#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 5.20 -0.16 1.61 0.15 -1.26 -5.02 113.70 114.23 2cub s SER 2 Ca 0.00 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.51 2cub s SER 2 Cb 0.00 -1.84 -0.09 0.00 -1.71 0.00 0.00 66.02 62.38 2cub s SER 2 CO 0.00 0.19 0.04 0.28 1.20 0.00 0.00 173.24 174.95 2cub h SER 3 N 6.55 0.00 -2.46 5.45 0.02 -2.11 -3.47 113.55 117.53 2cub h SER 3 Ca -0.35 -0.23 -0.61 0.00 -0.84 0.00 0.00 61.79 59.76 2cub h SER 3 Cb 1.18 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.83 2cub h SER 3 CO 0.65 0.97 0.14 0.61 -1.14 0.00 0.00 176.83 178.07 2cub n GLY 4 N 1.58 -0.23 3.34 -3.77 0.00 -1.26 -4.93 105.19 99.93 2cub n GLY 4 Ca -0.14 0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.52 6.05 0.27 1.61 0.01 -1.26 -5.05 113.70 114.80 2cub s SER 5 Ca 0.59 -1.48 0.07 0.00 1.31 0.00 0.00 55.95 56.44 2cub s SER 5 Cb -0.71 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 63.32 2cub s SER 5 CO 0.60 -0.67 -0.07 -0.44 0.41 0.00 0.00 173.24 173.06 2cub s SER 6 N 2.73 2.68 0.00 2.44 0.01 -1.26 -4.84 113.70 115.46 2cub s SER 6 Ca 0.04 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2cub s SER 6 Cb -0.25 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2cub s SER 6 CO 0.05 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2cub n GLY 7 N -0.55 2.76 2.89 3.44 0.00 -1.26 -4.95 105.19 107.52 2cub n GLY 7 Ca -0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2cub n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cub s ASP 8 N 0.00 0.07 0.24 1.61 -1.08 -1.26 -5.14 116.67 111.11 2cub s ASP 8 Ca 0.00 -0.06 -0.30 0.00 -0.52 0.00 0.00 52.55 51.67 2cub s ASP 8 Cb 0.00 0.01 -0.09 0.00 -1.46 0.00 0.00 42.92 41.37 2cub s ASP 8 CO 0.00 -0.03 1.28 -2.16 0.52 0.00 0.00 175.17 174.78 2cub s PRO 9 N -0.18 4.42 -0.01 4.34 0.04 -1.26 -4.98 135.00 137.38 2cub s PRO 9 Ca -0.02 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 2cub s PRO 9 Cb -0.01 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 31.21 2cub s PRO 9 CO -0.00 -0.17 1.06 0.78 0.04 0.00 0.00 177.00 178.71 2cub h GLY 10 N 4.66 -0.47 -5.31 0.56 0.00 -2.00 -3.44 103.07 97.05 2cub h GLY 10 Ca -0.46 0.18 -0.68 0.00 0.00 0.00 0.00 47.33 46.37 2cub h GLY 10 CO 0.73 -0.17 -0.87 1.85 0.00 0.00 0.00 176.54 178.08 2cub s GLU 11 N -4.21 3.02 0.12 4.80 2.56 -1.26 -5.13 118.70 118.60 2cub s GLU 11 Ca -0.13 -0.86 0.02 0.00 0.00 0.00 0.00 54.97 54.00 2cub s GLU 11 Cb 0.02 -2.32 -0.04 0.00 2.00 0.00 0.00 34.13 33.79 2cub s GLU 11 CO 0.47 0.22 0.25 0.50 -0.56 0.00 0.00 175.26 176.14 2cub s ARG 12 N 0.26 3.39 -0.27 4.30 3.52 -1.26 -5.09 118.95 123.80 2cub s ARG 12 Ca -0.16 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 54.80 2cub s ARG 12 Cb -0.17 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2cub s ARG 12 CO 0.08 0.55 0.08 -0.51 -0.81 0.00 0.00 