#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 -0.40 1.61 1.04 -1.26 -5.06 113.70 114.73 2cub s SER 2 Ca 0.00 -1.56 -0.08 0.00 0.48 0.00 0.00 55.95 54.79 2cub s SER 2 Cb 0.00 -1.78 0.08 0.00 0.10 0.00 0.00 66.02 64.41 2cub s SER 2 CO 0.00 -0.38 0.22 -0.55 0.98 0.00 0.00 173.24 173.51 2cub s SER 3 N 1.50 5.52 0.00 7.02 0.15 -1.26 -4.99 113.70 121.64 2cub s SER 3 Ca 0.01 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.15 2cub s SER 3 Cb -0.21 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2cub s SER 3 CO -0.02 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2cub n GLY 4 N 4.86 4.68 3.68 9.45 0.00 -1.26 -5.13 105.19 121.47 2cub n GLY 4 Ca -0.10 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 5.30 -0.03 1.61 0.15 -1.26 -5.11 113.70 114.36 2cub s SER 5 Ca 0.00 0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.84 2cub s SER 5 Cb 0.00 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.75 2cub s SER 5 CO 0.00 0.36 -0.17 -0.55 1.20 0.00 0.00 173.24 174.08 2cub s SER 6 N -0.75 2.08 0.00 5.45 0.15 -1.26 -4.91 113.70 114.47 2cub s SER 6 Ca 0.12 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2cub s SER 6 Cb -0.12 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 2cub s SER 6 CO 0.02 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2cub n GLY 7 N 2.91 0.81 3.85 9.45 0.00 -1.26 -5.14 105.19 115.80 2cub n GLY 7 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.28 6.58 0.63 1.61 -4.77 -1.26 -5.04 116.67 114.14 2cub s ASP 8 Ca 0.00 1.52 -0.16 0.00 -3.30 0.00 0.00 52.55 50.61 2cub s ASP 8 Cb 0.00 -2.49 -0.02 0.00 -1.09 0.00 0.00 42.92 39.33 2cub s ASP 8 CO 0.00 -0.59 1.12 -2.16 0.70 0.00 0.00 175.17 174.23 2cub s PRO 9 N -4.14 2.94 0.20 2.11 0.04 -1.26 -4.77 135.00 130.13 2cub s PRO 9 Ca 0.58 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2cub s PRO 9 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2cub s PRO 9 CO 0.33 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.63 2cub n GLY 10 N -0.35 -5.03 3.86 0.56 0.00 -1.26 -4.97 105.19 98.00 2cub n GLY 10 Ca 0.11 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2cub n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cub s GLU 11 N -1.35 3.88 0.50 1.61 1.03 -1.26 -5.07 118.70 118.05 2cub s GLU 11 Ca 0.00 0.74 -0.10 0.00 0.03 0.00 0.00 54.97 55.63 2cub s GLU 11 Cb 0.00 -2.26 -0.05 0.00 -0.80 0.00 0.00 34.13 31.02 2cub s GLU 11 CO 0.00 -0.14 0.88 1.03 -1.33 0.00 0.00 175.26 175.69 2cub s ARG 12 N -3.90 3.70 -0.12 -4.83 3.00 -1.26 -5.07 118.95 110.47 2cub s ARG 12 Ca 0.55 0.55 -0.03 0.00 0.00 0.00 0.00 55.73 56.81 2cub s ARG 12 Cb -0.10 -2.27 0.05 0.00 0.00 0.00 0.00 34.95 32.63 2cub s ARG 12 CO 0.30 -0.25 0.05 -0.51 0.00 0.00 0.00 175.30 174.89 2cub s LEU 13 N -4.45 0.48 0.29 2.53 1.43 -1.26 -5.14 118.68 112.55 2cub s LEU 13 