#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 6.19 -0.00 1.61 0.01 -1.26 -5.09 113.70 115.17 2cub s SER 2 Ca 0.00 0.04 -0.26 0.00 1.31 0.00 0.00 55.95 57.04 2cub s SER 2 Cb 0.00 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 2cub s SER 2 CO 0.00 -0.04 0.83 -0.94 0.41 0.00 0.00 173.24 173.50 2cub s SER 3 N -3.77 7.21 -0.38 2.44 1.04 -1.26 -4.98 113.70 114.00 2cub s SER 3 Ca 0.34 1.46 0.10 0.00 0.48 0.00 0.00 55.95 58.33 2cub s SER 3 Cb -0.09 -2.49 0.44 0.00 0.10 0.00 0.00 66.02 63.97 2cub s SER 3 CO 0.28 -0.12 1.07 0.61 0.98 0.00 0.00 173.24 176.06 2cub n GLY 4 N 2.78 4.48 3.54 7.32 0.00 -1.26 -5.04 105.19 117.00 2cub n GLY 4 Ca 0.01 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 2cub n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cub n SER 5 N -0.38 1.71 -3.99 1.61 2.88 -1.26 -4.90 113.62 109.30 2cub n SER 5 Ca 0.29 -0.45 -0.20 0.00 -1.33 0.00 0.00 58.87 57.18 2cub n SER 5 Cb 0.74 -1.42 -0.15 0.00 -0.75 0.00 0.00 64.21 62.63 2cub n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cub s SER 6 N 11.08 1.10 0.00 -3.46 0.15 -1.26 -5.01 113.70 116.30 2cub s SER 6 Ca 1.07 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2cub s SER 6 Cb -0.43 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2cub s SER 6 CO 0.30 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2cub n GLY 7 N 3.29 0.00 3.68 9.45 0.00 -1.26 -5.16 105.19 115.19 2cub n GLY 7 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 1.18 0.20 1.61 9.92 -1.26 -4.91 116.55 123.29 2cub n ASP 8 Ca 0.00 0.67 0.06 0.00 -0.53 0.00 0.00 54.79 55.00 2cub n ASP 8 Cb 0.00 -1.50 0.42 0.00 -0.64 0.00 0.00 41.12 39.40 2cub n ASP 8 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2cub h PRO 9 N -0.37 0.00 0.00 -0.24 0.13 -2.07 -3.46 132.00 126.00 2cub h PRO 9 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cub h PRO 9 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2cub h PRO 9 CO 0.48 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 2cub n GLY 10 N -0.09 2.25 3.64 1.56 0.00 -1.26 -5.18 105.19 106.11 2cub n GLY 10 Ca -0.01 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.45 2.19 -0.13 1.61 2.56 -1.26 -5.15 118.70 118.08 2cub s GLU 11 Ca 0.00 -1.57 -0.16 0.00 0.00 0.00 0.00 54.97 53.24 2cub s GLU 11 Cb 0.00 -2.06 0.04 0.00 2.00 0.00 0.00 34.13 34.11 2cub s GLU 11 CO 0.00 0.24 0.43 -0.98 -0.56 0.00 0.00 175.26 174.39 2cub s ARG 12 N -3.71 0.57 -0.06 4.30 1.70 -1.26 -4.93 118.95 115.57 2cub s ARG 12 Ca 0.34 0.44 -0.02 0.00 -0.47 0.00 0.00 55.73 56.01 2cub s ARG 12 Cb -0.04 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.65 2cub s ARG 12 CO 0.20 -0.10 0.04 -0.51 -1.08 0.00 0.00 175.30 173.85 2cub s LEU 13 N -0.15 0.32 0.32 -1.89 1.02 -1.26 -5.09 118.68 111.96 2cub s LEU 13 Ca -0.03 -0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.13 2cub s LEU 13 Cb -0.03 -0.26 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 2cub s LEU 13 CO 0.02 -0.24 0.11 -0.72 0.02 0.00 0.00 176.35 175.54 2cub s TYR 14 N 2.09 1.74 -1.74 0.29 -0.85 -1.26 -1.90 117.35 115.72 2cub s TYR 14 Ca 0.05 -1.18 -0.20 0.00 -0.52 0.00 0.00 57.07 55.22 2cub s TYR 14 Cb -0.12 -1.07 0.18 0.00 0.38 0.00 0.00 41.96 41.33 2cub s TYR 14 CO -0.04 -0.26 0.76 -3.47 -1.52 0.00 0.00 175.55 171.01 2cub n ASP 15 N -0.82 -3.07 0.03 -0.18 -0.08 0.40 -4.85 116.55 107.97 2cub n ASP 15 Ca -0.02 -1.05 -0.12 0.00 -1.51 0.00 0.00 54.79 52.09 2cub n ASP 15 Cb 0.66 -2.53 -0.09 0.00 2.34 0.00 0.00 41.12 41.49 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 -1.36 -0.11 0.01 -2.67 4.07 -1.44 -3.48 115.31 110.31 2cub h LEU 16 Ca -0.59 -0.44 -0.20 0.00 0.08 0.00 0.00 57.88 56.73 2cub h LEU 16 Cb 1.38 0.03 0.04 0.00 1.08 0.00 0.00 40.66 43.19 2cub h LEU 16 CO 0.80 0.43 -0.31 0.59 -1.08 0.00 0.00 178.44 178.87 2cub n ASN 17 N -4.89 -3.92 -4.63 -0.43 5.03 0.27 -4.98 115.26 101.70 2cub n ASN 17 Ca -0.08 -0.17 -0.40 0.00 0.87 0.00 0.00 54.58 54.80 2cub n ASN 17 Cb 0.28 -2.75 -0.07 0.00 -1.02 0.00 0.00 39.78 36.21 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 -5.22 4.11 0.16 3.52 -1.94 -0.34 -4.78 119.30 114.81 2cub s MET 18 Ca 0.18 0.34 -0.31 0.00 -1.71 0.00 0.00 55.69 54.20 2cub s MET 18 Cb -0.08 -3.62 -0.08 0.00 2.01 0.00 0.00 34.83 33.05 2cub s MET 18 CO 0.22 -0.28 1.33 -1.25 -0.01 0.00 0.00 175.02 175.03 2cub s PRO 19 N 2.09 4.37 0.38 2.03 0.04 -1.26 -0.08 135.00 142.57 2cub s PRO 19 Ca 0.22 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.35 2cub s PRO 19 Cb -0.16 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 2cub s PRO 19 CO 0.09 -0.32 0.04 0.00 0.04 0.00 0.00 177.00 176.85 2cub s ALA 20 N 0.52 2.87 -0.22 8.56 0.00 0.70 -2.34 121.76 131.85 2cub s ALA 20 Ca 0.60 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2cub s ALA 20 Cb -0.36 0.42 0.06 0.00 0.00 0.00 0.00 23.12 23.24 2cub s ALA 20 CO 0.35 -0.21 -0.04 -0.47 0.00 0.00 0.00 175.76 175.38 2cub s TYR 21 N -3.03 2.14 -0.60 0.00 5.04 0.12 -1.54 117.35 119.49 2cub s TYR 21 Ca 0.32 -1.58 -0.26 0.00 -2.44 0.00 0.00 57.07 53.11 2cub s TYR 21 Cb 0.08 -1.48 -0.07 0.00 0.35 0.00 0.00 41.96 40.85 2cub s TYR 21 CO 0.15 -0.74 2.24 0.08 -1.34 0.00 0.00 175.55 175.94 2cub s VAL 22 N 1.48 3.13 0.18 3.14 1.01 -0.72 -0.81 120.40 127.80 2cub s VAL 22 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2cub s VAL 22 Cb -0.18 -3.32 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 2cub s VAL 22 CO -0.07 -0.31 1.42 0.11 0.00 0.00 0.00 175.10 176.26 2cub h LYS 23 N 16.74 0.33 -6.28 2.72 1.57 0.15 -0.03 116.57 131.77 2cub h LYS 23 Ca -0.18 -0.29 -0.62 0.00 -1.87 0.00 0.00 60.65 