#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub h SER 2 N 0.00 -1.36 -1.62 1.61 0.87 -2.05 -3.43 113.55 107.57 2cub h SER 2 Ca 0.00 0.17 -0.47 0.00 -1.23 0.00 0.00 61.79 60.26 2cub h SER 2 Cb 0.00 0.54 0.06 0.00 -0.44 0.00 0.00 62.40 62.56 2cub h SER 2 CO 0.00 -0.33 0.02 -0.94 -0.53 0.00 0.00 176.83 175.04 2cub s SER 3 N -4.38 4.68 0.05 6.23 1.04 -1.26 -4.96 113.70 115.10 2cub s SER 3 Ca -0.11 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2cub s SER 3 Cb 0.06 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2cub s SER 3 CO 0.46 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2cub n GLY 4 N -2.57 -4.54 3.66 7.32 0.00 -1.26 -4.85 105.19 102.94 2cub n GLY 4 Ca 0.15 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.32 6.54 0.25 1.61 0.01 -1.26 -4.72 113.70 115.82 2cub s SER 5 Ca 0.00 2.39 -0.16 0.00 1.31 0.00 0.00 55.95 59.49 2cub s SER 5 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2cub s SER 5 CO 0.00 -1.01 0.56 -0.44 0.41 0.00 0.00 173.24 172.76 2cub s SER 6 N 3.93 -0.16 0.00 2.44 0.01 -1.26 -5.03 113.70 113.62 2cub s SER 6 Ca 0.80 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2cub s SER 6 Cb -0.37 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2cub s SER 6 CO 0.35 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.40 2cub n GLY 7 N -0.40 0.59 3.45 3.44 0.00 -1.26 -5.07 105.19 105.93 2cub n GLY 7 Ca -0.03 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.31 0.10 1.61 8.00 -1.26 -4.84 116.55 118.85 2cub n ASP 8 Ca 0.00 0.66 0.10 0.00 0.71 0.00 0.00 54.79 56.27 2cub n ASP 8 Cb 0.00 -1.17 0.44 0.00 -0.02 0.00 0.00 41.12 40.37 2cub n ASP 8 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2cub n PRO 9 N -0.22 0.14 0.00 -0.24 -0.04 -1.26 -4.97 135.00 128.41 2cub n PRO 9 Ca 0.11 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2cub n PRO 9 Cb 0.49 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.14 3.23 0.55 0.00 -1.26 -5.07 105.19 102.75 2cub n GLY 10 Ca 0.02 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.83 -0.24 1.61 2.02 -1.26 -5.08 118.70 118.57 2cub s GLU 11 Ca 0.00 -1.00 -0.03 0.00 0.02 0.00 0.00 54.97 53.96 2cub s GLU 11 Cb 0.00 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 31.14 2cub s GLU 11 CO 0.00 -0.44 -0.04 0.50 0.02 0.00 0.00 175.26 175.29 2cub s ARG 12 N 1.35 3.09 -0.06 1.61 6.06 -1.26 -4.79 118.95 124.95 2cub s ARG 12 Ca -0.00 -0.82 -0.01 0.00 -2.50 0.00 0.00 55.73 52.40 2cub s ARG 12 Cb -0.17 -3.02 0.03 0.00 0.06 0.00 0.00 34.95 31.84 2cub s ARG 12 CO -0.02 -0.32 0.00 -0.51 -2.50 0.00 0.00 175.30 171.95 2cub s LEU 13 N 1.41 0.67 0.00 -0.88 1.43 -1.26 -5.10 118.68 114.94 2cub s LEU 13 Ca 0.03 -0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2cub s LEU 13 Cb -0.16 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 2cub s LEU 13 CO -0.04 -0.18 0.22 0.00 0.23 0.00 0.00 176.35 176.59 2cub n TYR 14 N 4.99 -0.45 -3.00 0.29 4.11 -1.26 -1.94 117.16 119.89 2cub n TYR 14 Ca -0.10 -2.61 -0.12 0.00 -0.00 0.00 0.00 57.90 55.07 2cub n TYR 14 Cb 0.50 0.18 -0.02 0.00 -0.00 0.00 0.00 39.34 40.00 2cub n TYR 14 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 2cub n ASP 15 N -1.68 -1.53 0.01 9.48 5.68 0.56 -4.78 116.55 124.28 2cub n ASP 15 Ca 0.03 0.04 -0.12 0.00 -0.50 0.00 0.00 54.79 54.23 2cub n ASP 15 Cb 0.58 -1.40 -0.08 0.00 -1.14 0.00 0.00 41.12 39.07 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2cub h LEU 16 N -0.25 0.03 0.48 -2.12 4.07 -1.60 -3.47 115.31 112.43 2cub h LEU 16 Ca -0.18 -0.23 -0.27 0.00 0.08 0.00 0.00 57.88 57.28 2cub h LEU 16 Cb 1.12 -0.01 0.04 0.00 1.08 0.00 0.00 40.66 42.89 2cub h LEU 16 CO 0.25 0.25 -0.41 -3.20 -1.08 0.00 0.00 178.44 174.25 2cub n ASN 17 N -4.96 -4.61 -4.63 -0.43 2.85 0.37 -4.97 115.26 98.87 2cub n ASN 17 Ca -0.07 -0.19 -0.40 0.00 -0.11 0.00 0.00 54.58 53.80 2cub n ASN 17 Cb 0.14 -3.48 -0.06 0.00 1.24 0.00 0.00 39.78 37.61 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 -5.31 4.13 0.21 1.20 -1.94 -0.31 -4.75 119.30 112.53 2cub s MET 18 Ca 0.20 0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 54.44 2cub s MET 18 Cb -0.09 -3.63 -0.09 0.00 2.01 0.00 0.00 34.83 33.03 2cub s MET 18 CO 0.25 -0.37 1.30 -1.25 -0.01 0.00 0.00 175.02 174.94 2cub s PRO 19 N 2.36 4.40 0.38 2.03 0.04 -1.26 -0.04 135.00 142.91 2cub s PRO 19 Ca 0.26 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.39 2cub s PRO 19 Cb -0.16 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2cub s PRO 19 CO 0.09 -0.22 0.07 0.00 0.04 0.00 0.00 177.00 176.97 2cub s ALA 20 N -0.03 2.85 -0.16 8.56 0.00 0.72 -2.68 121.76 131.02 2cub s ALA 20 Ca 0.55 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2cub s ALA 20 Cb -0.36 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.36 2cub s ALA 20 CO 0.39 -0.26 -0.03 -0.47 0.00 0.00 0.00 175.76 175.39 2cub s TYR 21 N -3.16 1.45 -0.53 0.00 5.04 0.60 -1.75 117.35 119.00 2cub s TYR 21 Ca 0.28 -0.93 -0.26 0.00 -2.44 0.00 0.00 57.07 53.72 2cub s TYR 21 Cb 0.06 -1.20 -0.05 0.00 0.35 0.00 0.00 41.96 41.12 2cub s TYR 21 CO 0.14 -0.58 2.16 0.08 -1.34 0.00 0.00 175.55 176.01 2cub s VAL 22 N 1.72 3.17 -0.07 3.14 1.01 -0.08 -0.69 120.40 128.58 2cub s VAL 22 Ca 0.01 0.10 0.13 0.00 0.00 0.00 0.00 61.98 62.21 2cub s VAL 22 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2cub s VAL 22 CO -0.07 -0.41 1.37 0.11 0.00 0.00 0.00 175.10 176.10 2cub h LYS 23 N 17.38 0.00 -3.74 2.72 1.57 0.41 -1.22 116.57 133.69 2cub h LYS 23 Ca -0.25 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.16 2cub h LYS 23 Cb 1.22 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.18 2cub h LYS 23 CO 1.18 0.65 -0.75 -0.06 -0.57 0.00 0.00 179.45 179.89 2cub s PHE 24 N -2.88 0.39 0.32 -1.35 0.08 -0.73 -4.76 117.98 109.04 2cub s PHE 24 Ca 0.03 -0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.76 2cub s PHE 24 Cb 0.08 -0.48 -0.12 0.00 -0.57 0.00 0.00 43.02 41.94 2cub s PHE 24 CO 0.77 -0.16 1.48 0.09 -0.10 0.00 0.00 175.22 177.31 2cub n ASN 25 N 4.26 3.47 -4.10 1.36 3.02 -1.26 -4.49 115.26 117.52 2cub n ASN 25 Ca -0.24 1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 55.20 2cub n ASN 25 Cb 0.50 -1.56 -0.17 0.00 -0.61 0.00 0.00 39.78 37.95 2cub n ASN 25 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2cub s TYR 26 N -0.52 2.16 -0.41 3.10 6.14 0.11 -4.88 117.35 123.05 2cub s TYR 26 Ca 0.60 -1.00 -0.15 0.00 0.64 0.00 0.00 57.07 57.16 2cub s TYR 26 Cb -0.53 -1.52 0.02 0.00 0.42 0.00 0.00 41.96 40.36 2cub s TYR 26 CO 0.55 -0.48 0.31 0.00 0.64 0.00 0.00 175.55 176.58 2cub s MET 27 N 0.82 2.99 0.50 4.97 0.23 -1.26 -0.54 119.30 127.01 2cub s MET 27 Ca -0.09 -0.99 -0.18 0.00 -1.03 0.00 0.00 55.69 53.40 2cub s MET 27 Cb -0.16 -3.97 -0.08 0.00 -1.53 0.00 0.00 34.83 29.09 2cub s MET 27 CO 0.00 -0.75 0.98 0.00 -2.03 0.00 0.00 175.02 173.23 2cub s ALA 28 N 1.73 3.02 0.00 3.16 0.00 -1.26 -4.98 121.76 123.43 2cub s ALA 28 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2cub s ALA 28 Cb -0.19 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2cub s ALA 28 CO 0.10 -0.19 0.00 0.39 0.00 0.00 0.00 175.76 176.07 2cub n GLU 29 N -1.33 1.41 -4.20 0.00 1.02 -1.26 -4.94 120.64 111.34 2cub n GLU 29 Ca 0.07 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.92 2cub n GLU 29 Cb 0.54 -0.90 -0.09 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 2.26 0.61 3.49 0.52 -1.26 -5.00 118.95 117.96 2cub s ARG 30 Ca 0.00 -1.02 0.36 0.00 -0.52 0.00 0.00 55.73 54.55 2cub s ARG 30 Cb 0.00 -2.36 2.02 0.00 0.52 0.00 0.00 34.95 35.13 2cub s ARG 30 CO 0.00 0.50 2.27 1.05 0.02 0.00 0.00 175.30 179.14 2cub h GLU 31 N 3.36 0.00 0.00 3.54 4.11 -2.00 0.06 114.58 123.64 2cub h GLU 31 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 2cub h GLU 31 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2cub h GLU 31 CO 0.55 0.02 -0.24 -0.44 0.07 0.00 0.00 179.01 178.97 2cub h ASP 32 N 0.00 0.00 -3.20 3.06 3.32 -1.94 -3.46 116.42 114.20 2cub h ASP 32 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2cub h ASP 32 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2cub h ASP 32 CO 0.00 0.10 -0.26 -1.61 -1.72 0.00 0.00 179.24 175.76 2cub s GLU 33 N -3.18 3.69 -0.03 3.56 8.01 0.01 -0.16 118.70 130.60 2cub s GLU 33 Ca 0.05 0.05 0.02 0.00 0.01 0.00 0.00 54.97 55.10 2cub s GLU 33 Cb 0.06 -2.85 -0.03 0.00 -4.31 0.00 0.00 34.13 27.00 2cub s GLU 33 CO 0.70 0.46 -0.05 -1.17 0.01 0.00 0.00 175.26 175.21 2cub s LEU 34 N -2.48 3.25 -0.40 1.80 2.96 -1.05 -4.63 118.68 118.12 2cub s LEU 34 Ca 0.40 -0.07 -0.21 0.00 -0.22 0.00 0.00 54.13 54.04 2cub s LEU 34 Cb -0.12 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.77 2cub s LEU 34 CO 0.22 0.31 0.66 -0.94 -1.32 0.00 0.00 176.35 175.28 2cub s SER 35 N -1.21 6.38 0.36 3.68 1.04 -1.26 -4.36 113.70 118.33 2cub s SER 35 Ca 0.16 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.40 2cub s SER 35 Cb -0.11 -2.33 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 2cub s SER 35 CO 0.06 -0.72 0.68 -0.76 0.98 0.00 0.00 173.24 173.48 2cub s LEU 36 N 2.84 3.92 -0.09 2.42 1.43 0.30 -4.87 118.68 124.62 2cub s LEU 36 Ca 0.24 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2cub s LEU 36 Cb -0.14 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.28 2cub s LEU 36 CO 0.18 -0.32 -0.15 -0.63 0.23 0.00 0.00 176.35 175.66 2cub s ILE 37 N -2.26 1.41 -0.08 -0.59 1.01 -1.26 0.06 121.20 119.48 2cub s ILE 37 Ca 0.48 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 2cub s ILE 37 Cb -0.10 -1.28 -0.07 0.00 0.01 0.00 0.00 42.46 41.02 2cub s ILE 37 CO 0.31 0.42 2.04 -0.75 0.00 0.00 0.00 174.94 176.96 2cub s LYS 38 N 0.83 3.71 0.00 2.79 2.20 -1.26 -2.33 119.74 