#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub n SER 2 N 0.00 5.45 -4.24 1.61 7.64 -1.26 -4.93 113.62 117.90 2cub n SER 2 Ca 0.00 -3.76 -0.42 0.00 1.01 0.00 0.00 58.87 55.70 2cub n SER 2 Cb 0.00 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.67 2cub n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cub s SER 3 N -3.20 6.41 0.09 6.43 0.15 -1.26 -5.05 113.70 117.28 2cub s SER 3 Ca 0.53 -3.09 -0.31 0.00 0.70 0.00 0.00 55.95 53.78 2cub s SER 3 Cb 0.43 -2.08 -0.08 0.00 -1.71 0.00 0.00 66.02 62.58 2cub s SER 3 CO -0.03 -0.40 1.43 -0.83 1.20 0.00 0.00 173.24 174.62 2cub s GLY 4 N 1.26 1.87 -1.08 9.45 0.00 -1.26 -4.94 107.32 112.63 2cub s GLY 4 Ca 0.22 1.11 -0.19 0.00 0.00 0.00 0.00 44.72 45.86 2cub s GLY 4 CO -0.08 2.46 1.41 -0.56 0.00 0.00 0.00 173.10 176.32 2cub s SER 5 N 1.38 6.71 -1.06 1.64 0.01 -1.26 -4.15 113.70 116.97 2cub s SER 5 Ca 0.66 -2.10 -0.06 0.00 1.31 0.00 0.00 55.95 55.76 2cub s SER 5 Cb -0.37 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.38 2cub s SER 5 CO 0.30 -1.17 0.92 -1.20 0.41 0.00 0.00 173.24 172.50 2cub n SER 6 N 7.51 -4.85 -3.42 2.44 7.64 -1.26 -4.97 113.62 116.70 2cub n SER 6 Ca 0.34 -0.45 -0.27 0.00 1.01 0.00 0.00 58.87 59.51 2cub n SER 6 Cb 0.48 -4.15 -0.08 0.00 -1.01 0.00 0.00 64.21 59.45 2cub n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cub n GLY 7 N -1.60 4.74 3.81 0.23 0.00 -1.26 -5.08 105.19 106.02 2cub n GLY 7 Ca -0.04 -2.73 -0.34 0.00 0.00 0.00 0.00 46.02 42.90 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 -2.42 7.07 0.00 1.61 1.01 -1.26 -4.93 116.67 117.75 2cub s ASP 8 Ca 0.39 1.75 0.15 0.00 0.71 0.00 0.00 52.55 55.55 2cub s ASP 8 Cb 0.15 -2.55 0.87 0.00 1.01 0.00 0.00 42.92 42.39 2cub s ASP 8 CO -0.02 -0.26 1.36 -0.81 0.21 0.00 0.00 175.17 175.65 2cub n PRO 9 N -0.22 0.40 0.00 8.23 -0.04 -1.26 -4.62 135.00 137.49 2cub n PRO 9 Ca 0.05 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2cub n PRO 9 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2cub n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cub n GLY 10 N -0.03 0.44 3.57 0.55 0.00 -1.26 -5.06 105.19 103.40 2cub n GLY 10 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.92 0.32 1.61 -6.30 -1.26 -4.93 118.70 111.06 2cub s GLU 11 Ca 0.00 -1.07 0.08 0.00 -2.50 0.00 0.00 54.97 51.48 2cub s GLU 11 Cb 0.00 -5.26 -0.04 0.00 0.00 0.00 0.00 34.13 28.83 2cub s GLU 11 CO 0.00 -3.28 0.19 0.50 0.02 0.00 0.00 175.26 172.69 2cub s ARG 12 N 6.03 2.57 -0.26 4.30 3.52 -1.26 -5.11 118.95 128.74 2cub s ARG 12 Ca 0.63 -1.38 -0.03 0.00 -0.13 0.00 0.00 55.73 54.83 2cub s ARG 12 Cb -0.01 -2.34 0.02 0.00 -1.56 0.00 0.00 34.95 31.06 2cub s ARG 12 CO 0.05 0.16 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.17 2cub s LEU 13 N -3.89 3.34 0.00 -0.88 2.01 -1.26 -5.08 118.68 112.91 2cub s LEU 13 Ca 0.38 -0.79 0.01 0.00 0.01 0.00 0.00 54.13 53.74 2cub s LEU 13 Cb -0.05 -1.73 -0.00 0.00 0.01 0.00 0.00 46.19 44.42 2cub s LEU 13 CO 0.24 -0.14 0.42 0.00 1.01 0.00 0.00 176.35 177.89 2cub n TYR 14 N 4.73 -1.24 -3.75 0.29 4.11 -1.26 -2.08 117.16 117.97 2cub n TYR 14 Ca -0.16 -2.46 -0.32 0.00 -0.00 0.00 0.00 57.90 54.96 2cub n TYR 14 Cb 0.48 0.47 -0.06 0.00 -0.00 0.00 0.00 39.34 40.22 2cub n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2cub n ASP 15 N -1.66 -1.36 -0.03 9.48 -0.08 0.42 -4.77 116.55 118.55 2cub n ASP 15 Ca 0.03 -0.91 -0.14 0.00 -1.51 0.00 0.00 54.79 52.26 2cub n ASP 15 Cb 0.58 -1.19 -0.10 0.00 2.34 0.00 0.00 41.12 42.75 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 -0.64 0.12 0.95 -2.67 4.07 -1.59 -3.48 115.31 112.07 2cub h LEU 16 Ca -0.44 -0.65 -0.24 0.00 0.08 0.00 0.00 57.88 56.62 2cub h LEU 16 Cb 1.04 -0.03 0.02 0.00 1.08 0.00 0.00 40.66 42.76 2cub h LEU 16 CO 0.66 0.75 -0.34 0.59 -1.08 0.00 0.00 178.44 179.01 2cub n ASN 17 N -4.67 -4.14 -4.63 -0.43 4.13 0.15 -4.98 115.26 100.69 2cub n ASN 17 Ca -0.09 -0.11 -0.41 0.00 1.68 0.00 0.00 54.58 55.66 2cub n ASN 17 Cb 0.38 -3.15 -0.06 0.00 -1.54 0.00 0.00 39.78 35.41 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2cub s MET 18 N -4.98 4.08 -0.12 3.52 -1.94 -0.54 -4.77 119.30 114.56 2cub s MET 18 Ca 0.11 0.62 -0.29 0.00 -1.71 0.00 0.00 55.69 54.42 2cub s MET 18 Cb -0.05 -3.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 2cub s MET 18 CO 0.13 -0.50 1.54 -1.25 -0.01 0.00 0.00 175.02 174.94 2cub s PRO 19 N 2.67 4.10 0.43 2.03 0.04 -1.26 -0.09 135.00 142.92 2cub s PRO 19 Ca 0.29 1.93 0.08 0.00 0.04 0.00 0.00 61.00 63.33 2cub s PRO 19 Cb -0.15 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.43 2cub s PRO 19 CO 0.09 -0.92 0.36 0.00 0.04 0.00 0.00 177.00 176.58 2cub s ALA 20 N 4.17 4.03 -0.20 8.56 0.00 0.12 -2.26 121.76 136.19 2cub s ALA 20 Ca 0.68 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2cub s ALA 20 Cb -0.28 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 21.96 2cub s ALA 20 CO 0.26 -0.24 -0.10 -0.47 0.00 0.00 0.00 175.76 175.21 2cub s TYR 21 N -2.51 2.38 -0.60 0.00 5.04 0.18 -1.28 117.35 120.57 2cub s TYR 21 Ca 0.47 -1.57 -0.26 0.00 -2.44 0.00 0.00 57.07 53.26 2cub s TYR 21 Cb -0.02 -1.62 -0.04 0.00 0.35 0.00 0.00 41.96 40.62 2cub s TYR 21 CO 0.27 -0.74 2.08 0.08 -1.34 0.00 0.00 175.55 175.90 2cub s VAL 22 N 1.41 3.23 0.19 3.14 1.01 -0.90 -0.56 120.40 127.90 2cub s VAL 22 Ca -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2cub s VAL 22 Cb -0.16 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 2cub s VAL 22 CO -0.08 -0.57 1.45 0.11 0.00 0.00 0.00 175.10 176.01 2cub h LYS 23 N 16.21 0.37 -5.56 2.72 