175.30 174.69 2cub s LEU 13 N -2.99 3.63 0.31 -0.88 2.01 -1.26 -5.08 118.68 114.42 2cub s LEU 13 Ca 0.34 -0.39 0.01 0.00 0.01 0.00 0.00 54.13 54.10 2cub s LEU 13 Cb -0.12 -1.92 -0.02 0.00 0.01 0.00 0.00 46.19 44.15 2cub s LEU 13 CO 0.28 -0.10 0.33 -0.72 1.01 0.00 0.00 176.35 177.15 2cub s TYR 14 N 1.58 1.32 -1.76 0.29 -0.85 -1.26 -2.49 117.35 114.18 2cub s TYR 14 Ca 0.05 -1.42 -0.22 0.00 -0.52 0.00 0.00 57.07 54.95 2cub s TYR 14 Cb -0.16 -0.41 0.22 0.00 0.38 0.00 0.00 41.96 41.99 2cub s TYR 14 CO 0.04 -0.93 0.56 -3.47 -1.52 0.00 0.00 175.55 170.23 2cub n ASP 15 N -1.19 -1.75 0.07 -0.18 -0.08 0.30 -4.81 116.55 108.91 2cub n ASP 15 Ca 0.04 -1.14 -0.11 0.00 -1.51 0.00 0.00 54.79 52.06 2cub n ASP 15 Cb 0.63 -1.53 -0.08 0.00 2.34 0.00 0.00 41.12 42.48 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 -0.81 -0.21 0.44 -2.67 4.07 -1.65 -3.48 115.31 111.01 2cub h LEU 16 Ca -0.56 -0.33 -0.13 0.00 0.08 0.00 0.00 57.88 56.94 2cub h LEU 16 Cb 1.34 0.05 0.01 0.00 1.08 0.00 0.00 40.66 43.14 2cub h LEU 16 CO 0.84 0.31 -0.18 -3.20 -1.08 0.00 0.00 178.44 175.12 2cub n ASN 17 N -4.96 -2.77 -4.62 -0.43 2.85 0.23 -4.99 115.26 100.57 2cub n ASN 17 Ca -0.08 -0.05 -0.42 0.00 -0.11 0.00 0.00 54.58 53.92 2cub n ASN 17 Cb 0.26 -1.90 -0.05 0.00 1.24 0.00 0.00 39.78 39.34 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 -4.61 4.00 -0.03 1.20 -1.94 -0.64 -4.76 119.30 112.52 2cub s MET 18 Ca 0.05 0.63 -0.30 0.00 -1.71 0.00 0.00 55.69 54.36 2cub s MET 18 Cb -0.02 -3.71 -0.05 0.00 2.01 0.00 0.00 34.83 33.05 2cub s MET 18 CO 0.06 -0.65 1.47 -1.25 -0.01 0.00 0.00 175.02 174.64 2cub s PRO 19 N 2.93 4.24 0.46 2.03 0.04 -1.26 -0.41 135.00 143.02 2cub s PRO 19 Ca 0.32 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.44 2cub s PRO 19 Cb -0.14 -3.71 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 2cub s PRO 19 CO 0.12 -0.68 0.17 0.00 0.04 0.00 0.00 177.00 176.65 2cub s ALA 20 N 2.99 3.83 -0.15 8.56 0.00 0.85 -3.76 121.76 134.07 2cub s ALA 20 Ca 0.66 -1.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 2cub s ALA 20 Cb -0.31 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.53 2cub s ALA 20 CO 0.26 -0.19 -0.07 -0.47 0.00 0.00 0.00 175.76 175.29 2cub s TYR 21 N -2.70 1.76 -0.40 0.00 5.04 0.22 -1.55 117.35 119.72 2cub s TYR 21 Ca 0.32 -1.05 -0.28 0.00 -2.44 0.00 0.00 57.07 53.62 2cub s TYR 21 Cb 0.03 -1.35 -0.03 0.00 0.35 0.00 0.00 41.96 40.96 2cub s TYR 21 CO 0.18 -0.60 1.92 0.08 -1.34 0.00 0.00 175.55 175.78 2cub s VAL 22 N 1.62 3.35 0.05 3.14 1.01 -0.64 -0.70 120.40 128.23 2cub s VAL 22 Ca 0.02 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2cub s VAL 22 Cb -0.14 -3.58 -0.23 0.00 0.00 0.00 0.00 36.38 32.43 2cub s VAL 22 CO -0.08 -0.44 1.02 0.11 0.00 0.00 0.00 175.10 175.71 2cub h LYS 23 N 14.27 0.05 -4.67 2.72 1.57 -0.07 -1.53 116.57 128.91 2cub