#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 0.21 -4.31 1.61 4.64 -2.09 -3.41 113.55 110.20 2cub h SER 2 Ca 0.00 0.02 -0.39 0.00 -0.47 0.00 0.00 61.79 60.95 2cub h SER 2 Cb 0.00 -0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 61.82 2cub h SER 2 CO 0.00 0.08 -0.78 -0.94 -0.87 0.00 0.00 176.83 174.33 2cub s SER 3 N -5.70 1.31 -0.12 4.97 1.04 -1.26 -5.00 113.70 108.95 2cub s SER 3 Ca -0.07 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 2cub s SER 3 Cb 0.22 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2cub s SER 3 CO 0.77 0.01 0.11 0.61 0.98 0.00 0.00 173.24 175.72 2cub n GLY 4 N 2.10 -4.10 3.16 7.32 0.00 -1.26 -5.04 105.19 107.36 2cub n GLY 4 Ca -0.18 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.48 3.11 0.46 1.61 0.15 -1.26 -3.54 113.70 113.74 2cub s SER 5 Ca -0.12 -0.61 -0.23 0.00 0.70 0.00 0.00 55.95 55.68 2cub s SER 5 Cb 0.01 -1.45 -0.07 0.00 -1.71 0.00 0.00 66.02 62.80 2cub s SER 5 CO 0.43 0.07 1.22 -0.44 1.20 0.00 0.00 173.24 175.72 2cub s SER 6 N 0.89 6.04 0.00 5.45 0.01 -1.26 -4.55 113.70 120.28 2cub s SER 6 Ca -0.05 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.65 2cub s SER 6 Cb -0.15 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2cub s SER 6 CO -0.04 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.21 2cub n GLY 7 N 0.54 0.66 3.17 3.44 0.00 -1.26 -5.13 105.19 106.62 2cub n GLY 7 Ca 0.07 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 2.08 0.47 1.61 -4.77 -1.26 -5.13 116.67 107.67 2cub s ASP 8 Ca 0.00 -0.32 -0.22 0.00 -3.30 0.00 0.00 52.55 48.70 2cub s ASP 8 Cb 0.00 -0.25 -0.07 0.00 -1.09 0.00 0.00 42.92 41.51 2cub s ASP 8 CO 0.00 0.21 1.16 -2.16 0.70 0.00 0.00 175.17 175.08 2cub s PRO 9 N -0.39 3.69 -0.34 2.11 0.04 -1.26 -4.99 135.00 133.86 2cub s PRO 9 Ca 0.06 1.75 0.14 0.00 0.04 0.00 0.00 61.00 62.99 2cub s PRO 9 Cb -0.07 -2.34 0.46 0.00 0.04 0.00 0.00 34.50 32.59 2cub s PRO 9 CO -0.01 -0.60 1.05 0.41 0.04 0.00 0.00 177.00 177.89 2cub n GLY 10 N 0.40 3.37 3.69 0.56 0.00 -1.26 -5.07 105.19 106.89 2cub n GLY 10 Ca 0.08 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.43 4.29 -0.32 1.61 8.01 -1.26 -5.04 118.70 122.56 2cub s GLU 11 Ca 0.36 0.54 -0.01 0.00 0.01 0.00 0.00 54.97 55.87 2cub s GLU 11 Cb 0.41 -3.50 0.10 0.00 -4.31 0.00 0.00 34.13 26.84 2cub s GLU 11 CO -0.04 -0.01 0.12 0.50 0.01 0.00 0.00 175.26 175.84 2cub s ARG 12 N 1.17 0.74 -0.28 1.61 3.52 -1.26 -4.58 118.95 119.86 2cub s ARG 12 Ca 0.28 -1.15 -0.09 0.00 -0.13 0.00 0.00 55.73 54.64 2cub s ARG 12 Cb -0.16 -1.96 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 2cub s ARG 12 CO 0.11 -1.01 0.12 -0.51 -0.81 0.00 0.00 175.30 173.20 2cub s LEU 13 N 1.49 3.82 0.00 -0.88 2.01 -1.26 -5.06 118.68 118.80 2cub s LEU 13 Ca 0.11 -0.36 0.02 0.00 0.01 0.00 0.00 54.13 