Ca 0.52 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2cub s LEU 13 Cb -0.10 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 2cub s LEU 13 CO 0.40 -0.28 0.25 -0.72 0.23 0.00 0.00 176.35 176.23 2cub s TYR 14 N 2.07 1.53 -1.79 0.29 -0.85 -1.26 -2.91 117.35 114.43 2cub s TYR 14 Ca 0.03 -1.55 -0.19 0.00 -0.52 0.00 0.00 57.07 54.84 2cub s TYR 14 Cb -0.14 -0.63 0.19 0.00 0.38 0.00 0.00 41.96 41.76 2cub s TYR 14 CO -0.06 -0.82 0.56 -3.47 -1.52 0.00 0.00 175.55 170.24 2cub n ASP 15 N -1.15 -1.78 -0.04 -0.18 2.03 0.61 -4.83 116.55 111.21 2cub n ASP 15 Ca 0.05 -1.19 -0.13 0.00 0.52 0.00 0.00 54.79 54.04 2cub n ASP 15 Cb 0.63 -1.90 -0.11 0.00 -0.72 0.00 0.00 41.12 39.02 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 -1.15 -0.01 0.17 -2.67 4.07 -1.64 -3.48 115.31 110.60 2cub h LEU 16 Ca -0.61 -0.73 -0.11 0.00 0.08 0.00 0.00 57.88 56.51 2cub h LEU 16 Cb 1.39 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.14 2cub h LEU 16 CO 0.84 0.73 -0.16 -3.20 -1.08 0.00 0.00 178.44 175.57 2cub n ASN 17 N -4.74 -2.68 -4.65 -0.43 2.85 0.16 -5.00 115.26 100.79 2cub n ASN 17 Ca -0.09 -0.06 -0.42 0.00 -0.11 0.00 0.00 54.58 53.90 2cub n ASN 17 Cb 0.36 -1.74 -0.04 0.00 1.24 0.00 0.00 39.78 39.60 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 -4.68 4.19 0.02 1.20 -1.94 -0.50 -4.75 119.30 112.84 2cub s MET 18 Ca 0.06 0.94 -0.30 0.00 -1.71 0.00 0.00 55.69 54.68 2cub s MET 18 Cb -0.03 -3.64 -0.06 0.00 2.01 0.00 0.00 34.83 33.12 2cub s MET 18 CO 0.07 -0.50 1.44 -1.25 -0.01 0.00 0.00 175.02 174.77 2cub s PRO 19 N 2.76 4.27 0.32 2.03 0.04 -1.26 -0.26 135.00 142.90 2cub s PRO 19 Ca 0.35 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.52 2cub s PRO 19 Cb -0.15 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 2cub s PRO 19 CO 0.08 -0.59 -0.08 0.00 0.04 0.00 0.00 177.00 176.45 2cub s ALA 20 N 2.35 2.99 -0.21 8.56 0.00 0.76 -1.88 121.76 134.34 2cub s ALA 20 Ca 0.65 -1.95 0.01 0.00 0.00 0.00 0.00 51.96 50.67 2cub s ALA 20 Cb -0.33 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.54 2cub s ALA 20 CO 0.28 0.15 -0.15 -0.47 0.00 0.00 0.00 175.76 175.56 2cub s TYR 21 N -2.53 2.94 -0.34 0.00 5.04 0.12 -1.02 117.35 121.55 2cub s TYR 21 Ca 0.32 -1.75 -0.29 0.00 -2.44 0.00 0.00 57.07 52.92 2cub s TYR 21 Cb -0.01 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 2cub s TYR 21 CO 0.17 -0.80 1.69 0.08 -1.34 0.00 0.00 175.55 175.35 2cub s VAL 22 N 1.26 3.60 -0.23 3.14 1.01 -0.88 -0.02 120.40 128.28 2cub s VAL 22 Ca 0.01 0.61 0.20 0.00 0.00 0.00 0.00 61.98 62.80 2cub s VAL 22 Cb -0.15 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2cub s VAL 22 CO -0.10 -0.49 1.14 0.11 0.00 0.00 0.00 175.10 175.77 2cub h LYS 23 N 12.15 0.00 -3.28 2.72 1.57 -0.23 -2.74 116.57 126.76 2cub h LYS 23 Ca -0.32 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.20 