01 0.00 0.01 0.00 0.00 46.19 44.49 2cub s LEU 13 CO 0.10 0.10 0.37 -0.72 1.01 0.00 0.00 176.35 177.21 2cub s TYR 14 N 0.69 1.21 -1.62 0.29 1.13 -1.26 -2.55 117.35 115.24 2cub s TYR 14 Ca -0.08 -1.36 -0.18 0.00 -1.41 0.00 0.00 57.07 54.04 2cub s TYR 14 Cb -0.16 -0.30 0.18 0.00 -1.10 0.00 0.00 41.96 40.59 2cub s TYR 14 CO 0.02 -0.98 0.46 -0.25 -2.51 0.00 0.00 175.55 172.28 2cub n ASP 15 N -1.20 -1.28 0.04 -0.18 8.00 0.60 -4.80 116.55 117.73 2cub n ASP 15 Ca 0.03 -1.10 -0.12 0.00 0.71 0.00 0.00 54.79 54.30 2cub n ASP 15 Cb 0.62 -1.41 -0.09 0.00 -0.02 0.00 0.00 41.12 40.23 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2cub h LEU 16 N -0.86 -0.14 0.11 0.64 4.07 -1.54 -3.48 115.31 114.12 2cub h LEU 16 Ca -0.53 -0.40 -0.12 0.00 0.08 0.00 0.00 57.88 56.90 2cub h LEU 16 Cb 1.22 0.04 0.01 0.00 1.08 0.00 0.00 40.66 43.01 2cub h LEU 16 CO 0.77 0.38 -0.18 -3.20 -1.08 0.00 0.00 178.44 175.13 2cub n ASN 17 N -4.92 -2.84 -4.64 -0.43 2.85 0.33 -4.99 115.26 100.62 2cub n ASN 17 Ca -0.08 -0.07 -0.41 0.00 -0.11 0.00 0.00 54.58 53.91 2cub n ASN 17 Cb 0.27 -1.84 -0.06 0.00 1.24 0.00 0.00 39.78 39.39 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2cub s MET 18 N -4.77 4.17 -0.15 1.20 -1.94 -0.53 -4.75 119.30 112.53 2cub s MET 18 Ca 0.07 0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 54.44 2cub s MET 18 Cb -0.03 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 2cub s MET 18 CO 0.09 -0.36 1.56 -1.25 -0.01 0.00 0.00 175.02 175.05 2cub s PRO 19 N 2.32 4.01 0.32 2.03 0.04 -1.26 -0.09 135.00 142.37 2cub s PRO 19 Ca 0.29 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.26 2cub s PRO 19 Cb -0.16 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 2cub s PRO 19 CO 0.09 -1.04 0.16 0.00 0.04 0.00 0.00 177.00 176.26 2cub s ALA 20 N 4.50 3.54 -0.20 8.56 0.00 0.10 -0.95 121.76 137.30 2cub s ALA 20 Ca 0.69 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2cub s ALA 20 Cb -0.27 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.01 2cub s ALA 20 CO 0.27 0.07 -0.14 -0.47 0.00 0.00 0.00 175.76 175.49 2cub s TYR 21 N -2.36 2.72 -0.52 0.00 5.04 0.27 -0.45 117.35 122.04 2cub s TYR 21 Ca 0.37 -1.74 -0.27 0.00 -2.44 0.00 0.00 57.07 52.99 2cub s TYR 21 Cb -0.04 -1.80 -0.04 0.00 0.35 0.00 0.00 41.96 40.43 2cub s TYR 21 CO 0.23 -0.79 2.03 0.08 -1.34 0.00 0.00 175.55 175.76 2cub s VAL 22 N 1.30 3.26 0.13 3.14 1.01 -0.82 -0.77 120.40 127.65 2cub s VAL 22 Ca -0.00 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2cub s VAL 22 Cb -0.16 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.44 2cub s VAL 22 CO -0.09 -0.54 1.30 0.11 0.00 0.00 0.00 175.10 175.87 2cub h LYS 23 N 16.03 0.24 -5.04 2.72 1.57 0.43 -2.06 116.57 130.45 2cub h LYS 23 Ca -0.27 -0.30 -0.47 0.00 -1.87 0.00 0.00 60.65 57.74 2cub h LYS 