53.91 2cub s LEU 13 Cb -0.18 -1.97 -0.01 0.00 0.01 0.00 0.00 46.19 44.04 2cub s LEU 13 CO -0.22 -0.12 0.07 0.00 1.01 0.00 0.00 176.35 177.09 2cub n TYR 14 N 4.96 0.44 -3.93 0.29 0.18 -1.26 -2.13 117.16 115.72 2cub n TYR 14 Ca -0.15 -2.11 -0.30 0.00 1.88 0.00 0.00 57.90 57.22 2cub n TYR 14 Cb 0.50 -0.11 -0.06 0.00 -0.38 0.00 0.00 39.34 39.30 2cub n TYR 14 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2cub n ASP 15 N -1.47 -1.57 -0.08 9.48 5.75 0.57 -4.78 116.55 124.44 2cub n ASP 15 Ca -0.10 -0.73 -0.13 0.00 -0.01 0.00 0.00 54.79 53.83 2cub n ASP 15 Cb 0.51 -1.41 -0.05 0.00 -1.03 0.00 0.00 41.12 39.14 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2cub h LEU 16 N -0.61 0.59 1.14 -2.12 3.38 -1.58 -3.47 115.31 112.64 2cub h LEU 16 Ca -0.42 -0.45 -0.36 0.00 0.09 0.00 0.00 57.88 56.74 2cub h LEU 16 Cb 1.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2cub h LEU 16 CO 0.63 0.92 -0.52 -3.20 0.09 0.00 0.00 178.44 176.36 2cub n ASN 17 N -4.41 -4.46 -4.62 -0.43 5.15 0.52 -4.91 115.26 102.10 2cub n ASN 17 Ca -0.04 -0.23 -0.42 0.00 -0.60 0.00 0.00 54.58 53.29 2cub n ASN 17 Cb 0.40 -3.68 -0.05 0.00 -0.53 0.00 0.00 39.78 35.92 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2cub s MET 18 N -5.70 4.06 -0.19 1.20 -1.94 -0.62 -4.72 119.30 111.38 2cub s MET 18 Ca 0.28 0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 54.65 2cub s MET 18 Cb -0.14 -3.68 -0.03 0.00 2.01 0.00 0.00 34.83 32.98 2cub s MET 18 CO 0.35 -0.56 1.59 -1.25 -0.01 0.00 0.00 175.02 175.13 2cub s PRO 19 N 2.81 3.89 0.53 2.03 0.04 -1.26 -0.23 135.00 142.81 2cub s PRO 19 Ca 0.32 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.16 2cub s PRO 19 Cb -0.15 -4.01 0.04 0.00 0.04 0.00 0.00 34.50 30.43 2cub s PRO 19 CO 0.10 -1.18 0.48 0.00 0.04 0.00 0.00 177.00 176.44 2cub s ALA 20 N 4.88 4.43 -0.16 8.56 0.00 0.95 -4.15 121.76 136.28 2cub s ALA 20 Ca 0.70 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2cub s ALA 20 Cb -0.26 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 21.99 2cub s ALA 20 CO 0.28 -0.50 -0.04 -0.47 0.00 0.00 0.00 175.76 175.03 2cub s TYR 21 N -2.71 1.62 -0.51 0.00 5.04 0.24 -1.73 117.35 119.30 2cub s TYR 21 Ca 0.42 -1.04 -0.27 0.00 -2.44 0.00 0.00 57.07 53.73 2cub s TYR 21 Cb -0.03 -1.28 -0.02 0.00 0.35 0.00 0.00 41.96 40.98 2cub s TYR 21 CO 0.26 -0.61 1.88 0.08 -1.34 0.00 0.00 175.55 175.82 2cub s VAL 22 N 1.66 3.37 0.08 3.14 1.01 -0.72 -0.65 120.40 128.29 2cub s VAL 22 Ca 0.01 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.35 2cub s VAL 22 Cb -0.15 -3.78 -0.19 0.00 0.00 0.00 0.00 36.38 32.26 2cub s VAL 22 CO -0.08 -0.68 1.23 0.11 0.00 0.00 0.00 175.10 175.69 2cub h LYS 23 N 14.64 0.00 -4.33 2.72 1.57 -0.33 -0.85 116.57 129.98 2cub h LYS 23 Ca -0.28 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.07 