57.68 2cub h LYS 23 Cb 1.18 0.07 -0.27 0.00 0.08 0.00 0.00 32.23 33.29 2cub h LYS 23 CO 1.15 0.95 -0.86 -0.06 -0.57 0.00 0.00 179.45 180.07 2cub s PHE 24 N -3.48 1.99 -0.19 -1.35 0.08 -0.27 -4.62 117.98 110.14 2cub s PHE 24 Ca -0.05 -0.38 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 2cub s PHE 24 Cb 0.10 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 2cub s PHE 24 CO 0.83 0.07 1.20 0.54 -0.10 0.00 0.00 175.22 177.76 2cub s ASN 25 N -1.03 6.98 -0.15 1.36 2.20 -1.26 -4.19 114.94 118.85 2cub s ASN 25 Ca 0.09 1.59 -0.04 0.00 -0.94 0.00 0.00 52.86 53.56 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 0.01 -0.74 0.00 -0.47 -2.94 0.00 0.00 177.10 172.96 2cub s TYR 26 N 3.44 3.13 -0.41 1.54 6.14 0.20 -4.91 117.35 126.48 2cub s TYR 26 Ca 0.52 -0.07 -0.10 0.00 0.64 0.00 0.00 57.07 58.05 2cub s TYR 26 Cb -0.20 -1.96 0.06 0.00 0.42 0.00 0.00 41.96 40.29 2cub s TYR 26 CO 0.12 0.14 0.25 0.00 0.64 0.00 0.00 175.55 176.70 2cub s MET 27 N 0.08 2.71 0.34 4.97 0.23 -1.26 -1.18 119.30 125.20 2cub s MET 27 Ca 0.02 -1.31 -0.25 0.00 -1.03 0.00 0.00 55.69 53.13 2cub s MET 27 Cb -0.13 -3.78 -0.10 0.00 -1.53 0.00 0.00 34.83 29.29 2cub s MET 27 CO 0.02 -0.86 0.93 0.00 -2.03 0.00 0.00 175.02 173.08 2cub s ALA 28 N 1.49 3.18 -0.01 3.16 0.00 -1.26 -4.97 121.76 123.35 2cub s ALA 28 Ca 0.02 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2cub s ALA 28 Cb -0.22 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2cub s ALA 28 CO 0.04 0.18 0.04 0.39 0.00 0.00 0.00 175.76 176.41 2cub n GLU 29 N 0.30 0.89 -4.81 0.00 1.02 -1.26 -4.93 120.64 111.85 2cub n GLU 29 Ca 0.03 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 2cub n GLU 29 Cb 0.51 -0.98 -0.13 0.00 -0.02 0.00 0.00 31.44 30.83 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 -1.99 2.59 0.37 3.49 0.52 -1.26 -5.01 118.95 117.66 2cub s ARG 30 Ca -0.00 -0.65 0.15 0.00 -0.52 0.00 0.00 55.73 54.71 2cub s ARG 30 Cb 0.01 -2.45 1.02 0.00 0.52 0.00 0.00 34.95 34.05 2cub s ARG 30 CO 0.07 0.63 1.75 1.49 0.02 0.00 0.00 175.30 179.26 2cub h GLU 31 N 5.34 0.45 0.00 3.54 4.57 -1.99 0.82 114.58 127.31 2cub h GLU 31 Ca -0.47 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 2cub h GLU 31 Cb 1.16 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2cub h GLU 31 CO 0.51 0.30 -0.19 -0.44 -1.18 0.00 0.00 179.01 178.00 2cub h ASP 32 N 0.46 0.00 -3.39 1.04 3.32 -1.95 -3.43 116.42 112.48 2cub h ASP 32 Ca 0.62 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 57.13 2cub h ASP 32 Cb 1.42 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.94 2cub h ASP 32 CO -0.38 0.19 -0.08 -1.61 -1.72 0.00 0.00 179.24 175.65 2cub s GLU 33 N -4.43 3.93 0.14 3.56 8.01 0.29 0.17 118.70 130.36 2cub s GLU 33 Ca -0.03 0.44 0.07 0.00 0.01 0.00 0.00 54.97 55.45 2cub s GLU 33 Cb 0.15 -2.81 -0.04 0.00 -4.31 0.00 0.00 34.13 27.12 2cub s GLU 33 CO 0.67 0.41 -0.01 -1.17 0.01 0.00 0.00 175.26 175.16 2cub s LEU 34 N -2.30 3.33 -0.13 1.80 2.96 -0.77 -4.61 118.68 118.96 2cub s LEU 34 Ca 0.42 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.88 2cub s LEU 34 Cb -0.14 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2cub s LEU 34 CO 0.20 0.12 0.25 -0.55 -1.32 0.00 0.00 176.35 175.06 2cub s SER 35 N -2.68 6.45 -0.07 3.68 0.15 -1.26 -4.27 113.70 115.71 2cub s SER 35 Ca 0.26 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.47 2cub s SER 35 Cb -0.10 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2cub s SER 35 CO 0.18 0.21 -0.12 -0.76 1.20 0.00 0.00 173.24 173.95 2cub s LEU 36 N -0.12 2.85 -0.23 3.45 1.43 -0.32 -4.93 118.68 120.82 2cub s LEU 36 Ca 0.16 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 2cub s LEU 36 Cb -0.13 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2cub s LEU 36 CO 0.05 0.33 0.01 -0.63 0.23 0.00 0.00 176.35 176.33 2cub s ILE 37 N -0.60 3.89 -0.28 -0.59 1.01 -1.26 0.60 121.20 123.96 2cub s ILE 37 Ca 0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 2cub s ILE 37 Cb -0.11 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.49 2cub s ILE 37 CO 0.01 0.39 2.22 1.17 0.00 0.00 0.00 174.94 178.74 2cub n LYS 38 N 4.70 1.58 0.00 2.79 4.81 -1.26 -1.86 118.16 128.93 2cub n LYS 38 Ca -0.17 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 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 6.09 1.69 3.03 3.14 0.00 -0.02 -4.92 105.19 114.19 2cub n GLY 39 Ca 0.35 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.64 0.00 -4.63 2.61 -2.24 -0.78 -5.00 114.28 103.60 2cub n THR 40 Ca 0.00 -2.08 -0.22 0.00 -2.27 0.00 0.00 64.05 59.48 2cub n THR 40 Cb 0.00 0.60 -0.15 0.00 -2.10 0.00 0.00 70.33 68.68 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 -3.46 1.14 0.34 -0.78 2.20 -1.26 -1.76 119.74 116.17 2cub s LYS 41 Ca 0.10 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 2cub s LYS 41 Cb 0.00 -1.09 -0.06 0.00 -1.51 0.00 0.00 37.83 35.17 2cub s LYS 41 CO 0.07 0.28 0.06 0.14 -0.36 0.00 0.00 175.35 175.54 2cub s VAL 42 N -0.27 1.20 -0.26 4.02 -7.23 -0.59 -4.91 120.40 112.35 2cub s VAL 42 Ca 0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2cub s VAL 42 Cb -0.06 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.19 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 -3.23 2.18 -0.03 -0.62 -1.09 -0.98 -0.21 121.20 117.21 2cub s ILE 43 Ca 0.34 -1.63 -0.30 0.00 -2.23 0.00 0.00 60.65 56.83 2cub s ILE 43 Cb 0.08 -2.28 -0.04 0.00 -1.58 0.00 0.00 42.46 38.64 2cub s ILE 43 CO 0.15 -0.02 1.20 -0.69 -1.23 0.00 0.00 174.94 174.35 2cub s VAL 44 N 1.10 4.21 -0.11 2.92 1.01 0.89 -0.53 120.40 129.89 2cub s VAL 44 Ca -0.09 1.55 0.06 0.00 0.00 0.00 