2cub h LYS 23 Cb 1.15 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.14 2cub h LYS 23 CO 1.04 0.15 -0.62 -0.06 -0.57 0.00 0.00 179.45 179.40 2cub s PHE 24 N -3.16 -0.14 0.19 -1.35 0.08 -1.02 -4.86 117.98 107.73 2cub s PHE 24 Ca 0.01 0.44 -0.32 0.00 0.12 0.00 0.00 56.93 57.18 2cub s PHE 24 Cb 0.08 -0.11 -0.11 0.00 -0.57 0.00 0.00 43.02 42.31 2cub s PHE 24 CO 0.77 -0.16 1.67 0.54 -0.10 0.00 0.00 175.22 177.94 2cub s ASN 25 N 1.21 6.46 -0.16 1.36 2.20 -1.26 -4.48 114.94 120.27 2cub s ASN 25 Ca -0.09 2.77 0.01 0.00 -0.94 0.00 0.00 52.86 54.61 2cub s ASN 25 Cb -0.12 -2.60 0.01 0.00 -2.00 0.00 0.00 41.25 36.54 2cub s ASN 25 CO -0.06 -0.92 -0.17 -0.47 -2.94 0.00 0.00 177.10 172.54 2cub s TYR 26 N 1.28 2.77 -0.27 1.54 6.14 -0.17 -4.90 117.35 123.74 2cub s TYR 26 Ca 0.73 -1.29 -0.16 0.00 0.64 0.00 0.00 57.07 56.99 2cub s TYR 26 Cb -0.47 -1.90 -0.03 0.00 0.42 0.00 0.00 41.96 39.97 2cub s TYR 26 CO 0.32 -0.62 0.43 -1.64 0.64 0.00 0.00 175.55 174.68 2cub s MET 27 N 1.02 4.02 0.44 4.97 -1.94 -1.26 0.19 119.30 126.74 2cub s MET 27 Ca -0.02 0.13 -0.20 0.00 -1.71 0.00 0.00 55.69 53.89 2cub s MET 27 Cb -0.15 -3.66 -0.11 0.00 2.01 0.00 0.00 34.83 32.93 2cub s MET 27 CO -0.05 -0.32 0.95 0.00 -0.01 0.00 0.00 175.02 175.59 2cub s ALA 28 N 2.17 3.05 -0.04 3.03 0.00 -1.26 -4.95 121.76 123.76 2cub s ALA 28 Ca 0.17 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.53 2cub s ALA 28 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2cub s ALA 28 CO 0.10 0.10 0.07 0.39 0.00 0.00 0.00 175.76 176.42 2cub n GLU 29 N -0.72 1.88 -4.56 0.00 1.02 -1.26 -4.96 120.64 112.05 2cub n GLU 29 Ca 0.07 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.96 2cub n GLU 29 Cb 0.54 -0.93 -0.14 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 -1.90 1.19 0.32 3.49 1.81 -1.26 -5.03 118.95 117.57 2cub s ARG 30 Ca -0.00 -0.78 0.10 0.00 -1.72 0.00 0.00 55.73 53.33 2cub s ARG 30 Cb 0.02 -1.22 0.92 0.00 -0.45 0.00 0.00 34.95 34.21 2cub s ARG 30 CO 0.10 0.31 1.71 1.05 -0.68 0.00 0.00 175.30 177.80 2cub h GLU 31 N 5.11 0.49 0.00 3.54 4.11 -2.01 0.83 114.58 126.65 2cub h GLU 31 Ca -0.39 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.99 2cub h GLU 31 Cb 1.17 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2cub h GLU 31 CO 0.45 0.32 -0.09 0.38 0.07 0.00 0.00 179.01 180.14 2cub h ASP 32 N 0.50 0.00 -3.72 3.06 2.03 -1.95 -3.43 116.42 112.91 2cub h ASP 32 Ca 0.66 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.46 2cub h ASP 32 Cb 1.31 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.80 2cub h ASP 32 CO -0.51 0.09 0.11 -1.61 -1.03 0.00 0.00 179.24 176.29 2cub s GLU 33 N -4.85 3.87 0.07 4.15 8.01 0.29 -0.03 118.70 130.21 2cub s GLU 33 Ca -0.04 0.55 0.06 0.00 0.01 0.00 0.00 54.97 55.54 2cub s GLU 33 Cb 0.16 -2.40 -0.04 0.00 -4.31 0.00 