2cub h LYS 23 Cb 1.17 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.16 2cub h LYS 23 CO 1.15 0.91 -0.78 -0.06 -0.57 0.00 0.00 179.45 180.10 2cub s PHE 24 N -2.72 0.92 -0.20 -1.35 0.08 -1.01 -4.70 117.98 108.99 2cub s PHE 24 Ca 0.01 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 2cub s PHE 24 Cb 0.10 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 2cub s PHE 24 CO 0.81 -0.16 1.75 0.54 -0.10 0.00 0.00 175.22 178.07 2cub s ASN 25 N 0.54 6.22 -0.13 1.36 4.22 -1.26 -4.44 114.94 121.45 2cub s ASN 25 Ca -0.08 1.75 -0.14 0.00 -2.14 0.00 0.00 52.86 52.24 2cub s ASN 25 Cb -0.12 -2.53 -0.05 0.00 1.28 0.00 0.00 41.25 39.84 2cub s ASN 25 CO 0.01 -1.37 0.32 -0.47 -2.04 0.00 0.00 177.10 173.55 2cub s TYR 26 N 5.67 3.51 -0.50 1.54 6.14 -1.07 -4.91 117.35 127.73 2cub s TYR 26 Ca 0.78 0.68 -0.13 0.00 0.64 0.00 0.00 57.07 59.04 2cub s TYR 26 Cb -0.28 -2.33 0.12 0.00 0.42 0.00 0.00 41.96 39.89 2cub s TYR 26 CO 0.32 0.32 0.42 0.00 0.64 0.00 0.00 175.55 177.25 2cub s MET 27 N 0.18 2.76 0.48 4.97 0.23 -1.26 -1.44 119.30 125.21 2cub s MET 27 Ca 0.19 -1.70 -0.19 0.00 -1.03 0.00 0.00 55.69 52.95 2cub s MET 27 Cb -0.14 -4.12 -0.09 0.00 -1.53 0.00 0.00 34.83 28.96 2cub s MET 27 CO 0.06 -1.24 0.99 0.00 -2.03 0.00 0.00 175.02 172.80 2cub s ALA 28 N 1.50 2.98 0.00 3.16 0.00 -1.26 -4.98 121.76 123.16 2cub s ALA 28 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2cub s ALA 28 Cb -0.28 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2cub s ALA 28 CO 0.02 -0.15 0.00 0.39 0.00 0.00 0.00 175.76 176.01 2cub n GLU 29 N -1.10 1.68 -4.53 0.00 1.02 -1.26 -4.90 120.64 111.55 2cub n GLU 29 Ca 0.08 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.88 2cub n GLU 29 Cb 0.54 -0.89 -0.11 0.00 -0.02 0.00 0.00 31.44 30.96 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 2.70 0.38 3.49 0.52 -1.26 -5.00 118.95 118.17 2cub s ARG 30 Ca 0.00 -0.60 0.19 0.00 -0.52 0.00 0.00 55.73 54.79 2cub s ARG 30 Cb 0.00 -2.58 1.14 0.00 0.52 0.00 0.00 34.95 34.03 2cub s ARG 30 CO 0.00 0.64 1.71 1.49 0.02 0.00 0.00 175.30 179.16 2cub h GLU 31 N 4.93 0.33 -0.17 3.54 4.81 -1.98 0.99 114.58 127.02 2cub h GLU 31 Ca -0.49 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2cub h GLU 31 Cb 1.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2cub h GLU 31 CO 0.53 0.22 -0.10 0.38 -0.73 0.00 0.00 179.01 179.31 2cub h ASP 32 N 0.34 0.25 -3.82 1.04 2.03 -1.94 -3.43 116.42 110.88 2cub h ASP 32 Ca 0.69 -0.05 -0.48 0.00 -0.73 0.00 0.00 57.03 56.46 2cub h ASP 32 Cb 1.74 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 40.16 2cub h ASP 32 CO -0.43 0.38 0.17 -1.61 -1.03 0.00 0.00 179.24 176.72 2cub s GLU 33 N -4.79 3.99 -0.01 4.15 2.02 0.34 0.14 118.70 124.55 2cub s GLU 33 Ca -0.06 0.73 0.07 0.00 0.02 0.00 