#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 n SER 2 N 0.00 -1.15 -3.97 -3.46 3.41 -1.26 -5.07 113.62 102.12 1ci5 n SER 2 Ca 0.00 -1.03 -0.28 0.00 -0.26 0.00 0.00 58.87 57.31 1ci5 n SER 2 Cb 0.00 -0.62 -0.17 0.00 -0.26 0.00 0.00 64.21 63.16 1ci5 n SER 2 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1ci5 s GLN 3 N -4.60 1.88 0.21 4.33 2.00 -1.19 -5.00 119.66 117.28 1ci5 s GLN 3 Ca 0.44 -0.40 -0.17 0.00 -2.00 0.00 0.00 55.36 53.23 1ci5 s GLN 3 Cb -0.03 -1.78 -0.08 0.00 0.80 0.00 0.00 33.01 31.92 1ci5 s GLN 3 CO 0.33 -0.21 0.66 1.14 -0.50 0.00 0.00 175.29 176.71 1ci5 s GLN 4 N 1.46 4.11 -0.00 1.67 -2.07 -1.26 -0.65 119.66 122.92 1ci5 s GLN 4 Ca 0.02 0.69 0.06 0.00 -1.82 0.00 0.00 55.36 54.31 1ci5 s GLN 4 Cb -0.13 -2.84 -0.02 0.00 -1.09 0.00 0.00 33.01 28.94 1ci5 s GLN 4 CO -0.07 0.39 -0.19 0.42 -1.32 0.00 0.00 175.29 174.52 1ci5 s ILE 5 N -1.57 1.53 -0.25 3.63 -1.09 0.35 -4.88 121.20 118.92 1ci5 s ILE 5 Ca 0.43 -0.89 -0.14 0.00 -2.23 0.00 0.00 60.65 57.82 1ci5 s ILE 5 Cb -0.15 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.41 1ci5 s ILE 5 CO 0.20 0.38 0.32 -0.31 -1.23 0.00 0.00 174.94 174.30 1ci5 s TYR 6 N -0.52 3.28 0.39 3.97 2.02 -1.26 -1.33 117.35 123.90 1ci5 s TYR 6 Ca 0.07 0.38 0.04 0.00 -0.37 0.00 0.00 57.07 57.19 1ci5 s TYR 6 Cb -0.08 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1ci5 s TYR 6 CO -0.00 -0.12 0.09 0.20 -1.57 0.00 0.00 175.55 174.14 1ci5 s GLY 7 N 1.43 2.44 -0.12 0.71 0.00 0.14 -4.93 107.32 107.00 1ci5 s GLY 7 Ca 0.13 -1.49 -0.12 0.00 0.00 0.00 0.00 44.72 43.25 1ci5 s GLY 7 CO 0.09 -1.86 0.33 -1.34 0.00 0.00 0.00 173.10 170.31 1ci5 s VAL 8 N -3.21 0.00 0.22 1.40 -7.23 -1.26 -0.72 120.40 109.61 1ci5 s VAL 8 Ca 0.27 -0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 1ci5 s VAL 8 Cb 0.05 -0.47 -0.15 0.00 0.56 0.00 0.00 36.38 36.37 1ci5 s VAL 8 CO 0.14 -0.01 0.97 0.29 -0.31 0.00 0.00 175.10 176.18 1ci5 n LYS 9 N 2.84 0.97 -1.65 4.82 4.76 0.10 0.25 118.16 130.25 1ci5 n LYS 9 Ca -0.13 0.34 -0.18 0.00 -2.87 0.00 0.00 58.31 55.47 1ci5 n LYS 9 Cb 0.58 -1.69 -0.06 0.00 -1.84 0.00 0.00 35.03 32.01 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ci5 n TYR 10 N 0.69 -0.14 -4.17 2.13 4.01 -0.96 -4.82 117.16 113.91 1ci5 n TYR 10 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.74 1ci5 n TYR 10 Cb 0.27 -3.11 -0.02 0.00 -0.31 0.00 0.00 39.34 36.17 1ci5 n TYR 10 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ci5 n GLY 11 N -0.84 3.69 3.41 2.72 0.00 0.14 -4.74 105.19 109.57 1ci5 n GLY 11 Ca -0.18 -2.27 -0.23 0.00 0.00 0.00 0.00 46.02 43.34 1ci5 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ci5 s ASN 12 N -2.23 3.16 0.01 1.61 0.01 -1.26 -1.53 114.94 114.71 1ci5 s ASN 12 Ca 0.03 -0.97 -0.26 0.00 -0.71 0.00 0.00 