23 Cb 1.20 0.10 -0.30 0.00 0.08 0.00 0.00 32.23 33.30 2cub h LYS 23 CO 1.17 1.05 -0.80 -0.06 -0.57 0.00 0.00 179.45 180.23 2cub s PHE 24 N -3.06 1.19 -0.22 -1.35 0.08 -0.78 -4.72 117.98 109.11 2cub s PHE 24 Ca -0.03 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 2cub s PHE 24 Cb 0.09 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.73 2cub s PHE 24 CO 0.85 -0.06 1.54 0.54 -0.10 0.00 0.00 175.22 177.99 2cub s ASN 25 N -0.14 6.47 0.02 1.36 2.20 -1.26 -4.40 114.94 119.19 2cub s ASN 25 Ca 0.02 1.58 -0.13 0.00 -0.94 0.00 0.00 52.86 53.39 2cub s ASN 25 Cb -0.07 -2.53 -0.06 0.00 -2.00 0.00 0.00 41.25 36.59 2cub s ASN 25 CO 0.00 -1.19 0.39 -0.47 -2.94 0.00 0.00 177.10 172.89 2cub s TYR 26 N 4.92 3.68 -0.44 1.54 5.04 -0.91 -4.92 117.35 126.26 2cub s TYR 26 Ca 0.68 0.91 -0.06 0.00 -2.44 0.00 0.00 57.07 56.16 2cub s TYR 26 Cb -0.24 -2.23 0.11 0.00 0.35 0.00 0.00 41.96 39.96 2cub s TYR 26 CO 0.27 0.62 0.27 0.00 -1.34 0.00 0.00 175.55 175.37 2cub s MET 27 N -1.31 2.21 0.40 4.97 0.23 -1.26 -2.61 119.30 121.93 2cub s MET 27 Ca 0.26 -1.80 -0.22 0.00 -1.03 0.00 0.00 55.69 52.90 2cub s MET 27 Cb -0.16 -3.73 -0.11 0.00 -1.53 0.00 0.00 34.83 29.30 2cub s MET 27 CO 0.14 -1.13 0.94 0.00 -2.03 0.00 0.00 175.02 172.94 2cub s ALA 28 N 1.24 3.09 0.00 3.16 0.00 -1.26 -4.97 121.76 123.02 2cub s ALA 28 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2cub s ALA 28 Cb -0.24 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2cub s ALA 28 CO -0.03 0.15 0.00 0.39 0.00 0.00 0.00 175.76 176.27 2cub n GLU 29 N -0.37 0.62 -4.52 0.00 1.02 -1.26 -4.93 120.64 111.19 2cub n GLU 29 Ca 0.06 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 2cub n GLU 29 Cb 0.53 -0.95 -0.11 0.00 -0.02 0.00 0.00 31.44 30.89 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 -1.89 2.70 0.35 3.49 0.52 -1.26 -5.01 118.95 117.85 2cub s ARG 30 Ca 0.00 -0.60 0.11 0.00 -0.52 0.00 0.00 55.73 54.72 2cub s ARG 30 Cb 0.00 -2.58 0.90 0.00 0.52 0.00 0.00 34.95 33.79 2cub s ARG 30 CO 0.00 0.64 1.79 1.49 0.02 0.00 0.00 175.30 179.24 2cub h GLU 31 N 4.91 0.58 -0.01 3.54 4.81 -1.99 0.45 114.58 126.86 2cub h GLU 31 Ca -0.49 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 2cub h GLU 31 Cb 1.17 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2cub h GLU 31 CO 0.53 0.38 -0.10 0.38 -0.73 0.00 0.00 179.01 179.47 2cub h ASP 32 N 0.60 0.01 -3.58 1.04 3.04 -1.95 -3.43 116.42 112.15 2cub h ASP 32 Ca 0.57 -0.00 -0.50 0.00 -3.24 0.00 0.00 57.03 53.85 2cub h ASP 32 Cb 1.11 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 2cub h ASP 32 CO -0.33 0.12 0.06 -1.61 -2.04 0.00 0.00 179.24 175.44 2cub s GLU 33 N -4.82 3.75 0.12 4.15 0.41 0.16 0.17 118.70 122.64 2cub s GLU 33 Ca -0.04 0.37 0.09 0.00 -0.41 0.00 0.00 54.97 54.97 2cub s GLU 33 Cb 0.16 -2.45 -0.04 0.00 -1.78 0.00 0.00 34.13 30.02 2cub s GLU 33 CO 0.69 0.03 -0.19 -1.17 -0.49 0.00 0.00 175.26 174.13 2cub s LEU 34 N -3.75 2.67 -0.38 1.80 2.96 -0.99 -4.59 118.68 116.39 2cub s LEU 34 Ca 0.50 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 2cub s LEU 34 Cb -0.10 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.08 2cub s LEU 34 CO 0.31 0.17 0.35 -0.94 -1.32 0.00 0.00 176.35 174.92 2cub s SER 35 N -2.20 6.15 0.50 3.68 1.04 -1.26 -4.28 113.70 117.34 2cub s SER 35 Ca 0.18 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 2cub s SER 35 Cb -0.10 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2cub s SER 35 CO 0.10 -0.43 0.83 -0.76 0.98 0.00 0.00 173.24 173.96 2cub s LEU 36 N 1.93 3.56 -0.10 2.42 1.43 -1.07 -4.89 118.68 121.96 2cub s LEU 36 Ca 0.09 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2cub s LEU 36 Cb -0.17 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.08 2cub s LEU 36 CO 0.12 -0.62 -0.09 -0.63 0.23 0.00 0.00 176.35 175.35 2cub s ILE 37 N -2.81 1.05 -0.25 -0.59 1.01 -1.26 -2.14 121.20 116.21 2cub s ILE 37 Ca 0.49 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 2cub s ILE 37 Cb -0.10 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 2cub s ILE 37 CO 0.46 0.36 2.25 -0.75 0.00 0.00 0.00 174.94 177.26 2cub s LYS 38 N 1.37 2.99 0.00 2.79 2.20 -1.26 -2.32 119.74 125.51 2cub s LYS 38 Ca -0.01 1.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 2cub s LYS 38 Cb -0.14 -4.40 0.00 0.00 -1.51 0.00 0.00 37.83 31.78 2cub s LYS 38 CO -0.04 -2.27 0.00 0.41 -0.36 0.00 0.00 175.35 173.09 2cub n GLY 39 N 5.81 1.87 2.27 5.54 0.00 -0.77 -4.93 105.19 114.98 2cub n GLY 39 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.31 0.00 -4.15 2.61 -2.24 -0.98 -5.02 114.28 104.18 2cub n THR 40 Ca 0.00 -1.64 -0.17 0.00 -2.27 0.00 0.00 64.05 59.97 2cub n THR 40 Cb 0.00 0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.03 0.53 0.45 -0.78 2.20 -1.26 -1.95 119.74 115.90 2cub s LYS 41 Ca 0.17 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.68 2cub s LYS 41 Cb 0.01 -0.54 -0.05 0.00 -1.51 0.00 0.00 37.83 35.74 2cub s LYS 41 CO 0.12 0.04 0.01 0.14 -0.36 0.00 0.00 175.35 175.31 2cub s VAL 42 N 0.25 1.56 -0.28 4.02 -7.23 0.41 -4.94 120.40 114.19 2cub s VAL 42 Ca -0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2cub s VAL 42 Cb -0.07 -2.62 0.07 0.00 0.56 0.00 0.00 36.38 34.32 2cub s VAL 42 CO -0.00 0.00 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.10 2cub s ILE 43 N -2.83 2.26 0.05 -0.62 -1.09 -1.14 0.03 121.20 117.86 2cub s ILE 43 Ca 0.23 -1.79 -0.31 0.00 -2.23 0.00 0.00 60.65 56.55 2cub s ILE 43 Cb 0.06 -2.42 -0.06 0.00 -1.58 0.00 0.00 42.46 38.46 2cub s ILE 43 CO 0.12 -0.18 1.32 -0.69 -1.23 0.00 0.00 174.94 174.28 2cub s VAL 44 N 1.06 3.72 -0.06 