125.68 2cub s LYS 38 Ca -0.10 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 2cub s LYS 38 Cb -0.15 -4.24 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 2cub s LYS 38 CO 0.01 -1.44 0.00 0.41 -0.36 0.00 0.00 175.35 173.97 2cub n GLY 39 N 5.03 1.48 3.46 5.54 0.00 -0.46 -4.90 105.19 115.33 2cub n GLY 39 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 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 0.85 0.10 2.61 -4.23 -0.98 -5.00 115.64 106.98 2cub s THR 40 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2cub s THR 40 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 2cub s THR 40 CO 0.00 0.00 -0.27 -0.75 -0.54 0.00 0.00 174.62 173.06 2cub s LYS 41 N -3.84 1.54 0.23 3.99 2.20 -1.26 -0.90 119.74 121.69 2cub s LYS 41 Ca 0.32 -1.25 0.02 0.00 -0.36 0.00 0.00 55.97 54.69 2cub s LYS 41 Cb 0.06 -1.91 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 2cub s LYS 41 CO 0.15 0.47 0.05 0.14 -0.36 0.00 0.00 175.35 175.80 2cub s VAL 42 N -0.97 0.65 -0.26 4.02 -7.23 -0.72 -4.90 120.40 110.99 2cub s VAL 42 Ca 0.13 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 2cub s VAL 42 Cb -0.10 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.48 2cub s VAL 42 CO 0.04 -0.20 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.90 2cub s ILE 43 N -3.69 2.16 0.12 -0.62 -1.09 -0.96 -0.20 121.20 116.92 2cub s ILE 43 Ca 0.32 -1.66 -0.30 0.00 -2.23 0.00 0.00 60.65 56.78 2cub s ILE 43 Cb 0.07 -2.29 -0.07 0.00 -1.58 0.00 0.00 42.46 38.59 2cub s ILE 43 CO 0.10 -0.05 1.22 -0.69 -1.23 0.00 0.00 174.94 174.28 2cub s VAL 44 N 1.10 3.76 -0.01 2.92 1.01 0.94 -0.23 120.40 129.89 2cub s VAL 44 Ca -0.08 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.25 2cub s VAL 44 Cb -0.20 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2cub s VAL 44 CO -0.05 0.15 0.00 0.23 0.00 0.00 0.00 175.10 175.43 2cub n MET 45 N 3.34 3.78 -3.93 2.72 2.81 0.19 0.14 117.12 126.18 2cub n MET 45 Ca 0.07 -0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.86 2cub n MET 45 Cb 0.45 -1.02 -0.12 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.02 0.26 0.08 0.03 2.12 0.27 0.21 118.70 119.65 2cub s GLU 46 Ca -0.00 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.02 2cub s GLU 46 Cb 0.00 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 2cub s GLU 46 CO 0.03 -0.05 -0.20 0.15 -0.54 0.00 0.00 175.26 174.65 2cub s LYS 47 N -1.01 1.16 0.34 4.30 1.02 -0.82 0.02 119.74 124.75 2cub s LYS 47 Ca -0.11 -1.07 0.09 0.00 0.02 0.00 0.00 55.97 54.90 2cub s LYS 47 Cb -0.07 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 2cub s LYS 47 CO -0.00 0.32 0.01 0.00 -0.92 0.00 0.00 175.35 174.76 2cub h SER 49 N 1.82 0.00 -0.87 0.00 0.87 -1.87 -3.35 113.55 110.14 2cub h SER 49 Ca -0.43 -0.10 0.33 0.00 -1.23 0.00 0.00 61.79 60.37 2cub h SER 49 Cb 1.25 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.09 2cub h SER 49 CO 0.67 0.66 0.52 -0.67 -0.53 0.00 0.00 176.83 177.48 2cub n ASP 50 N -4.70 0.22 0.00 6.23 2.03 -1.26 -4.58 116.55 114.48 2cub n ASP 50 Ca -0.04 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2cub n ASP 50 Cb 0.15 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2cub