52.86 50.95 1ci5 s ASN 12 Cb -0.00 -0.23 0.06 0.00 0.41 0.00 0.00 41.25 41.49 1ci5 s ASN 12 CO 0.02 -0.01 0.60 -0.69 -1.51 0.00 0.00 177.10 175.51 1ci5 s VAL 13 N -2.37 0.01 0.03 1.60 1.01 -1.02 -4.75 120.40 114.91 1ci5 s VAL 13 Ca 0.24 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1ci5 s VAL 13 Cb -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1ci5 s VAL 13 CO 0.11 -0.05 -0.17 -0.89 0.00 0.00 0.00 175.10 174.09 1ci5 s THR 14 N -1.96 1.38 -0.57 3.92 2.01 -1.26 -0.61 115.64 118.55 1ci5 s THR 14 Ca -0.08 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 1ci5 s THR 14 Cb -0.01 -1.21 0.15 0.00 0.01 0.00 0.00 72.50 71.44 1ci5 s THR 14 CO 0.03 0.15 0.39 -0.36 -0.69 0.00 0.00 174.62 174.13 1ci5 s PHE 15 N -0.76 3.46 0.48 4.92 0.08 0.47 -4.96 117.98 121.68 1ci5 s PHE 15 Ca 0.05 -2.58 -0.23 0.00 0.12 0.00 0.00 56.93 54.28 1ci5 s PHE 15 Cb -0.08 -3.24 -0.07 0.00 -0.57 0.00 0.00 43.02 39.07 1ci5 s PHE 15 CO 0.01 -0.89 1.26 -1.01 -0.10 0.00 0.00 175.22 174.50 1ci5 s HIS 16 N 0.31 2.65 -0.12 0.36 3.76 -1.26 -2.26 115.29 118.72 1ci5 s HIS 16 Ca 0.14 1.45 0.02 0.00 -0.15 0.00 0.00 55.06 56.52 1ci5 s HIS 16 Cb -0.21 -3.59 0.02 0.00 1.11 0.00 0.00 32.58 29.91 1ci5 s HIS 16 CO -0.04 -2.13 -0.16 0.08 -0.85 0.00 0.00 174.74 171.64 1ci5 s VAL 17 N -1.40 1.61 -0.89 -0.90 1.01 -1.26 -4.96 120.40 113.61 1ci5 s VAL 17 Ca 0.65 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 1ci5 s VAL 17 Cb -0.35 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 1ci5 s VAL 17 CO 0.42 0.46 2.05 -0.81 0.00 0.00 0.00 175.10 177.22 1ci5 n PRO 18 N 4.31 1.90 -3.48 2.72 -0.04 -1.26 -4.64 135.00 134.50 1ci5 n PRO 18 Ca -0.19 -1.66 -0.27 0.00 -0.04 0.00 0.00 63.50 61.34 1ci5 n PRO 18 Cb 0.51 -2.67 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ci5 s SER 19 N 4.02 2.04 0.50 3.54 0.15 -1.26 -4.96 113.70 117.73 1ci5 s SER 19 Ca 0.47 -3.20 0.21 0.00 0.70 0.00 0.00 55.95 54.12 1ci5 s SER 19 Cb 0.12 -0.65 1.28 0.00 -1.71 0.00 0.00 66.02 65.06 1ci5 s SER 19 CO 0.02 -0.16 2.02 -0.55 1.20 0.00 0.00 173.24 175.78 1ci5 h ASN 20 N 5.60 0.09 -3.71 5.45 -1.07 -1.93 -3.41 115.58 116.61 1ci5 h ASN 20 Ca 0.25 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 56.10 1ci5 h ASN 20 Cb 0.88 -0.02 0.04 0.00 -2.07 0.00 0.00 38.32 37.16 1ci5 h ASN 20 CO 0.43 0.06 0.60 -1.10 0.07 0.00 0.00 177.43 177.49 1ci5 s GLN 21 N -5.12 4.44 -0.18 4.14 -0.21 -1.26 -4.91 119.66 116.56 1ci5 s GLN 21 Ca -0.06 2.06 -0.34 0.00 0.02 0.00 0.00 55.36 57.04 1ci5 s GLN 21 Cb 0.19 -3.14 -0.11 0.00 1.00 0.00 0.00 33.01 30.95 1ci5 s GLN 21 CO 0.73 -0.10 1.99 -2.30 -2.12 0.00 0.00 175.29 173.48 1ci5 n PRO 22 N 1.46 1.83 -2.95 2.91 -0.02 -1.26 -4.79 135.00 132.19 1ci5 n PRO 22 Ca 0.02 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 1ci5 n PRO 22 Cb 0.43 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 1ci5 n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ci5 s LEU 23 N 5.35 4.20 0.13 2.45 1.43 -1.09 -4.90 118.68 126.25 1ci5 s LEU 23 Ca 0.98 0.02 0.13 0.00 -1.03 0.00 0.00 54.13 54.23 1ci5 s LEU 23 Cb -0.71 -3.