1.57 0.91 -1.98 116.57 130.83 2cub h LYS 23 Ca -0.22 -0.30 -0.49 0.00 -1.87 0.00 0.00 60.65 57.78 2cub h LYS 23 Cb 1.18 0.06 -0.25 0.00 0.08 0.00 0.00 32.23 33.30 2cub h LYS 23 CO 1.19 0.94 -0.81 -0.06 -0.57 0.00 0.00 179.45 180.14 2cub s PHE 24 N -3.63 1.41 -0.09 -1.35 0.08 -0.63 -4.71 117.98 109.04 2cub s PHE 24 Ca -0.05 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.34 2cub s PHE 24 Cb 0.11 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 2cub s PHE 24 CO 0.83 0.06 1.21 0.54 -0.10 0.00 0.00 175.22 177.76 2cub s ASN 25 N -1.17 7.02 0.06 1.36 2.20 -1.26 -4.21 114.94 118.94 2cub s ASN 25 Ca 0.03 1.77 0.02 0.00 -0.94 0.00 0.00 52.86 53.74 2cub s ASN 25 Cb -0.08 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.58 2cub s ASN 25 CO 0.01 -0.64 0.10 -0.47 -2.94 0.00 0.00 177.10 173.17 2cub s TYR 26 N 2.63 3.27 -0.29 1.54 6.14 -0.29 -4.91 117.35 125.43 2cub s TYR 26 Ca 0.55 0.13 0.01 0.00 0.64 0.00 0.00 57.07 58.41 2cub s TYR 26 Cb -0.23 -1.67 0.06 0.00 0.42 0.00 0.00 41.96 40.54 2cub s TYR 26 CO 0.19 0.54 -0.03 -1.64 0.64 0.00 0.00 175.55 175.25 2cub s MET 27 N -2.27 2.22 0.44 4.97 -1.94 -1.26 -2.68 119.30 118.77 2cub s MET 27 Ca 0.29 -1.40 -0.16 0.00 -1.71 0.00 0.00 55.69 52.71 2cub s MET 27 Cb -0.12 -3.07 -0.08 0.00 2.01 0.00 0.00 34.83 33.56 2cub s MET 27 CO 0.21 -0.66 0.89 0.00 -0.01 0.00 0.00 175.02 175.46 2cub s ALA 28 N 1.14 3.17 0.00 3.03 0.00 -1.26 -4.99 121.76 122.85 2cub s ALA 28 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2cub s ALA 28 Cb -0.20 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2cub s ALA 28 CO -0.04 -0.02 0.00 0.39 0.00 0.00 0.00 175.76 176.09 2cub n GLU 29 N -1.15 2.96 -4.35 0.00 1.02 -1.26 -4.94 120.64 112.92 2cub n GLU 29 Ca 0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.90 2cub n GLU 29 Cb 0.54 -0.98 -0.12 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.95 1.56 0.26 3.49 1.81 -1.26 -5.03 118.95 117.84 2cub s ARG 30 Ca 0.00 -1.28 -0.02 0.00 -1.72 0.00 0.00 55.73 52.71 2cub s ARG 30 Cb 0.00 -1.99 0.57 0.00 -0.45 0.00 0.00 34.95 33.08 2cub s ARG 30 CO 0.00 0.46 1.66 1.05 -0.68 0.00 0.00 175.30 177.79 2cub h GLU 31 N 3.80 0.21 -0.96 3.54 4.11 -1.99 0.38 114.58 123.67 2cub h GLU 31 Ca -0.50 -0.01 0.18 0.00 0.07 0.00 0.00 59.36 59.10 2cub h GLU 31 Cb 1.17 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.29 2cub h GLU 31 CO 0.42 0.14 0.61 0.22 0.07 0.00 0.00 179.01 180.47 2cub h ASP 32 N 0.22 0.66 -3.84 3.06 3.58 -1.96 -3.41 116.42 114.73 2cub h ASP 32 Ca 0.48 0.07 -0.47 0.00 0.42 0.00 0.00 57.03 57.52 2cub h ASP 32 Cb 0.89 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 2cub h ASP 32 CO -0.60 0.27 0.19 -1.61 -2.88 0.00 0.00 179.24 174.60 2cub s GLU 33 N -5.70 4.11 0.03 0.28 0.41 0.13 0.10 