n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cub n GLY 51 N -1.28 0.77 3.39 0.27 0.00 -1.26 -5.15 105.19 101.93 2cub n GLY 51 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.77 2.45 0.31 1.61 0.52 -1.26 -4.19 118.94 117.62 2cub s TRP 52 Ca 0.00 -0.33 0.09 0.00 0.02 0.00 0.00 56.10 55.88 2cub s TRP 52 Cb 0.00 -1.49 -0.05 0.00 -1.15 0.00 0.00 33.47 30.79 2cub s TRP 52 CO 0.00 0.12 -0.01 -1.58 0.02 0.00 0.00 176.95 175.50 2cub s TRP 53 N -0.77 2.57 -0.19 -1.98 0.52 -0.00 -0.16 118.94 118.93 2cub s TRP 53 Ca 0.12 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 2cub s TRP 53 Cb -0.10 -1.36 0.06 0.00 -1.15 0.00 0.00 33.47 30.92 2cub s TRP 53 CO 0.02 0.53 0.07 0.50 0.02 0.00 0.00 176.95 178.09 2cub s ARG 54 N -3.69 0.34 0.00 4.98 3.52 0.10 -0.13 118.95 124.08 2cub s ARG 54 Ca 0.34 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 2cub s ARG 54 Cb -0.03 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 2cub s ARG 54 CO 0.19 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 2cub n GLY 55 N 5.16 6.50 3.24 8.12 0.00 -1.14 -0.56 105.19 126.52 2cub n GLY 55 Ca -0.08 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 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 0.98 2.16 -0.26 1.61 0.15 0.68 -2.92 113.70 116.10 2cub s SER 56 Ca 0.00 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 55.92 2cub s SER 56 Cb 0.00 -0.10 0.14 0.00 -1.71 0.00 0.00 66.02 64.35 2cub s SER 56 CO 0.00 -0.04 0.39 -0.47 1.20 0.00 0.00 173.24 174.32 2cub s TYR 57 N -1.52 -0.87 -1.15 3.44 6.14 0.68 -2.28 117.35 121.80 2cub s TYR 57 Ca 0.05 0.70 -0.07 0.00 0.64 0.00 0.00 57.07 58.39 2cub s TYR 57 Cb -0.08 -0.03 0.01 0.00 0.42 0.00 0.00 41.96 42.28 2cub s TYR 57 CO 0.04 -0.79 1.00 0.09 0.64 0.00 0.00 175.55 176.52 2cub n ASN 58 N 5.36 -5.29 0.00 4.32 4.13 -1.26 -1.79 115.26 120.73 2cub n ASN 58 Ca -0.03 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 55.76 2cub n ASN 58 Cb 0.50 -4.40 0.00 0.00 -1.54 0.00 0.00 39.78 34.34 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cub n GLY 59 N -1.71 2.79 3.90 7.41 0.00 -1.26 -5.01 105.19 111.30 2cub n GLY 59 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.23 3.53 -0.03 1.61 -0.21 -0.74 -5.09 119.66 118.50 2cub s GLN 60 Ca 0.00 0.35 -0.04 0.00 0.02 0.00 0.00 55.36 55.68 2cub s GLN 60 Cb 0.00 -2.29 0.01 0.00 1.00 0.00 0.00 33.01 31.73 2cub s GLN 60 CO 0.00 -0.33 0.11 0.08 -2.12 0.00 0.00 175.29 173.04 2cub s VAL 61 N -2.87 0.02 -0.00 1.09 1.01 -1.26 -0.23 120.40 118.15 2cub s VAL 61 Ca 0.50 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 2cub s VAL 61 Cb -0.10 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.11 2cub s VAL 61 CO 0.47 -0.09 0.72 0.61 0.00 0.00 0.00 175.10 176.81 2cub n GLY 62 N 2.68 0.44 3.70 4.51 0.00 -1.15 -4.75 105.19 110.61 2cub n GLY 62 Ca -0.15 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.59 3.36 0.05 1.61 0.52 0.77 -2.89 118.94 119.78 2cub s TRP 63 Ca 0.17 0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.58 2cub s TRP 63 Cb -0.01 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2cub s TRP 63 CO -0.00 0.18 -0.06 -0.59 0.02 0.00 0.00 176.95 176.50 2cub s PHE 64 N 0.69 0.60 -0.14 -1.98 -0.12 0.82 -2.54 117.98 