0.00 61.98 63.50 2cub s VAL 44 Cb -0.20 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 2cub s VAL 44 CO -0.05 0.03 -0.02 0.23 0.00 0.00 0.00 175.10 175.28 2cub n MET 45 N 4.91 1.55 -4.07 2.72 2.81 0.96 0.95 117.12 126.95 2cub n MET 45 Ca 0.10 0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.93 2cub n MET 45 Cb 0.46 -1.26 -0.10 0.00 -0.71 0.00 0.00 33.22 31.61 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 -2.25 0.56 0.00 0.03 2.12 0.24 0.15 118.70 119.56 2cub s GLU 46 Ca -0.10 -1.01 0.03 0.00 0.36 0.00 0.00 54.97 54.25 2cub s GLU 46 Cb 0.04 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 2cub s GLU 46 CO 0.36 -0.05 -0.09 0.15 -0.54 0.00 0.00 175.26 175.10 2cub s LYS 47 N -2.89 0.66 0.32 4.30 1.02 -0.80 -0.14 119.74 122.22 2cub s LYS 47 Ca -0.01 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.68 2cub s LYS 47 Cb -0.00 -0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 36.66 2cub s LYS 47 CO -0.05 0.16 0.25 0.00 -0.92 0.00 0.00 175.35 174.79 2cub h SER 49 N 1.34 0.00 -0.87 0.00 4.64 -1.92 -3.35 113.55 113.40 2cub h SER 49 Ca -0.45 -0.30 0.35 0.00 -0.47 0.00 0.00 61.79 60.92 2cub h SER 49 Cb 1.25 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.18 2cub h SER 49 CO 0.59 0.75 0.43 -0.67 -0.87 0.00 0.00 176.83 177.06 2cub n ASP 50 N -4.68 0.27 0.00 4.97 -0.08 -1.26 -4.63 116.55 111.14 2cub n ASP 50 Ca -0.06 1.44 0.00 0.00 -1.51 0.00 0.00 54.79 54.66 2cub n ASP 50 Cb 0.22 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 42.99 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 -1.24 0.48 3.25 0.27 0.00 -1.26 -5.15 105.19 101.53 2cub n GLY 51 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.49 2.39 0.14 1.61 0.52 -1.26 -4.26 118.94 117.59 2cub s TRP 52 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 56.10 55.43 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 -0.24 0.04 -1.58 0.02 0.00 0.00 176.95 175.19 2cub s TRP 53 N -0.08 2.99 -0.18 -1.98 0.52 -0.07 0.12 118.94 120.25 2cub s TRP 53 Ca -0.06 -0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.01 2cub s TRP 53 Cb -0.14 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.74 2cub s TRP 53 CO 0.04 0.51 -0.09 0.50 0.02 0.00 0.00 176.95 177.93 2cub s ARG 54 N -2.76 1.84 0.00 4.98 3.52 0.81 -0.32 118.95 127.01 2cub s ARG 54 Ca 0.28 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2cub s ARG 54 Cb -0.10 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 2cub s ARG 54 CO 0.20 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 2cub n GLY 55 N 4.76 5.27 3.20 8.12 0.00 -1.16 -0.02 105.19 125.36 2cub n GLY 55 Ca -0.14 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 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 1.74 -0.27 1.61 0.15 0.31 -2.82 113.70 115.12 2cub s SER 56 