h LYS 23 Ca -0.32 -0.09 -0.40 0.00 -1.87 0.00 0.00 60.65 57.98 2cub h LYS 23 Cb 1.18 0.03 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 2cub h LYS 23 CO 1.08 0.88 -0.78 -0.06 -0.57 0.00 0.00 179.45 180.00 2cub s PHE 24 N -2.66 0.81 -0.25 -1.35 0.08 -0.96 -4.70 117.98 108.96 2cub s PHE 24 Ca -0.03 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.57 2cub s PHE 24 Cb 0.09 -0.54 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 2cub s PHE 24 CO 0.83 -0.03 1.51 0.54 -0.10 0.00 0.00 175.22 177.97 2cub s ASN 25 N -0.12 6.48 -0.11 1.36 4.22 -1.26 -4.37 114.94 121.15 2cub s ASN 25 Ca 0.02 1.49 -0.13 0.00 -2.14 0.00 0.00 52.86 52.10 2cub s ASN 25 Cb -0.04 -2.53 -0.05 0.00 1.28 0.00 0.00 41.25 39.90 2cub s ASN 25 CO -0.00 -1.19 0.30 -0.47 -2.04 0.00 0.00 177.10 173.69 2cub s TYR 26 N 4.90 3.56 -0.43 1.54 6.14 -0.97 -4.91 117.35 127.18 2cub s TYR 26 Ca 0.66 0.69 -0.12 0.00 0.64 0.00 0.00 57.07 58.95 2cub s TYR 26 Cb -0.22 -2.26 0.06 0.00 0.42 0.00 0.00 41.96 39.97 2cub s TYR 26 CO 0.27 0.44 0.29 0.00 0.64 0.00 0.00 175.55 177.19 2cub s MET 27 N -0.22 2.77 0.42 4.97 0.23 -1.26 -1.98 119.30 124.23 2cub s MET 27 Ca 0.18 -1.34 -0.15 0.00 -1.03 0.00 0.00 55.69 53.36 2cub s MET 27 Cb -0.14 -3.89 -0.08 0.00 -1.53 0.00 0.00 34.83 29.19 2cub s MET 27 CO 0.07 -0.92 0.84 0.00 -2.03 0.00 0.00 175.02 172.98 2cub s ALA 28 N 1.52 3.22 0.00 3.16 0.00 -1.26 -4.99 121.76 123.42 2cub s ALA 28 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2cub s ALA 28 Cb -0.23 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2cub s ALA 28 CO 0.05 0.04 0.00 0.39 0.00 0.00 0.00 175.76 176.23 2cub n GLU 29 N -1.04 2.03 -4.51 0.00 1.02 -1.26 -4.94 120.64 111.95 2cub n GLU 29 Ca 0.04 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.85 2cub n GLU 29 Cb 0.54 -0.88 -0.10 0.00 -0.02 0.00 0.00 31.44 30.97 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 -1.61 2.72 0.36 3.49 0.52 -1.26 -5.00 118.95 118.16 2cub s ARG 30 Ca 0.00 -0.59 0.15 0.00 -0.52 0.00 0.00 55.73 54.77 2cub s ARG 30 Cb 0.00 -2.60 1.05 0.00 0.52 0.00 0.00 34.95 33.92 2cub s ARG 30 CO 0.00 0.65 1.71 1.49 0.02 0.00 0.00 175.30 179.17 2cub h GLU 31 N 4.91 0.40 -0.09 3.54 4.22 -1.99 0.91 114.58 126.48 2cub h GLU 31 Ca -0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 58.90 2cub h GLU 31 Cb 1.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2cub h GLU 31 CO 0.54 0.27 -0.07 -0.44 -2.18 0.00 0.00 179.01 177.12 2cub h ASP 32 N 0.41 0.12 -3.54 1.04 5.19 -1.94 -3.43 116.42 114.28 2cub h ASP 32 Ca 0.67 -0.02 -0.52 0.00 -0.62 0.00 0.00 57.03 56.55 2cub h ASP 32 Cb 1.55 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 41.00 2cub h ASP 32 CO -0.46 0.22 0.05 -1.61 -3.12 0.00 0.00 179.24 174.32 2cub s GLU 33 N -4.87 4.12 0.06 3.56 2.02 0.32 0.13 118.70 124.03 2cub s GLU 33 Ca -0.05 0.72 0.05 0.00 