115.30 2cub s PHE 64 Ca 0.08 -0.62 -0.29 0.00 -0.05 0.00 0.00 56.93 56.04 2cub s PHE 64 Cb -0.12 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 2cub s PHE 64 CO 0.01 -0.14 1.56 -1.25 -0.05 0.00 0.00 175.22 175.34 2cub s PRO 65 N -2.12 4.04 0.38 1.99 0.04 -1.26 -0.82 135.00 137.26 2cub s PRO 65 Ca -0.06 1.87 0.27 0.00 0.04 0.00 0.00 61.00 63.12 2cub s PRO 65 Cb -0.06 -3.96 1.37 0.00 0.04 0.00 0.00 34.50 31.89 2cub s PRO 65 CO -0.02 -0.99 1.81 0.66 0.04 0.00 0.00 177.00 178.51 2cub h SER 66 N 9.71 0.00 0.92 6.66 4.64 -1.90 -1.01 113.55 132.58 2cub h SER 66 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 2cub h SER 66 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2cub h SER 66 CO 0.98 0.00 -0.05 0.78 -0.87 0.00 0.00 176.83 177.66 2cub h ASN 67 N 0.00 0.00 0.74 4.97 4.21 -1.89 -2.76 115.58 120.86 2cub h ASN 67 Ca 0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 2cub h ASN 67 Cb 0.10 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.26 2cub h ASN 67 CO 0.00 0.05 -1.37 1.88 -1.29 0.00 0.00 177.43 176.70 2cub h TYR 68 N 0.00 0.00 -1.87 1.19 -1.99 -1.51 -3.47 116.97 109.32 2cub h TYR 68 Ca -0.00 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.24 2cub h TYR 68 Cb 0.53 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.23 2cub h TYR 68 CO 0.00 0.80 -0.44 0.14 -0.00 0.00 0.00 178.16 178.66 2cub s VAL 69 N -2.77 3.69 -0.03 -2.88 -7.23 -1.04 0.11 120.40 110.25 2cub s VAL 69 Ca -0.02 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2cub s VAL 69 Cb 0.08 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.81 2cub s VAL 69 CO 0.81 -0.19 -0.02 0.28 -0.31 0.00 0.00 175.10 175.68 2cub s THR 70 N -2.27 0.29 -0.50 5.32 -1.32 0.13 -4.83 115.64 112.45 2cub s THR 70 Ca 0.41 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.63 2cub s THR 70 Cb -0.06 -0.35 -0.07 0.00 -1.51 0.00 0.00 72.50 70.50 2cub s THR 70 CO 0.27 0.16 2.42 -0.62 -2.21 0.00 0.00 174.62 174.64 2cub n GLU 71 N 4.00 1.03 -2.60 7.08 1.02 -1.26 -0.29 120.64 129.61 2cub n GLU 71 Ca -0.25 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.46 2cub n GLU 71 Cb 0.51 -3.41 -0.02 0.00 -0.02 0.00 0.00 31.44 28.50 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 8.28 3.87 -0.02 3.49 2.56 -1.09 -4.92 118.70 130.86 2cub s GLU 72 Ca 0.99 0.81 -0.25 0.00 0.00 0.00 0.00 54.97 56.52 2cub s GLU 72 Cb -0.20 -3.84 -0.20 0.00 2.00 0.00 0.00 34.13 31.89 2cub s GLU 72 CO 0.27 -1.18 1.20 0.78 -0.56 0.00 0.00 175.26 175.77 2cub h GLY 73 N 10.78 0.12 -7.24 -1.50 0.00 -1.90 -3.40 103.07 99.93 2cub h GLY 73 Ca -0.22 -0.14 -0.34 0.00 0.00 0.00 0.00 47.33 46.62 2cub h GLY 73 CO 1.09 0.13 0.87 -0.35 0.00 0.00 0.00 176.54 178.27 2cub s ASP 74 N -5.94 5.31 -0.05 0.19 2.15 -1.26 -4.95 116.67 112.12 2cub s ASP 74 Ca -0.16 -0.68 -0.06 0.00 0.43 0.00 0.00 52.55 52.09 2cub s ASP 74 Cb 0.02 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2cub s ASP 74 CO 0.70 -2.57 0.19 -0.55 -0.17 0.00 0.00 175.17 172.77 2cub s SER 75 N 7.66 6.42 -0.26 -0.34 0.15 -1.26 -5.05 113.70 121.02 2cub s SER 75 Ca 0.67 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 57.49 2cub s SER 75 Cb -0.06 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.17 