118.70 118.07 2cub s GLU 33 Ca -0.10 0.86 0.06 0.00 -0.41 0.00 0.00 54.97 55.38 2cub s GLU 33 Cb 0.24 -2.38 -0.03 0.00 -1.78 0.00 0.00 34.13 30.18 2cub s GLU 33 CO 0.80 0.11 -0.15 -1.17 -0.49 0.00 0.00 175.26 174.35 2cub s LEU 34 N -2.97 2.76 -0.51 1.80 2.96 -0.59 -4.55 118.68 117.57 2cub s LEU 34 Ca 0.56 -0.36 -0.21 0.00 -0.22 0.00 0.00 54.13 53.90 2cub s LEU 34 Cb -0.10 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.03 2cub s LEU 34 CO 0.16 0.26 0.75 -0.94 -1.32 0.00 0.00 176.35 175.26 2cub s SER 35 N -1.47 6.29 0.45 3.68 1.04 -1.26 -4.28 113.70 118.16 2cub s SER 35 Ca 0.15 -0.57 -0.13 0.00 0.48 0.00 0.00 55.95 55.89 2cub s SER 35 Cb -0.11 -2.35 -0.07 0.00 0.10 0.00 0.00 66.02 63.59 2cub s SER 35 CO 0.06 -0.99 0.86 -0.76 0.98 0.00 0.00 173.24 173.39 2cub s LEU 36 N 3.17 3.73 -0.09 2.42 1.43 -1.09 -4.89 118.68 123.35 2cub s LEU 36 Ca 0.23 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 2cub s LEU 36 Cb -0.16 -4.22 0.02 0.00 0.03 0.00 0.00 46.19 41.86 2cub s LEU 36 CO 0.16 -0.49 -0.11 -0.63 0.23 0.00 0.00 176.35 175.51 2cub s ILE 37 N -2.50 1.16 -0.21 -0.59 1.01 -1.26 -1.14 121.20 117.67 2cub s ILE 37 Ca 0.54 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.47 2cub s ILE 37 Cb -0.10 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 2cub s ILE 37 CO 0.32 0.37 2.05 -0.75 0.00 0.00 0.00 174.94 176.94 2cub s LYS 38 N 1.08 3.34 0.00 2.79 2.20 -1.26 -2.32 119.74 125.57 2cub s LYS 38 Ca -0.06 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 2cub s LYS 38 Cb -0.15 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.89 2cub s LYS 38 CO -0.01 -1.86 0.00 0.41 -0.36 0.00 0.00 175.35 173.52 2cub n GLY 39 N 5.47 1.64 2.82 5.54 0.00 -0.74 -4.93 105.19 114.99 2cub n GLY 39 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.52 0.00 -4.40 2.61 -2.24 -0.98 -5.02 114.28 103.73 2cub n THR 40 Ca 0.00 -1.94 -0.22 0.00 -2.27 0.00 0.00 64.05 59.63 2cub n THR 40 Cb 0.00 0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 68.64 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 -3.36 1.16 0.44 -0.78 2.20 -1.26 -2.12 119.74 116.02 2cub s LYS 41 Ca 0.10 -0.29 0.06 0.00 -0.36 0.00 0.00 55.97 55.47 2cub s LYS 41 Cb 0.00 -1.04 -0.05 0.00 -1.51 0.00 0.00 37.83 35.24 2cub s LYS 41 CO 0.07 0.04 0.10 0.14 -0.36 0.00 0.00 175.35 175.34 2cub s VAL 42 N 0.50 1.90 -0.28 4.02 -7.23 -0.40 -4.84 120.40 114.08 2cub s VAL 42 Ca -0.09 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 2cub s VAL 42 Cb -0.12 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.13 2cub s VAL 42 CO 0.01 0.00 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.10 2cub s ILE 43 N -2.71 2.19 -0.16 -0.62 -1.09 -0.89 0.15 121.20 118.07 2cub s ILE 43 Ca 0.31 -1.79 -0.29 0.00 -2.23 0.00 0.00 60.65 