0.02 0.00 0.00 54.97 55.70 2cub s GLU 33 Cb 0.16 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 2cub s GLU 33 CO 0.70 0.36 -0.05 -1.17 0.02 0.00 0.00 175.26 175.13 2cub s LEU 34 N -2.20 3.25 -0.35 1.80 2.96 -1.11 -4.57 118.68 118.45 2cub s LEU 34 Ca 0.44 -0.21 -0.17 0.00 -0.22 0.00 0.00 54.13 53.98 2cub s LEU 34 Cb -0.15 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 2cub s LEU 34 CO 0.20 0.22 0.44 -0.44 -1.32 0.00 0.00 176.35 175.45 2cub s SER 35 N -1.90 6.24 0.46 3.68 0.01 -1.26 -4.31 113.70 116.63 2cub s SER 35 Ca 0.21 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.26 2cub s SER 35 Cb -0.11 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2cub s SER 35 CO 0.13 -0.43 0.71 -0.76 0.41 0.00 0.00 173.24 173.29 2cub s LEU 36 N 2.20 3.64 -0.07 2.44 1.43 -0.84 -4.91 118.68 122.57 2cub s LEU 36 Ca 0.15 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2cub s LEU 36 Cb -0.16 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.72 2cub s LEU 36 CO 0.13 -0.68 -0.08 -0.63 0.23 0.00 0.00 176.35 175.32 2cub s ILE 37 N -2.62 0.86 -0.11 -0.59 1.01 -1.26 -2.29 121.20 116.20 2cub s ILE 37 Ca 0.48 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 2cub s ILE 37 Cb -0.10 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 2cub s ILE 37 CO 0.40 0.31 1.97 -0.75 0.00 0.00 0.00 174.94 176.86 2cub s LYS 38 N 1.07 3.71 0.00 2.79 2.20 -1.26 -2.41 119.74 125.84 2cub s LYS 38 Ca -0.08 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 2cub s LYS 38 Cb -0.14 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2cub s LYS 38 CO -0.01 -1.43 0.00 0.41 -0.36 0.00 0.00 175.35 173.96 2cub n GLY 39 N 4.98 1.53 3.15 5.54 0.00 -0.57 -4.93 105.19 114.89 2cub n GLY 39 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.12 0.00 -4.68 2.61 -2.24 -1.01 -5.01 114.28 102.82 2cub n THR 40 Ca 0.00 -2.22 -0.23 0.00 -2.27 0.00 0.00 64.05 59.34 2cub n THR 40 Cb 0.00 0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 68.83 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 -3.48 1.20 0.33 -0.78 2.20 -1.26 -1.63 119.74 116.32 2cub s LYS 41 Ca 0.17 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 2cub s LYS 41 Cb 0.01 -1.15 -0.07 0.00 -1.51 0.00 0.00 37.83 35.11 2cub s LYS 41 CO 0.12 0.31 0.03 0.14 -0.36 0.00 0.00 175.35 175.58 2cub s VAL 42 N -0.32 1.42 -0.25 4.02 -7.23 -0.59 -4.94 120.40 112.51 2cub s VAL 42 Ca 0.05 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 2cub s VAL 42 Cb -0.06 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.18 2cub s VAL 42 CO -0.00 -0.07 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.97 2cub s ILE 43 N -3.14 2.15 0.10 -0.62 -1.09 -1.01 -0.11 121.20 117.49 2cub s ILE 43 Ca 0.35 -1.58 -0.30 0.00 -2.23 0.00 0.00 60.65 56.89 2cub s ILE 43 Cb 0.08 -2.24 -0.06 0.00 -1.58 0.00 0.00 42.46 38.66 2cub