2.92 1.01 0.87 -1.84 120.40 128.08 2cub s VAL 44 Ca -0.04 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.15 2cub s VAL 44 Cb -0.20 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2cub s VAL 44 CO -0.05 0.06 -0.03 0.23 0.00 0.00 0.00 175.10 175.30 2cub n MET 45 N 4.47 1.36 -4.10 2.72 2.81 0.73 0.12 117.12 125.23 2cub n MET 45 Ca 0.11 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 2cub n MET 45 Cb 0.44 -1.14 -0.11 0.00 -0.71 0.00 0.00 33.22 31.70 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 -2.14 0.64 -0.03 0.03 2.02 -0.58 0.22 118.70 118.87 2cub s GLU 46 Ca -0.07 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.02 2cub s GLU 46 Cb 0.02 -0.36 0.01 0.00 0.10 0.00 0.00 34.13 33.90 2cub s GLU 46 CO 0.19 0.06 -0.06 0.15 0.02 0.00 0.00 175.26 175.61 2cub s LYS 47 N -2.10 0.77 0.25 1.61 1.02 -1.06 -0.70 119.74 119.53 2cub s LYS 47 Ca -0.04 -0.19 0.05 0.00 0.02 0.00 0.00 55.97 55.81 2cub s LYS 47 Cb -0.07 -0.75 -0.03 0.00 -0.52 0.00 0.00 37.83 36.47 2cub s LYS 47 CO -0.00 0.03 0.38 0.00 -0.92 0.00 0.00 175.35 174.84 2cub h SER 49 N 1.13 -0.22 -0.76 0.00 0.02 -1.95 -3.34 113.55 108.43 2cub h SER 49 Ca -0.52 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.60 2cub h SER 49 Cb 1.23 0.06 -0.14 0.00 0.14 0.00 0.00 62.40 63.68 2cub h SER 49 CO 0.61 0.23 -0.18 0.47 -1.14 0.00 0.00 176.83 176.82 2cub n ASP 50 N -4.89 -0.26 0.00 3.07 9.92 -1.26 -4.64 116.55 118.49 2cub n ASP 50 Ca -0.03 1.30 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2cub n ASP 50 Cb 0.10 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 2cub n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cub n GLY 51 N -1.47 0.00 3.24 0.44 0.00 -1.25 -5.16 105.19 100.99 2cub n GLY 51 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 2.31 0.36 1.61 0.52 -1.26 -4.25 118.94 118.23 2cub s TRP 52 Ca 0.00 -0.68 0.08 0.00 0.02 0.00 0.00 56.10 55.51 2cub s TRP 52 Cb 0.00 -1.52 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 2cub s TRP 52 CO 0.00 -0.21 0.23 -1.58 0.02 0.00 0.00 176.95 175.41 2cub s TRP 53 N -0.13 2.74 -0.07 -1.98 0.52 0.48 0.47 118.94 120.97 2cub s TRP 53 Ca -0.04 -0.41 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 2cub s TRP 53 Cb -0.13 -1.82 0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2cub s TRP 53 CO 0.03 0.19 0.09 0.50 0.02 0.00 0.00 176.95 177.79 2cub s ARG 54 N -3.94 -0.03 0.00 4.98 3.52 0.12 -0.05 118.95 123.55 2cub s ARG 54 Ca 0.41 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 2cub s ARG 54 Cb -0.03 -0.62 0.00 0.00 -1.56 0.00 0.00 34.95 32.75 2cub s ARG 54 CO 0.25 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 2cub n GLY 55 N 5.30 4.25 3.28 8.12 0.00 -1.12 -0.19 105.19 124.83 2cub n GLY 55 Ca -0.04 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.33 