Ca 0.00 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.87 2cub s SER 56 Cb 0.00 -0.04 0.14 0.00 -1.71 0.00 0.00 66.02 64.42 2cub s SER 56 CO 0.00 -0.17 0.38 -0.47 1.20 0.00 0.00 173.24 174.18 2cub s TYR 57 N -2.09 -0.85 -1.05 3.44 5.04 0.10 -2.32 117.35 119.63 2cub s TYR 57 Ca 0.06 0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 55.18 2cub s TYR 57 Cb -0.05 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.16 2cub s TYR 57 CO 0.02 -0.84 0.90 -1.71 -1.34 0.00 0.00 175.55 172.58 2cub n ASN 58 N 5.35 -3.93 0.00 4.32 5.15 -1.26 -2.05 115.26 122.84 2cub n ASN 58 Ca -0.02 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 2cub n ASN 58 Cb 0.49 -4.24 0.00 0.00 -0.53 0.00 0.00 39.78 35.51 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cub n GLY 59 N -1.44 2.95 3.88 8.20 0.00 -1.26 -5.00 105.19 112.51 2cub n GLY 59 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.18 3.63 -0.02 1.61 1.11 -0.87 -5.09 119.66 119.86 2cub s GLN 60 Ca 0.00 0.48 -0.06 0.00 0.01 0.00 0.00 55.36 55.79 2cub s GLN 60 Cb 0.00 -2.26 0.00 0.00 -1.01 0.00 0.00 33.01 29.74 2cub s GLN 60 CO 0.00 -0.30 0.13 0.08 0.01 0.00 0.00 175.29 175.22 2cub s VAL 61 N -2.81 0.06 -0.58 1.09 1.01 -1.26 0.00 120.40 117.91 2cub s VAL 61 Ca 0.51 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2cub s VAL 61 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2cub s VAL 61 CO 0.44 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2cub n GLY 62 N 1.95 -1.29 3.77 4.51 0.00 -1.13 -4.71 105.19 108.30 2cub n GLY 62 Ca -0.20 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.23 3.55 0.01 1.61 0.52 0.13 -2.98 118.94 119.54 2cub s TRP 63 Ca 0.00 0.70 -0.09 0.00 0.02 0.00 0.00 56.10 56.73 2cub s TRP 63 Cb 0.00 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 30.04 2cub s TRP 63 CO 0.00 0.40 0.17 -0.59 0.02 0.00 0.00 176.95 176.95 2cub s PHE 64 N -0.10 0.02 -0.12 -1.98 -0.12 0.57 -1.85 117.98 114.39 2cub s PHE 64 Ca 0.18 -0.12 -0.29 0.00 -0.05 0.00 0.00 56.93 56.65 2cub s PHE 64 Cb -0.14 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 2cub s PHE 64 CO 0.06 -0.33 1.54 -1.25 -0.05 0.00 0.00 175.22 175.19 2cub s PRO 65 N -1.65 4.11 0.39 1.99 0.04 -1.26 -0.89 135.00 137.73 2cub s PRO 65 Ca -0.12 1.93 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2cub s PRO 65 Cb -0.06 -3.94 0.82 0.00 0.04 0.00 0.00 34.50 31.37 2cub s PRO 65 CO 0.01 -0.91 2.01 0.66 0.04 0.00 0.00 177.00 178.81 2cub h SER 66 N 9.45 0.54 -0.18 6.66 4.64 -1.90 -1.02 113.55 131.75 2cub h SER 66 Ca -0.35 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.02 2cub h SER 66 Cb 1.15 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2cub h SER 66 CO 0.97 0.37 0.46 0.78 -0.87 0.00 0.00 176.83 178.54 2cub h ASN 67 N 0.63 0.00 1.10 4.97 2.35 -1.90 0.81 