0.00 54.97 55.74 2cub s GLU 33 Cb 0.16 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 2cub s GLU 33 CO 0.73 0.05 -0.22 -1.17 0.02 0.00 0.00 175.26 174.67 2cub s LEU 34 N -3.28 2.32 -0.40 1.80 2.96 -1.19 -4.51 118.68 116.37 2cub s LEU 34 Ca 0.55 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.83 2cub s LEU 34 Cb -0.10 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.20 2cub s LEU 34 CO 0.21 0.31 0.70 -0.94 -1.32 0.00 0.00 176.35 175.30 2cub s SER 35 N -0.87 6.42 0.58 3.68 1.04 -1.26 -4.29 113.70 119.00 2cub s SER 35 Ca 0.11 0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 2cub s SER 35 Cb -0.10 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.68 2cub s SER 35 CO 0.01 -0.75 0.87 -0.76 0.98 0.00 0.00 173.24 173.59 2cub s LEU 36 N 2.96 3.23 -0.09 2.42 1.43 -0.52 -4.89 118.68 123.21 2cub s LEU 36 Ca 0.27 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2cub s LEU 36 Cb -0.13 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.79 2cub s LEU 36 CO 0.18 -1.11 -0.04 -0.63 0.23 0.00 0.00 176.35 174.99 2cub s ILE 37 N -2.94 0.67 -0.04 -0.59 1.01 -1.26 -2.61 121.20 115.43 2cub s ILE 37 Ca 0.54 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 2cub s ILE 37 Cb -0.10 -0.76 -0.08 0.00 0.01 0.00 0.00 42.46 41.53 2cub s ILE 37 CO 0.43 0.31 2.04 1.17 0.00 0.00 0.00 174.94 178.88 2cub n LYS 38 N 4.99 2.56 0.00 2.79 4.81 -1.26 -2.28 118.16 129.77 2cub n LYS 38 Ca -0.10 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2cub n LYS 38 Cb 0.50 -3.03 0.00 0.00 0.02 0.00 0.00 35.03 32.52 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 4.89 1.51 2.60 3.14 0.00 -0.32 -4.92 105.19 112.09 2cub n GLY 39 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.26 0.00 -4.58 2.61 -2.24 -0.97 -5.01 114.28 102.83 2cub n THR 40 Ca 0.00 -1.87 -0.23 0.00 -2.27 0.00 0.00 64.05 59.69 2cub n THR 40 Cb 0.00 0.71 -0.16 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.19 1.30 0.43 -0.78 2.20 -1.26 -1.76 119.74 116.68 2cub s LYS 41 Ca 0.19 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 2cub s LYS 41 Cb 0.01 -1.17 -0.06 0.00 -1.51 0.00 0.00 37.83 35.10 2cub s LYS 41 CO 0.13 0.17 0.01 0.14 -0.36 0.00 0.00 175.35 175.44 2cub s VAL 42 N 0.12 1.75 -0.23 4.02 -7.23 -0.71 -4.93 120.40 113.18 2cub s VAL 42 Ca -0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2cub s VAL 42 Cb -0.10 -2.77 0.05 0.00 0.56 0.00 0.00 36.38 34.12 2cub s VAL 42 CO 0.01 0.00 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.03 2cub s ILE 43 N -2.77 2.14 -0.09 -0.62 -1.09 -1.08 -0.03 121.20 117.65 2cub s ILE 43 Ca 0.27 -1.40 -0.30 0.00 -2.23 0.00 0.00 60.65 56.99 2cub s ILE 43 Cb 0.08 -2.14 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2cub s ILE 43 CO 0.14 0.16 1.16 -0.69 -1.23 0.00 0.00 174.94 174.48 