0.00 34.13 27.54 2cub s GLU 33 CO 0.68 0.04 -0.08 -1.17 0.01 0.00 0.00 175.26 174.73 2cub s LEU 34 N -3.51 3.11 -0.44 1.80 2.96 0.69 -4.42 118.68 118.88 2cub s LEU 34 Ca 0.52 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.98 2cub s LEU 34 Cb -0.10 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.77 2cub s LEU 34 CO 0.26 0.21 0.41 -0.44 -1.32 0.00 0.00 176.35 175.47 2cub s SER 35 N -1.95 6.16 0.51 3.68 0.01 -1.26 -4.14 113.70 116.71 2cub s SER 35 Ca 0.20 -0.95 -0.10 0.00 1.31 0.00 0.00 55.95 56.41 2cub s SER 35 Cb -0.11 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 2cub s SER 35 CO 0.12 -0.60 0.89 -0.76 0.41 0.00 0.00 173.24 173.31 2cub s LEU 36 N 1.92 3.56 -0.07 2.44 1.43 0.13 -4.87 118.68 123.21 2cub s LEU 36 Ca 0.08 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2cub s LEU 36 Cb -0.20 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 41.83 2cub s LEU 36 CO 0.10 -0.62 -0.05 -0.63 0.23 0.00 0.00 176.35 175.38 2cub s ILE 37 N -2.76 0.70 0.03 -0.59 1.01 -1.26 -1.00 121.20 117.32 2cub s ILE 37 Ca 0.53 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 2cub s ILE 37 Cb -0.10 -0.75 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 2cub s ILE 37 CO 0.42 0.29 1.82 -0.75 0.00 0.00 0.00 174.94 176.72 2cub s LYS 38 N 1.41 4.16 0.00 2.79 2.20 -1.26 -2.69 119.74 126.34 2cub s LYS 38 Ca -0.02 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 2cub s LYS 38 Cb -0.13 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 2cub s LYS 38 CO -0.03 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.49 2cub n GLY 39 N 4.31 1.35 3.42 5.54 0.00 -1.03 -4.91 105.19 113.87 2cub n GLY 39 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 0.41 -0.07 2.61 -4.23 -1.10 -5.04 115.64 106.23 2cub s THR 40 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2cub s THR 40 Cb 0.00 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.42 2cub s THR 40 CO 0.00 0.00 -0.15 -0.75 -0.54 0.00 0.00 174.62 173.18 2cub s LYS 41 N -3.68 1.92 0.42 3.99 2.20 -1.26 -2.08 119.74 121.26 2cub s LYS 41 Ca 0.31 -0.52 0.07 0.00 -0.36 0.00 0.00 55.97 55.47 2cub s LYS 41 Cb 0.03 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 2cub s LYS 41 CO 0.18 0.09 0.23 0.14 -0.36 0.00 0.00 175.35 175.64 2cub s VAL 42 N 0.49 2.32 -0.30 4.02 -7.23 -0.19 -4.92 120.40 114.59 2cub s VAL 42 Ca -0.13 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2cub s VAL 42 Cb -0.15 -2.93 0.08 0.00 0.56 0.00 0.00 36.38 33.94 2cub s VAL 42 CO 0.04 0.00 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.18 2cub s ILE 43 N -2.59 2.21 0.05 -0.62 -1.09 -1.05 -0.17 121.20 117.93 2cub s ILE 43 Ca 0.42 -2.00 -0.31 0.00 -2.23 0.00 0.00 60.65 56.53 2cub s ILE 43 Cb 0.02 -2.48 -0.07 0.00 -1.58 0.00 0.00 42.46 38.35 2cub s ILE 43 CO 0.23 -0.34 1.41 -0.69 -1.23 0.00 0.00 