2cub s SER 75 CO 0.00 0.32 1.64 -2.16 1.20 0.00 0.00 173.24 174.24 2cub s PRO 76 N -1.52 3.68 -0.19 5.44 0.04 -1.26 -4.99 135.00 136.20 2cub s PRO 76 Ca 0.22 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 2cub s PRO 76 Cb -0.13 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2cub s PRO 76 CO 0.12 -1.43 0.37 -1.17 0.04 0.00 0.00 177.00 174.93 2cub s LEU 77 N 5.57 4.18 -1.21 -3.56 2.96 -1.26 -5.01 118.68 120.36 2cub s LEU 77 Ca 0.72 0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 55.07 2cub s LEU 77 Cb -0.23 -2.47 0.22 0.00 0.50 0.00 0.00 46.19 44.20 2cub s LEU 77 CO 0.30 -0.03 1.81 0.61 -1.32 0.00 0.00 176.35 177.72 2cub n GLY 78 N 3.80 5.04 3.67 7.98 0.00 -1.26 -4.97 105.19 119.45 2cub n GLY 78 Ca -0.09 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.27 2cub n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cub s ASP 79 N -0.20 6.00 -1.69 1.61 2.15 -1.26 -4.45 116.67 118.84 2cub s ASP 79 Ca 0.38 0.14 -0.16 0.00 0.43 0.00 0.00 52.55 53.34 2cub s ASP 79 Cb 0.10 -2.06 0.14 0.00 -0.30 0.00 0.00 42.92 40.80 2cub s ASP 79 CO 0.02 0.13 0.67 1.57 -0.17 0.00 0.00 175.17 177.39 2cub n HIS 80 N 3.83 -1.61 -1.47 -5.34 -0.00 -1.26 -4.82 115.22 104.55 2cub n HIS 80 Ca -0.16 0.76 -0.40 0.00 0.46 0.00 0.00 57.72 58.39 2cub n HIS 80 Cb 0.52 -2.86 0.02 0.00 -0.12 0.00 0.00 29.99 27.55 2cub n HIS 80 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2cub n VAL 81 N -4.35 2.00 -0.72 3.57 0.31 -1.26 -4.79 118.33 113.10 2cub n VAL 81 Ca 0.01 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.79 2cub n VAL 81 Cb 0.52 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.73 2cub n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cub n GLY 82 N 1.76 2.72 3.87 2.92 0.00 -1.26 -4.89 105.19 110.31 2cub n GLY 82 Ca 0.11 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2cub n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cub s SER 83 N 1.99 6.62 0.00 1.61 0.01 -1.26 -5.00 113.70 117.67 2cub s SER 83 Ca 0.29 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2cub s SER 83 Cb 0.14 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2cub s SER 83 CO -0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2cub n GLY 84 N -0.18 -1.26 3.68 3.44 0.00 -1.26 -5.13 105.19 104.48 2cub n GLY 84 Ca 0.01 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 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 4.24 0.50 1.61 0.04 -1.26 -5.02 135.00 135.11 2cub s PRO 85 Ca 0.00 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 2cub s PRO 85 Cb 0.00 -3.73 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 2cub s PRO 85 CO 0.00 -0.69 0.77 -1.12 0.04 0.00 0.00 177.00 176.00 2cub s SER 86 N 2.38 5.92 0.29 6.66 0.01 -1.26 -4.96 113.70 122.74 2cub s SER 86 Ca 0.66 0.64 -0.01 0.00 1.31 0.00 0.00 55.95 58.55 2cub s SER 86 Cb -0.31 -1.85 0.64 0.00 0.21 0.00 0.00 66.02 64.71 2cub s SER 86 CO 0.26 -0.75 1.48 -0.24 0.41 0.00 0.00 173.24 174.40 2cub n SER 87 N -2.28 -0.17 -0.70 2.44 2.88 -1.26 -5.36 113.62 109.17 2cub n SER 87 Ca 0.02 1.61 0.09 0.00 -1.33 0.00 0.00 58.87 59.25 2cub n SER 87 Cb 0.57 -0.56 0.07 0.00 -0.75 0.00 0.00 64.21 63.54 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42