2cub s VAL 44 N 1.16 4.39 -0.15 2.92 1.01 0.68 -0.59 120.40 129.81 2cub s VAL 44 Ca -0.04 1.69 0.08 0.00 0.00 0.00 0.00 61.98 63.71 2cub s VAL 44 Cb -0.18 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 2cub s VAL 44 CO -0.08 -0.03 -0.03 0.23 0.00 0.00 0.00 175.10 175.20 2cub n MET 45 N 5.39 1.23 -3.93 2.72 2.81 0.12 0.20 117.12 125.65 2cub n MET 45 Ca 0.11 0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.95 2cub n MET 45 Cb 0.47 -1.36 -0.09 0.00 -0.71 0.00 0.00 33.22 31.53 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 -2.35 0.69 -0.03 0.03 2.02 -0.03 -0.32 118.70 118.71 2cub s GLU 46 Ca -0.14 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 53.96 2cub s GLU 46 Cb 0.05 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.57 2cub s GLU 46 CO 0.51 -0.18 -0.02 0.15 0.02 0.00 0.00 175.26 175.74 2cub s LYS 47 N -3.27 0.47 -0.30 1.61 1.02 -0.91 -0.71 119.74 117.66 2cub s LYS 47 Ca 0.01 -0.00 -0.13 0.00 0.02 0.00 0.00 55.97 55.87 2cub s LYS 47 Cb 0.03 -0.57 -0.04 0.00 -0.52 0.00 0.00 37.83 36.73 2cub s LYS 47 CO -0.08 -0.10 0.26 0.00 -0.92 0.00 0.00 175.35 174.52 2cub n SER 49 N 5.17 0.15 -0.11 0.00 2.88 -1.26 0.99 113.62 121.44 2cub n SER 49 Ca -0.12 1.25 -0.05 0.00 -1.33 0.00 0.00 58.87 58.62 2cub n SER 49 Cb 0.51 -0.61 0.02 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.14 0.00 -3.46 3.32 -1.97 -3.46 116.42 110.71 2cub h ASP 50 Ca 0.87 0.09 0.00 0.00 0.02 0.00 0.00 57.03 58.00 2cub h ASP 50 Cb 2.98 0.15 0.00 0.00 0.22 0.00 0.00 39.33 42.68 2cub h ASP 50 CO -0.34 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 177.75 2cub n GLY 51 N -1.26 0.77 3.76 2.75 0.00 0.28 -5.14 105.19 106.35 2cub n GLY 51 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 3.48 0.23 1.61 0.52 -1.24 -3.47 118.94 120.06 2cub s TRP 52 Ca 0.00 1.65 0.10 0.00 0.02 0.00 0.00 56.10 57.87 2cub s TRP 52 Cb 0.00 -3.36 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 2cub s TRP 52 CO 0.00 -0.79 -0.08 -1.58 0.02 0.00 0.00 176.95 174.51 2cub s TRP 53 N -1.16 2.59 -0.25 -1.98 0.52 0.10 -0.95 118.94 117.81 2cub s TRP 53 Ca 0.45 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.33 2cub s TRP 53 Cb -0.33 -1.19 0.07 0.00 -1.15 0.00 0.00 33.47 30.86 2cub s TRP 53 CO 0.43 0.59 -0.02 0.50 0.02 0.00 0.00 176.95 178.47 2cub s ARG 54 N -3.27 1.46 0.00 4.98 3.52 0.12 0.63 118.95 126.39 2cub s ARG 54 Ca 0.28 -1.03 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2cub s ARG 54 Cb -0.07 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 2cub s ARG 54 CO 0.17 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 2cub n GLY 55 N 4.68 6.76 3.17 8.12 0.00 -1.15 0.13 105.19 126.90 2cub n GLY 55 Ca -0.10 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 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 