174.94 174.32 2cub s VAL 44 N 1.00 3.53 -0.07 2.92 1.01 0.64 -1.38 120.40 128.04 2cub s VAL 44 Ca 0.02 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.07 2cub s VAL 44 Cb -0.19 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2cub s VAL 44 CO -0.07 0.03 0.02 0.23 0.00 0.00 0.00 175.10 175.31 2cub n MET 45 N 4.80 2.74 -4.01 2.72 2.81 0.03 0.40 117.12 126.61 2cub n MET 45 Ca 0.12 -0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.92 2cub n MET 45 Cb 0.43 -1.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.65 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 -2.17 0.38 -0.03 0.03 2.12 0.07 0.23 118.70 119.31 2cub s GLU 46 Ca -0.04 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 2cub s GLU 46 Cb 0.02 0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.48 2cub s GLU 46 CO 0.29 -0.04 0.04 0.15 -0.54 0.00 0.00 175.26 175.16 2cub s LYS 47 N -1.70 -0.01 -0.34 4.30 1.02 -1.14 -0.65 119.74 121.22 2cub s LYS 47 Ca -0.13 0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.99 2cub s LYS 47 Cb -0.08 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 36.79 2cub s LYS 47 CO -0.01 -0.25 0.33 0.00 -0.92 0.00 0.00 175.35 174.49 2cub n SER 49 N 5.31 0.22 -0.17 0.00 7.64 -1.26 0.84 113.62 126.19 2cub n SER 49 Ca -0.10 1.14 -0.06 0.00 1.01 0.00 0.00 58.87 60.86 2cub n SER 49 Cb 0.50 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2cub n SER 49 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2cub h ASP 50 N 0.00 -1.10 0.00 6.43 3.58 -2.06 -3.46 116.42 119.81 2cub h ASP 50 Ca 0.63 0.21 0.00 0.00 0.42 0.00 0.00 57.03 58.29 2cub h ASP 50 Cb 1.82 0.54 0.00 0.00 1.72 0.00 0.00 39.33 43.41 2cub h ASP 50 CO -0.48 -0.30 0.00 0.61 -2.88 0.00 0.00 179.24 176.19 2cub n GLY 51 N -1.43 0.78 3.74 -0.78 0.00 0.25 -5.13 105.19 102.62 2cub n GLY 51 Ca 0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 3.33 0.23 1.61 0.52 -1.25 -3.96 118.94 119.43 2cub s TRP 52 Ca 0.00 1.35 0.08 0.00 0.02 0.00 0.00 56.10 57.55 2cub s TRP 52 Cb 0.00 -3.52 -0.04 0.00 -1.15 0.00 0.00 33.47 28.76 2cub s TRP 52 CO 0.00 -1.52 0.06 -1.58 0.02 0.00 0.00 176.95 173.93 2cub s TRP 53 N -0.13 2.86 -0.25 -1.98 0.52 -0.11 -1.81 118.94 118.04 2cub s TRP 53 Ca 0.54 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.49 2cub s TRP 53 Cb -0.35 -1.31 0.07 0.00 -1.15 0.00 0.00 33.47 30.74 2cub s TRP 53 CO 0.39 0.56 0.02 0.50 0.02 0.00 0.00 176.95 178.44 2cub s ARG 54 N -3.51 1.08 0.00 4.98 3.52 0.18 -0.14 118.95 125.06 2cub s ARG 54 Ca 0.31 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 2cub s ARG 54 Cb -0.08 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 2cub s ARG 54 CO 0.21 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.38 2cub n GLY 55 N 4.81 6.01 3.13 8.12 0.00 -1.16 -0.76 105.19 125.35 2cub n GLY 55 Ca -0.07 