s ILE 43 CO 0.15 0.02 1.19 -0.69 -1.23 0.00 0.00 174.94 174.38 2cub s VAL 44 N 1.12 3.91 -0.02 2.92 1.01 0.45 -0.53 120.40 129.26 2cub s VAL 44 Ca -0.08 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.35 2cub s VAL 44 Cb -0.19 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2cub s VAL 44 CO -0.06 0.15 0.00 0.23 0.00 0.00 0.00 175.10 175.42 2cub n MET 45 N 3.51 3.18 -4.01 2.72 2.81 0.60 0.75 117.12 126.67 2cub n MET 45 Ca 0.07 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.89 2cub n MET 45 Cb 0.46 -1.05 -0.10 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.05 0.62 -0.00 0.03 8.01 0.69 0.11 118.70 126.10 2cub s GLU 46 Ca -0.01 -1.04 0.01 0.00 0.01 0.00 0.00 54.97 53.94 2cub s GLU 46 Cb 0.01 0.23 -0.00 0.00 -4.31 0.00 0.00 34.13 30.05 2cub s GLU 46 CO 0.07 -0.14 -0.04 0.15 0.01 0.00 0.00 175.26 175.32 2cub s LYS 47 N -3.44 0.29 -0.31 1.61 1.02 -1.04 -0.53 119.74 117.34 2cub s LYS 47 Ca 0.02 -0.16 -0.08 0.00 0.02 0.00 0.00 55.97 55.78 2cub s LYS 47 Cb 0.04 -0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.09 2cub s LYS 47 CO -0.08 0.07 0.11 0.00 -0.92 0.00 0.00 175.35 174.53 2cub n SER 49 N 4.90 0.03 -0.23 0.00 2.88 -1.26 0.11 113.62 120.04 2cub n SER 49 Ca -0.14 1.24 -0.02 0.00 -1.33 0.00 0.00 58.87 58.62 2cub n SER 49 Cb 0.48 -0.50 0.04 0.00 -0.75 0.00 0.00 64.21 63.48 2cub n SER 49 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2cub h ASP 50 N 0.00 -0.94 0.00 -3.46 3.58 -2.07 -3.45 116.42 110.08 2cub h ASP 50 Ca 0.50 0.23 0.00 0.00 0.42 0.00 0.00 57.03 58.18 2cub h ASP 50 Cb 1.16 0.52 0.00 0.00 1.72 0.00 0.00 39.33 42.73 2cub h ASP 50 CO -0.65 -0.27 0.00 0.61 -2.88 0.00 0.00 179.24 176.04 2cub n GLY 51 N -1.46 0.43 3.75 -0.78 0.00 0.30 -5.14 105.19 102.30 2cub n GLY 51 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 3.61 0.39 1.61 0.52 -1.23 -3.96 118.94 119.87 2cub s TRP 52 Ca 0.00 1.69 0.08 0.00 0.02 0.00 0.00 56.10 57.88 2cub s TRP 52 Cb 0.00 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.02 2cub s TRP 52 CO 0.00 -0.51 0.29 -1.58 0.02 0.00 0.00 176.95 175.17 2cub s TRP 53 N -0.94 2.74 -0.12 -1.98 0.52 0.25 -0.48 118.94 118.93 2cub s TRP 53 Ca 0.45 -0.44 -0.04 0.00 0.02 0.00 0.00 56.10 56.09 2cub s TRP 53 Cb -0.31 -1.98 0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2cub s TRP 53 CO 0.39 0.06 0.10 0.50 0.02 0.00 0.00 176.95 178.02 2cub s ARG 54 N -4.02 0.02 0.00 4.98 3.52 0.31 -0.60 118.95 123.15 2cub s ARG 54 Ca 0.44 0.