0.97 1.34 -0.30 1.61 0.15 0.24 -2.93 113.70 114.78 2cub s SER 56 Ca 0.00 -0.86 0.01 0.00 0.70 0.00 0.00 55.95 55.80 2cub s SER 56 Cb 0.00 0.03 0.19 0.00 -1.71 0.00 0.00 66.02 64.53 2cub s SER 56 CO 0.00 -0.32 0.59 -0.47 1.20 0.00 0.00 173.24 174.24 2cub s TYR 57 N -2.74 -1.67 -1.09 3.44 6.14 0.46 -2.65 117.35 119.24 2cub s TYR 57 Ca 0.07 1.52 -0.05 0.00 0.64 0.00 0.00 57.07 59.24 2cub s TYR 57 Cb -0.01 0.49 0.01 0.00 0.42 0.00 0.00 41.96 42.87 2cub s TYR 57 CO -0.01 -0.94 0.94 -1.71 0.64 0.00 0.00 175.55 174.47 2cub n ASN 58 N 5.43 -4.69 0.00 4.32 2.85 -1.26 -1.87 115.26 120.04 2cub n ASN 58 Ca 0.01 -0.47 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 2cub n ASN 58 Cb 0.52 -4.29 0.00 0.00 1.24 0.00 0.00 39.78 37.25 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 -1.59 2.78 3.85 8.20 0.00 -1.26 -5.00 105.19 112.17 2cub n GLY 59 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.12 3.98 -0.02 1.61 -0.21 -0.78 -5.09 119.66 119.03 2cub s GLN 60 Ca 0.00 0.73 -0.01 0.00 0.02 0.00 0.00 55.36 56.11 2cub s GLN 60 Cb 0.00 -2.34 0.01 0.00 1.00 0.00 0.00 33.01 31.68 2cub s GLN 60 CO 0.00 0.03 0.04 0.08 -2.12 0.00 0.00 175.29 173.32 2cub s VAL 61 N -2.19 -0.02 0.00 1.09 1.01 -1.26 -0.40 120.40 118.63 2cub s VAL 61 Ca 0.55 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2cub s VAL 61 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.21 2cub s VAL 61 CO 0.22 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2cub n GLY 62 N 3.50 2.17 3.04 4.51 0.00 -1.15 -4.81 105.19 112.45 2cub n GLY 62 Ca -0.18 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.22 2.34 0.14 1.61 0.52 0.38 -2.93 118.94 118.79 2cub s TRP 63 Ca 0.00 -1.37 0.08 0.00 0.02 0.00 0.00 56.10 54.83 2cub s TRP 63 Cb 0.00 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 2cub s TRP 63 CO 0.00 -0.71 -0.18 -0.59 0.02 0.00 0.00 176.95 175.49 2cub s PHE 64 N 1.43 1.74 -0.20 -1.98 -0.12 0.21 -3.15 117.98 115.91 2cub s PHE 64 Ca 0.04 -0.47 -0.29 0.00 -0.05 0.00 0.00 56.93 56.16 2cub s PHE 64 Cb -0.13 -0.89 -0.03 0.00 -0.63 0.00 0.00 43.02 41.33 2cub s PHE 64 CO -0.11 0.27 1.60 -1.25 -0.05 0.00 0.00 175.22 175.68 2cub s PRO 65 N -2.55 3.87 0.48 1.99 0.04 -1.26 0.03 135.00 137.60 2cub s PRO 65 Ca 0.12 1.73 0.26 0.00 0.04 0.00 0.00 61.00 63.15 2cub s PRO 65 Cb -0.07 -4.01 1.42 0.00 0.04 0.00 0.00 34.50 31.88 2cub s PRO 65 CO 0.05 -1.20 1.77 0.66 0.04 0.00 0.00 177.00 178.33 2cub h SER 66 N 10.40 0.00 0.44 6.66 4.64 -1.88 0.95 113.55 134.76 2cub h SER 66 Ca -0.34 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 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 0.99 0.00 -0.31 0.78 -0.87 0.00 0.00 176.83 177.43 2cub h ASN 67 N 0.00 0.00 0.89 4.97 2.35 -1.89 -2.73 115.58 119.17 2cub h ASN 67 Ca 