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 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 0.37 1.44 -0.21 1.61 0.15 -0.48 -2.46 113.70 114.12 2cub s SER 56 Ca 0.00 -0.57 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 2cub s SER 56 Cb 0.00 -0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.38 2cub s SER 56 CO 0.00 -0.10 0.23 -0.47 1.20 0.00 0.00 173.24 174.11 2cub s TYR 57 N -1.23 -0.30 -0.64 3.44 5.04 -0.55 -2.54 117.35 120.56 2cub s TYR 57 Ca -0.04 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2cub s TYR 57 Cb -0.10 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.85 2cub s TYR 57 CO 0.02 -0.64 0.00 -1.71 -1.34 0.00 0.00 175.55 171.87 2cub n ASN 58 N 5.32 -3.18 0.00 4.32 2.85 -1.26 -2.77 115.26 120.54 2cub n ASN 58 Ca -0.05 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2cub n ASN 58 Cb 0.49 -1.92 0.00 0.00 1.24 0.00 0.00 39.78 39.59 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 -1.56 2.18 3.91 8.20 0.00 -1.26 -5.06 105.19 111.61 2cub n GLY 59 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2cub n GLY 59 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cub s GLN 60 N -0.87 2.48 -0.04 1.61 -2.07 -1.12 -5.07 119.66 114.58 2cub s GLN 60 Ca 0.00 -0.02 -0.04 0.00 -1.82 0.00 0.00 55.36 53.48 2cub s GLN 60 Cb 0.00 -2.15 0.01 0.00 -1.09 0.00 0.00 33.01 29.79 2cub s GLN 60 CO 0.00 -1.10 0.11 0.08 -1.32 0.00 0.00 175.29 173.06 2cub s VAL 61 N -3.24 -0.00 0.00 3.63 1.01 -1.26 -1.48 120.40 119.06 2cub s VAL 61 Ca 0.58 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2cub s VAL 61 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.10 2cub s VAL 61 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2cub n GLY 62 N 3.09 1.94 3.35 4.51 0.00 -1.03 -4.87 105.19 112.18 2cub n GLY 62 Ca -0.13 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.09 2.78 0.00 1.61 0.52 0.96 -2.99 118.94 118.73 2cub s TRP 63 Ca 0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 56.10 55.36 2cub s TRP 63 Cb 0.00 -1.83 -0.00 0.00 -1.15 0.00 0.00 33.47 30.49 2cub s TRP 63 CO 0.00 -0.25 0.09 -0.59 0.02 0.00 0.00 176.95 176.23 2cub s PHE 64 N 0.37 0.07 -0.16 -1.98 -0.12 0.80 -0.22 117.98 116.74 2cub s PHE 64 Ca -0.12 -0.17 -0.29 0.00 -0.05 0.00 0.00 56.93 56.30 2cub s PHE 64 Cb -0.16 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 2cub s PHE 64 CO 0.06 -0.23 1.56 -1.25 -0.05 0.00 0.00 175.22 175.31 2cub s PRO 65 N -1.21 4.00 0.51 1.99 0.04 -1.26 -0.94 135.00 138.13 2cub s PRO 65 Ca -0.13 1.83 0.16 0.00 0.04 0.00 0.00 61.00 62.90 2cub s PRO 65 Cb -0.07 -3.97 1.25 0.00 0.04 0.00 0.00 34.50 31.75 2cub s PRO 65 CO 0.01 -1.04 2.13 0.66 0.04 0.00 0.00 177.00 178.80 2cub h SER 66 N 9.88 0.00 -0.25 6.66 4.64 -1.90 -1.51 113.55 131.08 2cub h SER 66 Ca -0.34 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.05 