56.64 2cub s ILE 43 Cb 0.05 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.55 2cub s ILE 43 CO 0.17 -0.16 1.34 -0.69 -1.23 0.00 0.00 174.94 174.37 2cub s VAL 44 N 1.06 4.14 -0.15 2.92 1.01 0.87 0.13 120.40 130.37 2cub s VAL 44 Ca -0.05 1.37 0.09 0.00 0.00 0.00 0.00 61.98 63.40 2cub s VAL 44 Cb -0.20 -3.92 -0.16 0.00 0.00 0.00 0.00 36.38 32.10 2cub s VAL 44 CO -0.06 -0.16 -0.01 0.23 0.00 0.00 0.00 175.10 175.10 2cub n MET 45 N 6.79 1.31 -4.07 2.72 2.81 0.42 0.33 117.12 127.43 2cub n MET 45 Ca 0.15 0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.97 2cub n MET 45 Cb 0.45 -1.37 -0.10 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.35 0.57 -0.03 0.03 2.12 -0.08 0.16 118.70 119.11 2cub s GLU 46 Ca -0.12 -1.03 -0.01 0.00 0.36 0.00 0.00 54.97 54.17 2cub s GLU 46 Cb 0.05 0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.51 2cub s GLU 46 CO 0.54 -0.06 0.04 0.15 -0.54 0.00 0.00 175.26 175.39 2cub s LYS 47 N -2.97 0.02 -0.29 4.30 1.02 -0.88 -0.76 119.74 120.18 2cub s LYS 47 Ca -0.00 0.24 -0.17 0.00 0.02 0.00 0.00 55.97 56.06 2cub s LYS 47 Cb 0.01 -0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 36.88 2cub s LYS 47 CO -0.05 -0.23 0.49 0.00 -0.92 0.00 0.00 175.35 174.63 2cub n SER 49 N 5.56 -0.22 -0.35 0.00 2.88 -1.26 0.53 113.62 120.75 2cub n SER 49 Ca -0.05 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 2cub n SER 49 Cb 0.50 -0.46 0.06 0.00 -0.75 0.00 0.00 64.21 63.55 2cub n SER 49 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2cub h ASP 50 N 0.00 -1.25 0.00 -3.46 5.19 -2.07 -3.45 116.42 111.39 2cub h ASP 50 Ca 0.44 0.29 0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2cub h ASP 50 Cb 0.77 0.69 0.00 0.00 0.18 0.00 0.00 39.33 40.97 2cub h ASP 50 CO -0.82 -0.30 0.00 0.61 -3.12 0.00 0.00 179.24 175.61 2cub n GLY 51 N -1.50 0.72 3.77 2.75 0.00 0.19 -5.14 105.19 105.98 2cub n GLY 51 Ca 0.11 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 3.13 0.37 1.61 0.52 -1.24 -3.75 118.94 119.59 2cub s TRP 52 Ca 0.00 1.45 0.08 0.00 0.02 0.00 0.00 56.10 57.65 2cub s TRP 52 Cb 0.00 -3.62 -0.05 0.00 -1.15 0.00 0.00 33.47 28.65 2cub s TRP 52 CO 0.00 -1.66 0.11 -1.58 0.02 0.00 0.00 176.95 173.84 2cub s TRP 53 N -1.11 2.61 -0.20 -1.98 0.52 0.62 -0.61 118.94 118.78 2cub s TRP 53 Ca 0.48 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 56.08 2cub s TRP 53 Cb -0.38 -1.72 0.07 0.00 -1.15 0.00 0.00 33.47 30.28 2cub s TRP 53 CO 0.51 0.33 0.07 0.50 0.02 0.00 0.00 176.95 178.38 2cub s ARG 54 N -3.82 0.37 0.08 4.98 3.52 0.06 -0.13 118.95 124.01 2cub s ARG 54 Ca 0.38 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2cub s ARG 54 Cb 0.01 -1.90 -0.00 0.00 -1.56 0.00 0.00 34.95 31.50 2cub s ARG 54 CO 0.21 -0.71 0.04 0.41 -0.81 0.00 0.00 175.30 174.44 