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 1ci5 s LEU 23 CO 0.50 -0.89 1.10 0.50 0.23 0.00 0.00 176.35 177.79 1ci5 h LYS 24 N 8.88 0.00 -4.12 1.70 3.64 -1.92 -3.44 116.57 121.30 1ci5 h LYS 24 Ca -0.25 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.60 1ci5 h LYS 24 Cb 1.09 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.53 1ci5 h LYS 24 CO 0.96 0.55 -0.79 -1.21 -2.27 0.00 0.00 179.45 176.69 1ci5 s GLU 25 N -2.83 1.37 -0.04 1.90 2.02 -1.26 -3.54 118.70 116.31 1ci5 s GLU 25 Ca -0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 1ci5 s GLU 25 Cb 0.09 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.52 1ci5 s GLU 25 CO 0.80 -0.39 0.02 0.54 0.02 0.00 0.00 175.26 176.25 1ci5 s VAL 26 N 1.69 0.16 -0.23 2.63 0.11 -0.90 -4.07 120.40 119.78 1ci5 s VAL 26 Ca 0.02 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 1ci5 s VAL 26 Cb -0.14 -0.32 0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1ci5 s VAL 26 CO -0.08 0.19 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.56 1ci5 s LEU 27 N 1.62 2.82 -0.06 2.54 2.96 0.44 0.12 118.68 129.12 1ci5 s LEU 27 Ca -0.01 -1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 52.60 1ci5 s LEU 27 Cb -0.13 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1ci5 s LEU 27 CO -0.03 -0.17 0.39 0.26 -1.32 0.00 0.00 176.35 175.48 1ci5 s TRP 28 N 1.26 3.62 0.16 5.38 0.52 0.22 0.17 118.94 130.28 1ci5 s TRP 28 Ca -0.05 0.88 0.08 0.00 0.02 0.00 0.00 56.10 57.03 1ci5 s TRP 28 Cb -0.18 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.75 1ci5 s TRP 28 CO -0.07 0.45 -0.17 0.21 0.02 0.00 0.00 176.95 177.40 1ci5 s LYS 29 N -0.37 1.23 -0.23 4.98 2.47 0.32 -0.32 119.74 127.83 1ci5 s LYS 29 Ca 0.23 -1.40 -0.04 0.00 -1.56 0.00 0.00 55.97 53.20 1ci5 s LYS 29 Cb -0.15 -1.23 0.09 0.00 -1.46 0.00 0.00 37.83 35.08 1ci5 s LYS 29 CO 0.10 0.24 0.14 0.21 0.16 0.00 0.00 175.35 176.21 1ci5 s LYS 30 N -2.87 0.15 6.47 4.03 2.20 0.39 0.22 119.74 130.33 1ci5 s LYS 30 Ca 0.15 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1ci5 s LYS 30 Cb -0.05 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 1ci5 s LYS 30 CO 0.06 -0.84 0.00 0.94 -0.36 0.00 0.00 175.35 175.15 1ci5 n GLN 31 N 5.28 0.00 -0.81 4.03 7.27 -1.25 -2.19 117.38 129.71 1ci5 n GLN 31 Ca -0.06 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.94 1ci5 n GLN 31 Cb 0.46 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.32 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1ci5 