2cub h SER 66 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2cub h SER 66 CO 0.98 0.03 0.39 0.78 -0.87 0.00 0.00 176.83 178.14 2cub h ASN 67 N 0.00 0.00 0.71 4.97 4.21 -1.90 0.29 115.58 123.86 2cub h ASN 67 Ca -0.00 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 2cub h ASN 67 Cb 0.05 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 2cub h ASN 67 CO 0.00 0.00 -1.32 1.88 -1.29 0.00 0.00 177.43 176.70 2cub h TYR 68 N 0.00 0.15 -1.33 1.19 -1.99 -1.61 -3.47 116.97 109.91 2cub h TYR 68 Ca 0.12 -0.11 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 2cub h TYR 68 Cb 0.89 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.60 2cub h TYR 68 CO 0.00 1.12 -0.30 0.14 -0.00 0.00 0.00 178.16 179.12 2cub s VAL 69 N -2.66 2.64 -0.04 -2.88 -7.23 0.10 0.54 120.40 110.87 2cub s VAL 69 Ca -0.03 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2cub s VAL 69 Cb 0.08 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 34.22 2cub s VAL 69 CO 0.83 0.00 0.09 0.28 -0.31 0.00 0.00 175.10 176.00 2cub s THR 70 N -2.48 -0.05 -0.49 5.32 -1.32 0.97 -4.83 115.64 112.76 2cub s THR 70 Ca 0.51 0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.89 2cub s THR 70 Cb -0.06 -0.16 -0.10 0.00 -1.51 0.00 0.00 72.50 70.67 2cub s THR 70 CO 0.30 0.08 2.38 -0.62 -2.21 0.00 0.00 174.62 174.55 2cub n GLU 71 N 4.11 1.06 0.03 7.08 1.02 -1.26 0.10 120.64 132.78 2cub n GLU 71 Ca -0.26 0.14 -0.20 0.00 -0.02 0.00 0.00 57.16 56.82 2cub n GLU 71 Cb 0.52 -2.95 -0.14 0.00 -0.02 0.00 0.00 31.44 28.84 2cub n GLU 71 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2cub h GLU 72 N 16.43 0.26 0.00 3.49 4.57 -1.67 -3.41 114.58 134.24 2cub h GLU 72 Ca -0.25 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.49 2cub h GLU 72 Cb 1.28 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2cub h GLU 72 CO 1.13 1.21 0.00 0.41 -1.18 0.00 0.00 179.01 180.58 2cub n GLY 73 N 1.67 -2.55 2.74 1.92 0.00 -1.03 -4.72 105.19 103.23 2cub n GLY 73 Ca -0.16 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.45 0.45 -4.29 1.61 2.03 -1.26 -4.93 116.55 109.70 2cub n ASP 74 Ca 0.00 0.89 -0.28 0.00 0.52 0.00 0.00 54.79 55.92 2cub n ASP 74 Cb 0.00 -0.68 -0.14 0.00 -0.72 0.00 0.00 41.12 39.57 2cub n ASP 74 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2cub s SER 75 N 1.13 2.81 0.82 1.67 0.01 -1.26 -4.97 113.70 113.91 2cub s SER 75 Ca 0.74 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 57.35 2cub s SER 75 Cb -1.05 -0.25 0.09 0.00 0.21 0.00 0.00 66.02 65.02 2cub s SER 75 CO 0.53 0.21 1.09 -2.16 0.41 0.00 0.00 173.24 173.32 2cub s PRO 76 N -1.16 1.83 0.24 12.44 0.04 -1.26 -4.95 135.00 142.18 2cub s PRO 76 Ca 0.10 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 2cub s PRO 76 Cb -0.09 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 2cub s PRO 76 CO 0.02 -1.90 1.56 -0.11 0.04 0.00 0.00 177.00 176.61 2cub n LEU 77 N -3.68 3.71 -2.78 -3.56 0.00 -1.26 -3.77 117.00 105.66 2cub n LEU 77 Ca 0.08 1.12 -0.07 0.00 0.00 0.00 0.00 56.01 57.14 2cub n LEU 77 Cb 0.54 -1.51 0.01 0.00 0.00 0.00 0.00 43.42 42.45 2cub n LEU 77 CO 0.54 -0.10 0.08 0.61 0.00 0.00 0.00 177.39 178.51 2cub n GLY 78 N 2.73 -1.27 0.19 -3.96 0.00 -1.26 -5.01 105.19 96.61 2cub n GLY 78 Ca 0.12 1.