2cub n GLY 55 N 5.15 3.90 3.71 8.12 0.00 -1.03 -0.43 105.19 124.60 2cub n GLY 55 Ca -0.07 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 2cub n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cub s SER 56 N -1.48 4.66 -0.29 1.61 1.04 0.12 -2.32 113.70 117.03 2cub s SER 56 Ca 0.05 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.78 2cub s SER 56 Cb 0.00 -0.79 0.19 0.00 0.10 0.00 0.00 66.02 65.53 2cub s SER 56 CO 0.04 -0.20 0.59 -0.47 0.98 0.00 0.00 173.24 174.18 2cub s TYR 57 N -2.39 -1.72 -1.33 5.02 5.04 0.77 -2.08 117.35 120.66 2cub s TYR 57 Ca 0.35 1.40 -0.08 0.00 -2.44 0.00 0.00 57.07 56.30 2cub s TYR 57 Cb -0.04 0.44 0.01 0.00 0.35 0.00 0.00 41.96 42.72 2cub s TYR 57 CO 0.22 -0.98 1.15 -1.71 -1.34 0.00 0.00 175.55 172.89 2cub n ASN 58 N 5.42 -5.87 0.00 4.32 5.15 -1.26 -1.42 115.26 121.61 2cub n ASN 58 Ca 0.02 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 2cub n ASN 58 Cb 0.52 -5.00 0.00 0.00 -0.53 0.00 0.00 39.78 34.78 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 -1.90 2.32 3.92 8.20 0.00 -1.26 -5.03 105.19 111.44 2cub n GLY 59 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.40 3.02 -0.10 1.61 -0.21 -0.51 -5.09 119.66 117.98 2cub s GLN 60 Ca 0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.26 2cub s GLN 60 Cb 0.00 -2.32 0.03 0.00 1.00 0.00 0.00 33.01 31.72 2cub s GLN 60 CO 0.00 -0.59 0.26 0.08 -2.12 0.00 0.00 175.29 172.92 2cub s VAL 61 N -2.91 -0.01 0.00 1.09 1.01 -1.26 -0.17 120.40 118.16 2cub s VAL 61 Ca 0.52 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2cub s VAL 61 Cb -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2cub s VAL 61 CO 0.44 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2cub n GLY 62 N 3.20 0.99 3.72 4.51 0.00 -0.98 -4.80 105.19 111.83 2cub n GLY 62 Ca -0.15 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.84 3.28 0.01 1.61 0.52 0.28 -2.48 118.94 118.32 2cub s TRP 63 Ca 0.00 0.26 -0.14 0.00 0.02 0.00 0.00 56.10 56.24 2cub s TRP 63 Cb 0.00 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2cub s TRP 63 CO 0.00 0.50 0.28 -0.59 0.02 0.00 0.00 176.95 177.16 2cub s PHE 64 N -0.78 -0.13 -0.23 -1.98 -0.12 0.82 -1.55 117.98 114.01 2cub s PHE 64 Ca 0.12 0.12 -0.29 0.00 -0.05 0.00 0.00 56.93 56.83 2cub s PHE 64 Cb -0.12 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 2cub s PHE 64 CO 0.03 -0.41 1.62 -1.25 -0.05 0.00 0.00 175.22 175.15 2cub s PRO 65 N -1.72 3.76 0.37 1.99 0.04 -1.26 -0.28 135.00 137.90 2cub s PRO 65 Ca -0.11 1.63 0.20 0.00 0.04 0.00 0.00 61.00 62.76 2cub s PRO 65 Cb -0.04 -4.04 1.11 0.00 0.04 0.00 0.00 34.50 31.56 2cub s PRO 65 CO 0.02 -1.33 1.58 0.66 0.04 0.00 0.00 177.00 177.97 2cub h SER 66 N 10.85 0.00 0.87 6.66 4.64 -1.89 0.17 113.55 134.85 2cub h SER 66 