2.48 -0.26 1.61 0.15 -0.77 -2.76 113.70 113.82 2cub s SER 56 Ca 0.00 -0.68 -0.01 0.00 0.70 0.00 0.00 55.95 55.96 2cub s SER 56 Cb 0.00 -0.14 0.15 0.00 -1.71 0.00 0.00 66.02 64.32 2cub s SER 56 CO 0.00 0.05 0.43 -0.47 1.20 0.00 0.00 173.24 174.45 2cub s TYR 57 N -1.16 -1.02 -0.96 3.44 5.04 0.55 -2.88 117.35 120.37 2cub s TYR 57 Ca 0.06 0.87 -0.05 0.00 -2.44 0.00 0.00 57.07 55.51 2cub s TYR 57 Cb -0.10 0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.29 2cub s TYR 57 CO 0.04 -0.81 0.60 -1.71 -1.34 0.00 0.00 175.55 172.32 2cub n ASN 58 N 5.37 -4.74 0.00 4.32 2.85 -1.26 -2.26 115.26 119.54 2cub n ASN 58 Ca -0.02 -0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 2cub n ASN 58 Cb 0.50 -3.46 0.00 0.00 1.24 0.00 0.00 39.78 38.06 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 -1.38 2.94 3.87 8.20 0.00 -1.26 -5.01 105.19 112.55 2cub n GLY 59 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.32 3.73 -0.03 1.61 1.11 -0.96 -5.08 119.66 119.73 2cub s GLN 60 Ca 0.00 0.57 -0.02 0.00 0.01 0.00 0.00 55.36 55.92 2cub s GLN 60 Cb 0.00 -2.27 0.01 0.00 -1.01 0.00 0.00 33.01 29.74 2cub s GLN 60 CO 0.00 -0.22 0.07 0.08 0.01 0.00 0.00 175.29 175.23 2cub s VAL 61 N -2.65 -0.01 0.09 1.09 1.01 -1.26 -0.33 120.40 118.33 2cub s VAL 61 Ca 0.53 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 2cub s VAL 61 Cb -0.10 -0.11 0.09 0.00 0.00 0.00 0.00 36.38 36.25 2cub s VAL 61 CO 0.38 0.02 1.15 -0.83 0.00 0.00 0.00 175.10 175.83 2cub s GLY 62 N 0.32 -0.03 -0.07 4.51 0.00 -1.11 -4.78 107.32 106.16 2cub s GLY 62 Ca -0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.45 2cub s GLY 62 CO -0.01 3.42 0.38 -0.98 0.00 0.00 0.00 173.10 175.91 2cub s TRP 63 N -2.17 3.62 0.01 1.90 0.52 0.13 -2.80 118.94 120.14 2cub s TRP 63 Ca 0.24 0.86 -0.08 0.00 0.02 0.00 0.00 56.10 57.14 2cub s TRP 63 Cb -0.01 -2.34 0.00 0.00 -1.15 0.00 0.00 33.47 29.97 2cub s TRP 63 CO 0.02 0.46 0.16 -0.59 0.02 0.00 0.00 176.95 177.02 2cub s PHE 64 N -0.37 0.04 -0.24 -1.98 -0.12 0.93 -2.35 117.98 113.89 2cub s PHE 64 Ca 0.22 -0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 56.66 2cub s PHE 64 Cb -0.15 -0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2cub s PHE 64 CO 0.10 -0.33 1.62 -1.25 -0.05 0.00 0.00 175.22 175.32 2cub s PRO 65 N -1.67 3.74 0.48 1.99 0.04 -1.26 -0.39 135.00 137.93 2cub s PRO 65 Ca -0.12 1.61 0.21 0.00 0.04 0.00 0.00 61.00 62.73 2cub s PRO 65 Cb -0.06 -4.05 1.22 0.00 0.04 0.00 0.00 34.50 31.65 2cub s PRO 65 CO 0.01 -1.36 1.95 0.66 0.04 0.00 0.00 177.00 178.29 2cub h SER 66 N 10.93 0.21 -0.29 6.66 4.64 -1.90 0.80 113.55 134.60 2cub h SER 66 Ca -0.33 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.08 2cub h SER 66 Cb 1.15 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2cub h SER 66 CO 1.01 