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 2cub s ARG 54 Cb -0.03 -1.15 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 2cub s ARG 54 CO 0.26 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 2cub n GLY 55 N 5.29 5.46 3.07 8.12 0.00 -1.18 -0.22 105.19 125.73 2cub n GLY 55 Ca -0.05 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 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 0.77 -0.28 1.61 0.15 0.31 -3.27 113.70 113.99 2cub s SER 56 Ca 0.00 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2cub s SER 56 Cb 0.00 0.07 0.17 0.00 -1.71 0.00 0.00 66.02 64.55 2cub s SER 56 CO 0.00 -0.31 0.48 -0.47 1.20 0.00 0.00 173.24 174.14 2cub s TYR 57 N -2.05 -1.24 -1.15 3.44 5.04 0.80 -2.39 117.35 119.79 2cub s TYR 57 Ca -0.05 1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.54 2cub s TYR 57 Cb -0.05 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.44 2cub s TYR 57 CO -0.02 -0.88 0.99 -1.71 -1.34 0.00 0.00 175.55 172.59 2cub n ASN 58 N 5.39 -4.28 0.00 4.32 2.85 -1.26 -1.75 115.26 120.53 2cub n ASN 58 Ca -0.01 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 53.95 2cub n ASN 58 Cb 0.51 -4.58 0.00 0.00 1.24 0.00 0.00 39.78 36.95 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 -1.54 2.87 3.84 8.20 0.00 -1.26 -5.00 105.19 112.30 2cub n GLY 59 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.09 4.04 -0.01 1.61 -0.21 -0.71 -5.09 119.66 119.19 2cub s GLN 60 Ca 0.00 0.78 -0.01 0.00 0.02 0.00 0.00 55.36 56.15 2cub s GLN 60 Cb 0.00 -2.35 0.01 0.00 1.00 0.00 0.00 33.01 31.67 2cub s GLN 60 CO 0.00 0.07 0.02 0.08 -2.12 0.00 0.00 175.29 173.35 2cub s VAL 61 N -2.10 -0.01 0.00 1.09 1.01 -1.26 -0.14 120.40 118.99 2cub s VAL 61 Ca 0.56 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2cub s VAL 61 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2cub s VAL 61 CO 0.18 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2cub n GLY 62 N 3.32 1.50 3.23 4.51 0.00 -1.20 -4.81 105.19 111.74 2cub n GLY 62 Ca -0.16 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.87 2.94 0.12 1.61 0.52 0.35 -3.10 118.94 118.50 2cub s TRP 63 Ca 0.00 -1.28 0.07 0.00 0.02 0.00 0.00 56.10 54.92 2cub s TRP 63 Cb 0.00 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 2cub s TRP 63 CO 0.00 -0.66 -0.18 -0.59 0.02 0.00 0.00 176.95 175.54 2cub s PHE 64 N 1.39 1.65 -0.22 -1.98 -0.12 0.23 -2.75 117.98 116.19 2cub s PHE 64 Ca 0.04 -0.46 -0.29 0.00 -0.05 0.00 0.00 56.93 56.17 2cub s PHE 64 Cb -0.15 -0.88 -0.03 0.00 -0.63 0.00 0.00 43.02 41.34 2cub s PHE 64 CO -0.06 0.21 1.61 -1.25 -0.05 0.00 0.00 175.22 175.68 2cub s PRO 65 N -2.27 3.80 0.44 1.99 0.04 -1.26 -0.58 135.00 137.16 2cub s PRO 65 Ca 0.08 1.66 0.15 0.00 0.04 0.00 0.00 61.00 62.93 2cub s PRO 65 Cb -0.08 -4.03 1.05 0.00 0.04 0.00 0.00 34.50 31.48 2cub s PRO 65 CO 0.04 -1.29 1.96 0.66 0.04 0.00 0.00 177.00 178.42 2cub h SER 66 N 10.69 0.36 -0.58 6.66 4.64 -1.90 0.09 113.55 133.51 2cub h SER 66 Ca -0.34 0.01 0.17 0.00 -0.47 0.00 0.00 61.79 61.17 2cub h SER 66 Cb 1.15 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2cub h SER 66 CO 1.00 0.21 0.47 0.78 -0.87 0.00 0.00 176.83 178.42 2cub h ASN 67 N 0.39 0.00 0.99 4.97 2.35 -1.90 0.33 115.58 