Ca -0.33 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 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 1.01 0.00 -0.25 0.78 -0.87 0.00 0.00 176.83 177.50 2cub h ASN 67 N 0.00 0.00 1.11 4.97 2.35 -1.89 -2.86 115.58 119.26 2cub h ASN 67 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2cub h ASN 67 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2cub h ASN 67 CO 0.00 0.25 -0.94 1.88 -1.65 0.00 0.00 177.43 176.96 2cub h TYR 68 N 0.00 0.00 -1.72 1.19 -1.99 -1.00 -3.47 116.97 109.97 2cub h TYR 68 Ca -0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 2cub h TYR 68 Cb 0.75 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.42 2cub h TYR 68 CO 0.00 0.52 -0.48 0.14 -0.00 0.00 0.00 178.16 178.34 2cub s VAL 69 N -2.96 2.85 -0.03 -2.88 -7.23 -1.08 0.14 120.40 109.21 2cub s VAL 69 Ca 0.01 -1.56 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2cub s VAL 69 Cb 0.08 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 34.02 2cub s VAL 69 CO 0.78 -0.10 0.08 0.28 -0.31 0.00 0.00 175.10 175.83 2cub s THR 70 N -2.46 -0.02 -0.73 5.32 -1.32 0.27 -4.82 115.64 111.89 2cub s THR 70 Ca 0.41 0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 60.72 2cub s THR 70 Cb -0.02 -0.13 -0.14 0.00 -1.51 0.00 0.00 72.50 70.70 2cub s THR 70 CO 0.24 0.03 2.41 -0.62 -2.21 0.00 0.00 174.62 174.47 2cub n GLU 71 N 3.46 0.63 -3.59 7.08 1.02 -1.26 0.52 120.64 128.49 2cub n GLU 71 Ca -0.18 -0.51 -0.40 0.00 -0.02 0.00 0.00 57.16 56.05 2cub n GLU 71 Cb 0.56 -3.33 -0.09 0.00 -0.02 0.00 0.00 31.44 28.56 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 8.60 2.47 0.00 3.49 2.12 -0.96 -4.92 118.70 129.51 2cub s GLU 72 Ca 0.99 -1.67 0.00 0.00 0.36 0.00 0.00 54.97 54.65 2cub s GLU 72 Cb -0.24 -3.85 0.00 0.00 0.26 0.00 0.00 34.13 30.30 2cub s GLU 72 CO 0.19 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.21 2cub n GLY 73 N 4.88 -0.99 3.77 -1.50 0.00 -1.26 -4.46 105.19 105.64 2cub n GLY 73 Ca -0.08 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.00 6.24 0.27 1.61 1.01 -1.26 -5.01 116.67 115.54 2cub s ASP 74 Ca 0.00 2.31 -0.25 0.00 0.71 0.00 0.00 52.55 55.31 2cub s ASP 74 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 2cub s ASP 74 CO 0.00 -0.87 0.88 -0.94 0.21 0.00 0.00 175.17 174.46 2cub s SER 75 N -1.32 7.35 -0.04 0.27 1.04 -1.26 -5.01 113.70 114.73 2cub s SER 75 Ca 0.62 1.76 -0.30 0.00 0.48 0.00 0.00 55.95 58.51 2cub s SER 75 Cb -0.29 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.24 2cub s SER 75 CO 0.35 0.02 1.48 -2.16 0.98 0.00 0.00 173.24 173.92 2cub s PRO 76 N -1.78 4.24 -0.05 4.02 0.04 -1.26 -4.99 135.00 135.21 2cub s PRO 76 Ca 0.46 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 2cub s PRO 76 Cb -0.20 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.58 