115.58 123.53 2cub h ASN 67 Ca 0.22 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.84 2cub h ASN 67 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2cub h ASN 67 CO -0.06 0.00 -0.95 1.88 -1.65 0.00 0.00 177.43 176.65 2cub h TYR 68 N 0.00 0.00 -1.80 1.19 -1.99 -1.52 -3.46 116.97 109.38 2cub h TYR 68 Ca 0.08 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.25 2cub h TYR 68 Cb 0.99 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.64 2cub h TYR 68 CO 0.00 0.54 -0.54 0.14 -0.00 0.00 0.00 178.16 178.29 2cub s VAL 69 N -2.95 2.70 -0.01 -2.88 -7.23 0.28 0.18 120.40 110.48 2cub s VAL 69 Ca 0.01 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2cub s VAL 69 Cb 0.08 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 34.10 2cub s VAL 69 CO 0.78 -0.13 -0.01 0.28 -0.31 0.00 0.00 175.10 175.71 2cub s THR 70 N -2.50 0.17 -0.63 5.32 -1.32 0.01 -4.82 115.64 111.87 2cub s THR 70 Ca 0.38 -0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.60 2cub s THR 70 Cb 0.00 -0.21 -0.11 0.00 -1.51 0.00 0.00 72.50 70.68 2cub s THR 70 CO 0.22 0.09 2.43 -0.62 -2.21 0.00 0.00 174.62 174.53 2cub n GLU 71 N 3.58 0.80 -3.51 7.08 1.02 -1.26 0.16 120.64 128.50 2cub n GLU 71 Ca -0.20 -0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.25 2cub n GLU 71 Cb 0.55 -3.35 -0.08 0.00 -0.02 0.00 0.00 31.44 28.54 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 8.50 2.64 0.00 3.49 2.56 -0.99 -4.93 118.70 129.97 2cub s GLU 72 Ca 1.00 -1.65 0.00 0.00 0.00 0.00 0.00 54.97 54.32 2cub s GLU 72 Cb -0.24 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 31.91 2cub s GLU 72 CO 0.23 -1.15 0.00 0.41 -0.56 0.00 0.00 175.26 174.19 2cub n GLY 73 N 4.99 0.25 3.12 -1.50 0.00 -1.26 -4.50 105.19 106.29 2cub n GLY 73 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2cub n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cub s ASP 74 N -1.00 -0.29 0.03 1.61 -1.08 -1.26 -5.09 116.67 109.59 2cub s ASP 74 Ca 0.00 0.55 -0.18 0.00 -0.52 0.00 0.00 52.55 52.40 2cub s ASP 74 Cb 0.00 0.50 -0.06 0.00 -1.46 0.00 0.00 42.92 41.90 2cub s ASP 74 CO 0.00 -0.13 0.53 -0.44 0.52 0.00 0.00 175.17 175.65 2cub s SER 75 N 0.70 6.96 0.03 -0.34 0.01 -1.26 -5.04 113.70 114.75 2cub s SER 75 Ca -0.05 1.14 -0.30 0.00 1.31 0.00 0.00 55.95 58.05 2cub s SER 75 Cb -0.06 -2.33 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 2cub s SER 75 CO -0.04 0.24 1.43 -2.16 0.41 0.00 0.00 173.24 173.11 2cub s PRO 76 N -0.81 4.28 -0.35 12.44 0.04 -1.26 -4.96 135.00 144.38 2cub s PRO 76 Ca 0.28 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 2cub s PRO 76 Cb -0.18 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2cub s PRO 76 CO 0.17 -0.57 1.37 -0.51 0.04 0.00 0.00 177.00 177.50 2cub s LEU 77 N 2.20 3.75 0.00 -3.56 2.01 -1.26 -4.68 118.68 117.14 