122.72 2cub h ASN 67 Ca 0.31 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.86 2cub h ASN 67 Cb 0.67 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 2cub h ASN 67 CO -0.09 0.00 -0.93 1.88 -1.65 0.00 0.00 177.43 176.64 2cub h TYR 68 N 0.00 0.00 -1.57 1.19 -1.99 -1.32 -3.46 116.97 109.81 2cub h TYR 68 Ca 0.28 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.52 2cub h TYR 68 Cb 1.22 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.93 2cub h TYR 68 CO 0.00 0.93 -0.37 0.14 -0.00 0.00 0.00 178.16 178.86 2cub s VAL 69 N -2.81 2.89 0.07 -2.88 -7.23 0.12 0.66 120.40 111.22 2cub s VAL 69 Ca 0.01 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2cub s VAL 69 Cb 0.10 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 2cub s VAL 69 CO 0.81 -0.04 -0.05 0.28 -0.31 0.00 0.00 175.10 175.80 2cub s THR 70 N -2.42 0.42 -1.10 5.32 -1.32 0.13 -4.84 115.64 111.82 2cub s THR 70 Ca 0.48 -1.80 -0.15 0.00 -1.21 0.00 0.00 61.69 59.00 2cub s THR 70 Cb -0.05 -1.51 0.17 0.00 -1.51 0.00 0.00 72.50 69.60 2cub s THR 70 CO 0.28 -0.91 1.30 -1.61 -2.21 0.00 0.00 174.62 171.47 2cub s GLU 71 N -3.71 3.94 0.26 7.08 2.02 -1.26 0.73 118.70 127.76 2cub s GLU 71 Ca 0.08 -2.38 -0.30 0.00 0.02 0.00 0.00 54.97 52.38 2cub s GLU 71 Cb 0.06 -4.96 -0.11 0.00 0.10 0.00 0.00 34.13 29.22 2cub s GLU 71 CO -0.07 -1.71 1.53 -2.00 0.02 0.00 0.00 175.26 173.03 2cub s GLU 72 N 1.64 4.19 0.00 1.61 -6.30 -1.25 -4.78 118.70 113.81 2cub s GLU 72 Ca 0.38 2.45 0.00 0.00 -2.50 0.00 0.00 54.97 55.30 2cub s GLU 72 Cb -0.04 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 31.02 2cub s GLU 72 CO -0.04 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.11 2cub n GLY 73 N 2.32 -0.04 3.61 -1.50 0.00 -1.26 -4.91 105.19 103.41 2cub n GLY 73 Ca 0.08 -0.08 -0.56 0.00 0.00 0.00 0.00 46.02 45.47 2cub n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cub n ASP 74 N 0.00 2.23 -3.76 1.61 8.00 -1.26 -4.91 116.55 118.45 2cub n ASP 74 Ca 0.00 0.88 -0.30 0.00 0.71 0.00 0.00 54.79 56.09 2cub n ASP 74 Cb 0.00 -1.16 -0.13 0.00 -0.02 0.00 0.00 41.12 39.81 2cub n ASP 74 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2cub s SER 75 N 4.68 3.80 -0.07 -2.24 0.01 -1.26 -5.10 113.70 113.52 2cub s SER 75 Ca 1.03 -2.68 -0.30 0.00 1.31 0.00 0.00 55.95 55.31 2cub s SER 75 Cb -1.05 -1.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2cub s SER 75 CO 0.62 -0.26 1.50 -2.16 0.41 0.00 0.00 173.24 173.35 2cub s PRO 76 N 0.25 4.21 -0.38 12.44 0.04 -1.26 -4.94 135.00 145.37 2cub s PRO 76 Ca 0.17 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 2cub s PRO 76 Cb -0.25 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2cub s PRO 76 CO 0.00 -0.76 1.92 -0.51 0.04 0.00 0.00 177.00 177.69 2cub s LEU 77 N 3.55 3.45 -0.47 -3.56 2.01 -1.26 -4.89 118.68 117.51 2cub s LEU 77 Ca 0.67 1.20 -0.26 0.00 