2cub s PRO 76 CO 0.25 -0.70 0.95 -0.51 0.04 0.00 0.00 177.00 177.03 2cub s LEU 77 N 3.10 4.31 0.00 -3.56 2.01 -1.26 -4.94 118.68 118.34 2cub s LEU 77 Ca 0.66 1.53 0.00 0.00 0.01 0.00 0.00 54.13 56.34 2cub s LEU 77 Cb -0.31 -3.49 0.00 0.00 0.01 0.00 0.00 46.19 42.40 2cub s LEU 77 CO 0.26 -0.31 0.00 0.61 1.01 0.00 0.00 176.35 177.92 2cub n GLY 78 N 3.02 4.32 2.51 -3.19 0.00 -1.26 -4.95 105.19 105.64 2cub n GLY 78 Ca 0.06 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 6.83 -4.40 1.61 9.92 -1.26 -4.84 116.55 124.40 2cub n ASP 79 Ca 0.00 -3.22 -0.45 0.00 -0.53 0.00 0.00 54.79 50.59 2cub n ASP 79 Cb 0.00 -1.25 -0.01 0.00 -0.64 0.00 0.00 41.12 39.22 2cub n ASP 79 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2cub s HIS 80 N -1.73 3.77 0.08 1.24 3.76 -1.26 -5.00 115.29 116.14 2cub s HIS 80 Ca 0.57 -2.23 0.09 0.00 -0.15 0.00 0.00 55.06 53.34 2cub s HIS 80 Cb 0.34 -4.08 -0.03 0.00 1.11 0.00 0.00 32.58 29.92 2cub s HIS 80 CO -0.20 -1.20 -0.24 0.54 -0.85 0.00 0.00 174.74 172.79 2cub s VAL 81 N 0.52 1.93 0.21 -0.90 0.11 -1.26 -5.07 120.40 115.95 2cub s VAL 81 Ca 0.34 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 2cub s VAL 81 Cb -0.06 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 2cub s VAL 81 CO -0.05 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2cub n GLY 82 N 1.45 -2.01 0.12 6.54 0.00 -1.26 -4.69 105.19 105.34 2cub n GLY 82 Ca -0.18 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 2cub n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cub n SER 83 N -3.10 1.97 0.00 1.61 2.88 -1.26 -5.07 113.62 110.64 2cub n SER 83 Ca 0.01 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2cub n SER 83 Cb 0.42 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2cub n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cub n GLY 84 N 1.64 -0.41 3.55 0.46 0.00 -1.26 -5.08 105.19 104.09 2cub n GLY 84 Ca -0.35 0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 1.26 2.61 0.05 1.61 0.04 -1.26 -4.94 135.00 134.37 2cub s PRO 85 Ca 0.00 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.52 2cub s PRO 85 Cb 0.00 -4.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 2cub s PRO 85 CO 0.00 -2.82 -0.01 0.45 0.04 0.00 0.00 177.00 174.66 2cub s SER 86 N 8.12 0.45 0.88 6.66 0.15 -1.26 -5.14 113.70 123.56 2cub s SER 86 Ca 0.68 -0.97 -0.15 0.00 0.70 0.00 0.00 55.95 56.21 2cub s SER 86 Cb -0.12 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 2cub s SER 86 CO 0.18 -0.61 0.04 -1.20 1.20 0.00 0.00 173.24 172.85 2cub n SER 87 N 0.09 -3.14 0.00 5.45 7.64 -1.26 -5.18 113.62 117.23 2cub n SER 87 Ca -0.14 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2cub n SER 87 Cb 0.61 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64