0.11 0.45 0.78 -0.87 0.00 0.00 176.83 178.30 2cub h ASN 67 N 0.22 0.00 1.09 4.97 2.35 -1.89 0.65 115.58 122.97 2cub h ASN 67 Ca 0.33 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.94 2cub h ASN 67 Cb 0.99 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 2cub h ASN 67 CO -0.07 0.00 -0.96 1.88 -1.65 0.00 0.00 177.43 176.63 2cub h TYR 68 N 0.00 0.00 -1.62 1.19 -1.99 -1.18 -3.47 116.97 109.90 2cub h TYR 68 Ca 0.14 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.34 2cub h TYR 68 Cb 1.03 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.71 2cub h TYR 68 CO 0.00 0.55 -0.45 0.14 -0.00 0.00 0.00 178.16 178.41 2cub s VAL 69 N -2.94 2.65 -0.05 -2.88 -7.23 0.23 0.11 120.40 110.29 2cub s VAL 69 Ca 0.01 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2cub s VAL 69 Cb 0.08 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 34.05 2cub s VAL 69 CO 0.78 -0.04 0.09 0.28 -0.31 0.00 0.00 175.10 175.90 2cub s THR 70 N -2.50 -0.09 -0.72 5.32 -1.32 0.05 -4.83 115.64 111.55 2cub s THR 70 Ca 0.44 0.26 -0.28 0.00 -1.21 0.00 0.00 61.69 60.89 2cub s THR 70 Cb -0.01 -0.17 -0.14 0.00 -1.51 0.00 0.00 72.50 70.68 2cub s THR 70 CO 0.25 0.11 2.54 -0.62 -2.21 0.00 0.00 174.62 174.69 2cub n GLU 71 N 4.50 0.57 -2.38 7.08 1.02 -1.26 -0.57 120.64 129.61 2cub n GLU 71 Ca -0.21 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.49 2cub n GLU 71 Cb 0.50 -2.59 -0.02 0.00 -0.02 0.00 0.00 31.44 29.32 2cub n GLU 71 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2cub s GLU 72 N 8.61 4.02 0.00 3.49 2.12 -0.13 -4.84 118.70 131.97 2cub s GLU 72 Ca 1.15 1.46 0.00 0.00 0.36 0.00 0.00 54.97 57.94 2cub s GLU 72 Cb -0.65 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 29.88 2cub s GLU 72 CO 0.36 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 2cub n GLY 73 N 4.09 2.21 3.89 -1.50 0.00 -1.26 -4.68 105.19 107.94 2cub n GLY 73 Ca 0.15 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 2.00 5.96 -0.46 1.61 1.01 -1.26 -5.06 116.67 120.47 2cub s ASP 74 Ca 0.00 1.14 0.03 0.00 0.71 0.00 0.00 52.55 54.43 2cub s ASP 74 Cb 0.00 -2.18 0.13 0.00 1.01 0.00 0.00 42.92 41.88 2cub s ASP 74 CO 0.00 -0.94 0.24 -0.55 0.21 0.00 0.00 175.17 174.13 2cub s SER 75 N -4.22 3.89 -0.07 0.27 0.15 -1.26 -5.09 113.70 107.36 2cub s SER 75 Ca 0.54 -2.74 -0.30 0.00 0.70 0.00 0.00 55.95 54.15 2cub s SER 75 Cb -0.11 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.92 2cub s SER 75 CO 0.50 -0.26 1.50 -2.16 1.20 0.00 0.00 173.24 174.02 2cub s PRO 76 N 0.16 4.21 0.35 5.44 0.04 -1.26 -5.01 135.00 138.94 2cub s PRO 76 Ca 0.17 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 2cub s PRO 76 Cb -0.25 -3.84 -0.09 0.00 0.04 0.00 0.00 34.50 30.36 2cub s PRO 76 CO 0.00 -0.76 0.79 -0.48 0.04 0.00 0.00 177.00 176.59 2cub s LEU 77 N 3.55 4.03 