0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 2cub h ASN 67 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2cub h ASN 67 CO 0.00 0.31 -1.14 1.88 -1.65 0.00 0.00 177.43 176.83 2cub h TYR 68 N 0.00 0.02 -1.86 1.19 -1.99 -1.15 -3.47 116.97 109.72 2cub h TYR 68 Ca -0.00 -0.02 -0.48 0.00 2.00 0.00 0.00 58.73 60.23 2cub h TYR 68 Cb 0.61 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.31 2cub h TYR 68 CO 0.00 1.01 -0.42 0.14 -0.00 0.00 0.00 178.16 178.89 2cub s VAL 69 N -2.69 3.75 0.15 -2.88 -7.23 -1.03 0.42 120.40 110.90 2cub s VAL 69 Ca -0.00 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2cub s VAL 69 Cb 0.10 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 2cub s VAL 69 CO 0.82 -0.18 0.02 0.28 -0.31 0.00 0.00 175.10 175.73 2cub s THR 70 N -2.26 0.46 -1.14 5.32 -1.32 0.17 -4.84 115.64 112.04 2cub s THR 70 Ca 0.41 -1.95 -0.09 0.00 -1.21 0.00 0.00 61.69 58.86 2cub s THR 70 Cb -0.07 -2.05 0.26 0.00 -1.51 0.00 0.00 72.50 69.13 2cub s THR 70 CO 0.28 -0.51 1.30 -0.62 -2.21 0.00 0.00 174.62 172.86 2cub n GLU 71 N -0.17 3.72 -1.53 7.08 1.02 -1.26 0.81 120.64 130.31 2cub n GLU 71 Ca -0.07 -4.31 -0.37 0.00 -0.02 0.00 0.00 57.16 52.39 2cub n GLU 71 Cb 0.63 -2.65 0.06 0.00 -0.02 0.00 0.00 31.44 29.46 2cub n GLU 71 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2cub n GLU 72 N 2.99 0.71 0.00 3.49 -0.00 -1.26 -4.55 120.64 122.02 2cub n GLU 72 Ca 0.28 0.29 0.00 0.00 -0.00 0.00 0.00 57.16 57.72 2cub n GLU 72 Cb 0.38 -2.08 0.00 0.00 -0.00 0.00 0.00 31.44 29.74 2cub n GLU 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cub n GLY 73 N 1.37 0.93 3.40 -1.84 0.00 -1.26 -4.97 105.19 102.82 2cub n GLY 73 Ca 0.13 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 2cub n GLY 73 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cub n ASP 74 N 0.00 -1.83 -4.65 1.61 5.68 -1.26 -4.98 116.55 111.13 2cub n ASP 74 Ca 0.00 0.66 -0.33 0.00 -0.50 0.00 0.00 54.79 54.63 2cub n ASP 74 Cb 0.00 -1.10 -0.10 0.00 -1.14 0.00 0.00 41.12 38.78 2cub n ASP 74 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2cub s SER 75 N -1.20 4.92 -0.26 -1.12 0.15 -1.26 -5.00 113.70 109.93 2cub s SER 75 Ca 0.64 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.95 2cub s SER 75 Cb -0.42 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.63 2cub s SER 75 CO 0.59 0.29 1.63 -2.16 1.20 0.00 0.00 173.24 174.79 2cub s PRO 76 N -1.43 3.69 -0.12 5.44 0.04 -1.26 -4.95 135.00 136.40 2cub s PRO 76 Ca 0.18 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2cub s PRO 76 Cb -0.11 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 2cub s PRO 76 CO 0.08 -1.42 1.63 -0.51 0.04 0.00 0.00 177.00 176.82 2cub s LEU 77 N 5.55 4.14 -0.69 -3.56 2.01 -1.26 -4.92 118.68 119.94 2cub s LEU 77 Ca 0.72 1.97 0.02 0.00 0.01 0.00 0.00 54.13 56.86 2cub s LEU 77 Cb -0.23 -3.53 0.36 0.00 0.01 0.00 0.00 46.19 42.79 2cub s LEU 77 CO 0.30 -1.06 1.43 0.61 1.01 0.00 0.00 176.35 178.65 2cub n GLY 78 N 4.32 5.82 3.56 -3.19 0.00 -1.26 -5.01 105.19 109.44 2cub n GLY 78 Ca 0.18 -2.