0.01 0.00 0.00 54.13 55.74 2cub s LEU 77 Cb -0.30 -3.26 -0.06 0.00 0.01 0.00 0.00 46.19 42.58 2cub s LEU 77 CO 0.25 -1.96 2.33 -0.83 1.01 0.00 0.00 176.35 177.15 2cub s GLY 78 N 7.26 -0.26 0.09 -3.19 0.00 -1.26 -4.90 107.32 105.06 2cub s GLY 78 Ca 0.82 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 45.51 2cub s GLY 78 CO 0.31 4.03 0.17 -0.35 0.00 0.00 0.00 173.10 177.26 2cub s ASP 79 N 11.31 0.16 -0.32 1.64 -1.08 -1.26 -5.14 116.67 121.98 2cub s ASP 79 Ca 0.95 -0.73 -0.06 0.00 -0.52 0.00 0.00 52.55 52.19 2cub s ASP 79 Cb -0.18 0.33 0.03 0.00 -1.46 0.00 0.00 42.92 41.64 2cub s ASP 79 CO 0.27 -0.73 0.08 -1.00 0.52 0.00 0.00 175.17 174.30 2cub s HIS 80 N -3.88 3.22 -0.14 -5.34 3.76 -1.26 -5.08 115.29 106.55 2cub s HIS 80 Ca 0.07 -1.35 -0.01 0.00 -0.15 0.00 0.00 55.06 53.62 2cub s HIS 80 Cb 0.05 -2.24 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 2cub s HIS 80 CO -0.09 -0.70 -0.11 0.08 -0.85 0.00 0.00 174.74 173.07 2cub s VAL 81 N 1.41 3.19 0.10 -0.90 1.01 -1.26 -5.11 120.40 118.84 2cub s VAL 81 Ca -0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2cub s VAL 81 Cb -0.19 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2cub s VAL 81 CO 0.02 0.51 0.14 -0.83 0.00 0.00 0.00 175.10 174.95 2cub s GLY 82 N 0.46 0.37 0.29 4.51 0.00 -1.26 -5.17 107.32 106.52 2cub s GLY 82 Ca -0.08 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.79 2cub s GLY 82 CO 0.04 -0.99 0.37 -0.45 0.00 0.00 0.00 173.10 172.07 2cub s SER 83 N -2.92 5.93 0.75 1.64 0.15 -1.26 -5.12 113.70 112.86 2cub s SER 83 Ca 0.10 -0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.53 2cub s SER 83 Cb 0.06 -1.42 0.10 0.00 -1.71 0.00 0.00 66.02 63.04 2cub s SER 83 CO -0.07 -0.25 1.05 -0.83 1.20 0.00 0.00 173.24 174.34 2cub s GLY 84 N -4.04 1.73 0.14 9.45 0.00 -1.26 -5.01 107.32 108.33 2cub s GLY 84 Ca 0.39 -1.16 -0.11 0.00 0.00 0.00 0.00 44.72 43.84 2cub s GLY 84 CO 0.29 -0.66 1.48 -0.56 0.00 0.00 0.00 173.10 173.64 2cub h PRO 85 N -0.74 0.95 -7.00 2.90 0.13 -2.05 -3.45 132.00 122.73 2cub h PRO 85 Ca -0.43 -0.50 -0.52 0.00 -0.87 0.00 0.00 66.00 63.68 2cub h PRO 85 Cb 1.29 0.02 0.21 0.00 0.13 0.00 0.00 31.00 32.65 2cub h PRO 85 CO 0.52 1.16 -0.24 -1.13 -0.23 0.00 0.00 178.00 178.07 2cub n SER 86 N -4.06 -1.08 0.20 1.44 3.41 -1.26 -4.96 113.62 107.32 2cub n SER 86 Ca -0.02 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.82 2cub n SER 86 Cb 0.55 -1.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.13 2cub n SER 86 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2cub h SER 87 N -1.77 -0.49 0.00 4.04 0.02 -2.05 -3.53 113.55 109.77 2cub h SER 87 Ca -0.44 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2cub h SER 87 Cb 1.28 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2cub h SER 87 CO 0.38 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.62