2cub s LEU 77 Ca 0.65 1.06 0.00 0.00 0.01 0.00 0.00 54.13 55.85 2cub s LEU 77 Cb -0.33 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.33 2cub s LEU 77 CO 0.28 -1.25 0.00 0.61 1.01 0.00 0.00 176.35 177.00 2cub n GLY 78 N 4.67 -0.64 3.75 -3.19 0.00 -1.26 -5.13 105.19 103.40 2cub n GLY 78 Ca 0.16 0.56 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 2cub n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 79 N -4.00 6.64 0.38 1.61 1.01 -1.26 -5.03 116.67 116.03 2cub s ASP 79 Ca 0.00 2.72 0.08 0.00 0.71 0.00 0.00 52.55 56.05 2cub s ASP 79 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2cub s ASP 79 CO 0.00 -0.69 0.13 -1.38 0.21 0.00 0.00 175.17 173.44 2cub s HIS 80 N -0.33 2.61 0.17 4.23 -3.43 -1.26 -5.07 115.29 112.20 2cub s HIS 80 Ca 0.57 -0.52 -0.30 0.00 -0.80 0.00 0.00 55.06 54.01 2cub s HIS 80 Cb -0.42 -1.79 -0.07 0.00 -1.43 0.00 0.00 32.58 28.87 2cub s HIS 80 CO 0.47 0.29 1.10 0.54 -2.00 0.00 0.00 174.74 175.14 2cub s VAL 81 N -2.56 3.92 -0.42 -5.38 0.11 -1.26 -5.01 120.40 109.80 2cub s VAL 81 Ca 0.39 1.63 -0.15 0.00 -2.93 0.00 0.00 61.98 60.92 2cub s VAL 81 Cb 0.02 -4.04 0.03 0.00 -1.53 0.00 0.00 36.38 30.85 2cub s VAL 81 CO 0.22 0.27 0.32 -0.83 -3.33 0.00 0.00 175.10 171.74 2cub s GLY 82 N -0.03 2.01 0.44 6.54 0.00 -1.26 -5.07 107.32 109.95 2cub s GLY 82 Ca 0.50 -1.76 0.07 0.00 0.00 0.00 0.00 44.72 43.53 2cub s GLY 82 CO 0.34 0.94 0.39 -1.35 0.00 0.00 0.00 173.10 173.43 2cub s SER 83 N 1.80 4.96 0.00 1.64 1.04 -1.26 -5.11 113.70 116.77 2cub s SER 83 Ca 0.05 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2cub s SER 83 Cb -0.20 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.54 2cub s SER 83 CO 0.10 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2cub n GLY 84 N -1.60 1.17 0.04 7.32 0.00 -1.26 -4.91 105.19 105.95 2cub n GLY 84 Ca 0.03 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.01 2cub n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cub n PRO 85 N 0.00 0.05 -0.03 1.61 -0.04 -1.26 -3.10 135.00 132.24 2cub n PRO 85 Ca 0.00 0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.63 2cub n PRO 85 Cb 0.00 -1.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 2cub n PRO 85 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2cub h SER 86 N 0.00 0.09 -3.71 3.54 0.02 -2.01 -3.37 113.55 108.12 2cub h SER 86 Ca 0.00 -0.56 -0.77 0.00 -0.84 0.00 0.00 61.79 59.62 2cub h SER 86 Cb 0.28 -0.03 -0.29 0.00 0.14 0.00 0.00 62.40 62.50 2cub h SER 86 CO 0.00 0.63 0.16 -0.44 -1.14 0.00 0.00 176.83 176.04 2cub s SER 87 N -5.88 6.73 0.00 3.07 0.01 -1.18 -5.19 113.70 111.26 2cub s SER 87 Ca -0.16 -3.17 0.15 0.00 1.31 0.00 0.00 55.95 54.07 2cub s SER 87 Cb 0.02 -2.14 0.87 0.00 0.21 0.00 0.00 66.02 64.98 2cub s SER 87 CO 0.70 -0.40 1.29 0.61 0.41 0.00 0.00 173.24 175.85