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.15 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 -2.49 4.70 0.10 1.61 1.01 -1.26 -4.87 116.67 115.47 2cub s ASP 79 Ca 0.47 1.27 -0.36 0.00 0.71 0.00 0.00 52.55 54.65 2cub s ASP 79 Cb 0.34 -2.50 -0.17 0.00 1.01 0.00 0.00 42.92 41.59 2cub s ASP 79 CO -0.22 -2.64 1.25 1.41 0.21 0.00 0.00 175.17 175.17 2cub n HIS 80 N 14.81 1.32 -3.87 4.23 8.25 -1.26 -4.94 115.22 133.77 2cub n HIS 80 Ca 0.35 0.70 -0.35 0.00 -0.26 0.00 0.00 57.72 58.16 2cub n HIS 80 Cb 0.52 -2.28 -0.08 0.00 1.12 0.00 0.00 29.99 29.27 2cub n HIS 80 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2cub s VAL 81 N 0.22 5.17 -0.23 1.59 -7.23 -1.26 -4.97 120.40 113.69 2cub s VAL 81 Ca 0.82 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 2cub s VAL 81 Cb -0.96 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 32.65 2cub s VAL 81 CO 0.50 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 176.37 2cub n GLY 82 N 3.29 -0.12 2.68 2.32 0.00 -1.26 -5.08 105.19 107.02 2cub n GLY 82 Ca -0.17 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 2cub n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cub s SER 83 N -4.00 2.02 0.18 1.61 0.15 -1.26 -5.15 113.70 107.26 2cub s SER 83 Ca 0.00 -0.55 0.11 0.00 0.70 0.00 0.00 55.95 56.21 2cub s SER 83 Cb 0.00 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 2cub s SER 83 CO 0.00 -0.36 -0.23 -0.83 1.20 0.00 0.00 173.24 173.03 2cub s GLY 84 N 2.24 1.62 0.75 9.45 0.00 -1.26 -5.14 107.32 114.98 2cub s GLY 84 Ca 0.06 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.07 2cub s GLY 84 CO -0.17 -1.62 1.10 2.56 0.00 0.00 0.00 173.10 174.97 2cub s PRO 85 N -2.65 2.37 -0.09 2.90 0.04 -1.26 -5.01 135.00 131.30 2cub s PRO 85 Ca 0.19 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 2cub s PRO 85 Cb -0.08 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 2cub s PRO 85 CO 0.09 -1.56 0.48 0.77 0.04 0.00 0.00 177.00 176.82 2cub h SER 86 N -0.87 -0.08 -0.27 6.66 0.02 -2.08 -3.35 113.55 113.58 2cub h SER 86 Ca -0.44 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 2cub h SER 86 Cb 1.23 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2cub h SER 86 CO 0.52 0.57 0.10 -1.28 -1.14 0.00 0.00 176.83 175.60 2cub h SER 87 N -0.98 0.38 0.00 3.07 0.87 -2.08 -3.58 113.55 111.24 2cub h SER 87 Ca -0.01 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2cub h SER 87 Cb 0.45 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2cub h SER 87 CO 0.02 0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.39