0.00 -3.56 0.05 -1.26 -4.98 118.68 116.51 2cub s LEU 77 Ca 0.67 1.38 0.00 0.00 0.05 0.00 0.00 54.13 56.22 2cub s LEU 77 Cb -0.30 -4.19 0.00 0.00 -2.05 0.00 0.00 46.19 39.65 2cub s LEU 77 CO 0.25 -0.25 0.00 0.61 -0.55 0.00 0.00 176.35 176.41 2cub n GLY 78 N -0.45 -0.60 4.21 -3.48 0.00 -1.26 -5.02 105.19 98.58 2cub n GLY 78 Ca 0.04 0.33 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 2cub n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cub n ASP 79 N -0.14 -1.74 -4.55 1.61 8.00 -1.26 -4.90 116.55 113.58 2cub n ASP 79 Ca 0.00 -1.08 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 2cub n ASP 79 Cb 0.00 -2.53 -0.09 0.00 -0.02 0.00 0.00 41.12 38.49 2cub n ASP 79 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2cub s HIS 80 N -3.62 3.20 0.42 1.24 5.65 -1.26 -5.05 115.29 115.87 2cub s HIS 80 Ca 0.46 0.05 -0.25 0.00 0.25 0.00 0.00 55.06 55.56 2cub s HIS 80 Cb -0.25 -2.77 -0.08 0.00 -1.18 0.00 0.00 32.58 28.30 2cub s HIS 80 CO 0.94 -0.48 1.31 0.54 -0.65 0.00 0.00 174.74 176.40 2cub s VAL 81 N 2.16 2.57 0.00 0.89 0.11 -1.26 -4.94 120.40 119.93 2cub s VAL 81 Ca 0.14 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2cub s VAL 81 Cb -0.16 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 2cub s VAL 81 CO 0.12 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 2cub n GLY 82 N 0.65 0.00 3.42 6.54 0.00 -1.26 -5.09 105.19 109.44 2cub n GLY 82 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2cub n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cub n SER 83 N -2.53 -1.98 0.00 1.61 7.64 -1.26 -4.99 113.62 112.12 2cub n SER 83 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2cub n SER 83 Cb 0.29 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2cub n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cub n GLY 84 N 1.61 -1.93 3.60 0.23 0.00 -1.26 -5.02 105.19 102.42 2cub n GLY 84 Ca 0.07 0.90 -0.43 0.00 0.00 0.00 0.00 46.02 46.56 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 3.46 -1.17 1.61 0.04 -1.26 -3.00 135.00 134.68 2cub s PRO 85 Ca 0.00 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 2cub s PRO 85 Cb 0.00 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.41 2cub s PRO 85 CO 0.00 -1.70 1.02 0.43 0.04 0.00 0.00 177.00 176.78 2cub n SER 86 N 9.67 -5.03 -4.15 6.66 7.64 -1.26 -2.38 113.62 124.76 2cub n SER 86 Ca 0.21 -0.49 -0.34 0.00 1.01 0.00 0.00 58.87 59.26 2cub n SER 86 Cb 0.47 -4.54 -0.02 0.00 -1.01 0.00 0.00 64.21 59.11 2cub n SER 86 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cub n SER 87 N -2.59 -2.82 0.00 6.43 2.88 -1.16 -5.34 113.62 111.02 2cub n SER 87 Ca -0.05 -1.00 0.16 0.00 -1.33 0.00 0.00 58.87 56.65 2cub n SER 87 Cb 0.58 -2.89 0.92 0.00 -0.75 0.00 0.00 64.21 62.07 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42