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.97 2cub n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cub n ASP 79 N -0.46 1.87 -0.29 1.61 -0.08 -1.25 -4.51 116.55 113.44 2cub n ASP 79 Ca 0.10 0.27 0.17 0.00 -1.51 0.00 0.00 54.79 53.82 2cub n ASP 79 Cb 0.44 -0.72 0.33 0.00 2.34 0.00 0.00 41.12 43.50 2cub n ASP 79 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2cub n HIS 80 N -4.06 0.69 -3.74 -0.67 -0.00 -1.26 -4.18 115.22 102.00 2cub n HIS 80 Ca -0.51 1.04 -0.36 0.00 -0.00 0.00 0.00 57.72 57.89 2cub n HIS 80 Cb 0.88 -1.24 -0.06 0.00 -0.00 0.00 0.00 29.99 29.57 2cub n HIS 80 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2cub s VAL 81 N -5.68 5.31 0.00 1.59 0.11 -1.26 -4.98 120.40 115.48 2cub s VAL 81 Ca -0.10 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 2cub s VAL 81 Cb 0.27 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2cub s VAL 81 CO 0.68 0.51 0.00 0.61 -3.33 0.00 0.00 175.10 173.57 2cub n GLY 82 N 1.60 -0.52 0.41 6.54 0.00 -1.26 -4.98 105.19 106.99 2cub n GLY 82 Ca -0.15 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2cub n GLY 82 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cub h SER 83 N 0.00 -1.51 0.00 1.61 0.02 -1.95 -3.48 113.55 108.24 2cub h SER 83 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2cub h SER 83 Cb 0.00 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2cub h SER 83 CO 0.00 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 175.91 2cub n GLY 84 N -1.41 1.54 3.77 -3.77 0.00 -1.26 -5.07 105.19 98.99 2cub n GLY 84 Ca -0.02 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 3.65 -0.30 1.61 0.04 -1.26 -5.05 135.00 133.70 2cub s PRO 85 Ca 0.00 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2cub s PRO 85 Cb 0.00 -2.30 0.17 0.00 0.04 0.00 0.00 34.50 32.41 2cub s PRO 85 CO 0.00 -0.63 1.02 0.45 0.04 0.00 0.00 177.00 177.88 2cub s SER 86 N -1.47 -0.50 -0.15 6.66 0.15 -1.26 -5.15 113.70 111.98 2cub s SER 86 Ca 0.66 0.71 -0.04 0.00 0.70 0.00 0.00 55.95 57.98 2cub s SER 86 Cb -0.27 1.48 0.07 0.00 -1.71 0.00 0.00 66.02 65.59 2cub s SER 86 CO 0.32 -0.10 0.25 -0.94 1.20 0.00 0.00 173.24 173.97 2cub s SER 87 N 2.10 0.62 0.00 5.45 1.04 -1.26 -5.30 113.70 116.36 2cub s SER 87 Ca -0.04 0.36 0.32 0.00 0.48 0.00 0.00 55.95 57.07 2cub s SER 87 Cb -0.05 0.61 1.88 0.00 0.10 0.00 0.00 66.02 68.56 2cub s SER 87 CO -0.16 -0.26 2.20 0.61 0.98 0.00 0.00 173.24 176.61