n LYS 32 N 13.23 2.87 -4.07 3.69 4.01 -1.26 -4.90 118.16 131.74 1ci5 n LYS 32 Ca 0.00 -2.31 -0.11 0.00 -0.51 0.00 0.00 58.31 55.38 1ci5 n LYS 32 Cb 0.00 -1.97 -0.11 0.00 -0.51 0.00 0.00 35.03 32.44 1ci5 n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ci5 s ASP 33 N -0.66 0.77 0.20 4.39 1.01 -0.93 -5.15 116.67 116.30 1ci5 s ASP 33 Ca 0.42 -0.64 -0.17 0.00 0.71 0.00 0.00 52.55 52.87 1ci5 s ASP 33 Cb 0.34 0.07 -0.08 0.00 1.01 0.00 0.00 42.92 44.26 1ci5 s ASP 33 CO 0.10 -0.29 0.66 -0.54 0.21 0.00 0.00 175.17 175.31 1ci5 s LYS 34 N -2.07 4.12 -0.01 8.23 1.02 -1.26 -0.46 119.74 129.31 1ci5 s LYS 34 Ca -0.07 0.70 -0.01 0.00 0.02 0.00 0.00 55.97 56.61 1ci5 s LYS 34 Cb -0.06 -2.86 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1ci5 s LYS 34 CO -0.01 0.41 -0.02 0.28 -0.92 0.00 0.00 175.35 175.08 1ci5 n VAL 35 N 0.66 0.10 -4.15 3.17 0.31 0.57 -4.56 118.33 114.43 1ci5 n VAL 35 Ca -0.03 0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 64.64 1ci5 n VAL 35 Cb 0.51 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 31.84 1ci5 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ci5 s ALA 36 N -2.90 0.85 -0.13 3.52 0.00 -0.89 -0.69 121.76 121.53 1ci5 s ALA 36 Ca -0.02 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1ci5 s ALA 36 Cb 0.00 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1ci5 s ALA 36 CO 0.03 -0.31 0.33 -2.00 0.00 0.00 0.00 175.76 173.81 1ci5 s GLU 37 N -3.89 0.38 -0.00 0.00 2.12 0.23 0.72 118.70 118.26 1ci5 s GLU 37 Ca 0.13 0.49 0.06 0.00 0.36 0.00 0.00 54.97 56.01 1ci5 s GLU 37 Cb 0.06 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 1ci5 s GLU 37 CO -0.05 -0.06 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.24 1ci5 s LEU 38 N 0.33 2.06 -0.29 2.70 2.96 0.33 -1.42 118.68 125.35 1ci5 s LEU 38 Ca -0.01 -0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 53.35 1ci5 s LEU 38 Cb -0.03 -1.00 0.14 0.00 0.50 0.00 0.00 46.19 45.81 1ci5 s LEU 38 CO -0.01 0.22 0.98 -1.83 -1.32 0.00 0.00 176.35 174.39 1ci5 s GLU 39 N -0.60 0.38 -1.17 1.98 -1.05 -0.63 -2.12 118.70 115.49 1ci5 s GLU 39 Ca 0.07 0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 55.51 1ci5 s GLU 39 Cb -0.08 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.67 1ci5 s GLU 39 CO -0.00 -0.08 0.89 -1.71 0.95 0.00 0.00 175.26 175.31 1ci5 n ASN 40 N 3.63 -3.62 -2.47 0.83 5.15 -1.24 -1.68 115.26 115.86 1ci5 n ASN 40 Ca -0.18 -0.73 -0.10 0.00 -0.60 0.00 0.00 54.58 52.96 1ci5 n ASN 40 Cb 0.58 -4.76 -0.00 0.00 -0.53 0.00 0.00 39.78 35.06 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ci5 n SER 41 N -3.10 -3.38 -3.82 1.20 3.41 -1.26 -4.91 113.62 101.75 1ci5 n SER 41 Ca -0.20 0.24 -0.29 0.00 -0.26 0.00 0.00 58.87 58.36 1ci5 n SER 41 Cb 0.65 -2.90 -0.16 0.00 -0.26 0.00 0.00 64.21 61.54 1ci5 n SER 41 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ci5 s GLU 42 N -5.04 1.03 0.14 4.33 -6.30 -0.68 -5.13 118.70 107.06 1ci5 s GLU 42 Ca 0.01 -0.81 -0.01 0.00 -2.50 0.00 0.00 54.97 51.65 1ci5 s GLU 42 Cb -0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 34.13 31.79 1ci5 s GLU 42 CO 0.01 -0.71 0.33 0.12 0.02 0.00 0.00 175.26 175.02 1ci5 s PHE 43 N 1.61 3.49 -0.26 5.30 5.36 -1.26 -1.61 117.98 130.61 1ci5 s PHE 43 Ca 0.00 0.35 -0.26 0.00 -0.96 0.00 0.00 56.93 56.06 1ci5 s PHE 43 Cb -0.18 -1.85 0.13 0.00 -0.34 0.00 0.00 43.02 40.78 1ci5 s PHE 43 CO -0.11 0.47 1.05 0.50 -1.46 0.00 0.00 175.22 175.66 1ci5 s ARG 44 N -2.90 0.50 0.30 10.12 6.06 -0.51 -5.01 118.95 127.52 1ci5 s ARG 44 Ca 0.38 0.47 0.08 0.00 -2.50 0.00 0.00 55.73 54.16 1ci5 s ARG 44 Cb -0.12 0.24 -0.04 0.00 0.06 0.00 0.00 34.95 35.09 1ci5 s ARG 44 CO 0.27 -0.08 0.15 0.00 -2.50 0.00 0.00 175.30 173.14 1ci5 s ALA 45 N -0.06 3.50 0.21 6.12 0.00 -1.26 -0.60 121.76 129.67 1ci5 s ALA 45 Ca 0.02 -1.66 0.06 0.00 0.00 0.00 0.00 51.96 50.38 1ci5 s ALA 45 Cb -0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1ci5 s ALA 45 CO -0.05 0.13 0.20 -0.06 0.00 0.00 0.00 175.76 175.98 1ci5 s PHE 46 N -2.32 3.19 0.00 0.00 0.08 0.13 -4.59 117.98 114.48 1ci5 s PHE 46 Ca 0.36 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.35 1ci5 s PHE 46 Cb -0.05 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1ci5 s PHE 46 CO 0.23 0.51 0.00 0.43 -0.10 0.00 0.00 175.22 176.29 1ci5 n SER 47 N -0.89 0.00 -1.79 1.36 7.64 -1.26 -2.35 113.62 116.32 1ci5 n SER 47 Ca -0.08 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.64 1ci5 n SER 47 Cb 0.56 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.87 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ci5 n SER 48 N -2.77 3.72 -0.02 6.43 3.41 -1.26 -4.11 113.62 119.01 1ci5 n SER 48 Ca 0.00 -3.03 -0.10 0.00 -0.26 0.00 0.00 58.87 55.48 1ci5 n SER 48 Cb 0.00 -0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 63.07 1ci5 n SER 48 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ci5 n PHE 49 N -0.50 0.99 -0.25 7.33 3.72 -0.99 -4.11 117.46 123.66 1ci5 n PHE 49 Ca 0.38 0.34 0.20 0.00 -0.05 0.00 0.00 57.45 58.32 1ci5 n PHE 49 Cb 1.19 -1.18 0.52 0.00 -0.94 0.00 0.00 39.48 39.07 1ci5 n PHE 49 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1ci5 h LYS 50 N 0.01 0.39 -0.01 -1.08 2.10 -1.71 0.70 116.57 116.97 1ci5 h LYS 50 Ca -0.31 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1ci5 h LYS 50 Cb 2.02 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.27 1ci5 h LYS 50 CO 0.08 0.26 -0.16 0.09 -2.00 0.00 0.00 179.45 177.71 1ci5 n ASN 51 N -4.51 0.75 -0.30 7.07 5.03 -1.26 -3.76 115.26 118.27 1ci5 n ASN 51 Ca 0.20 -0.76 0.06 0.00 0.87 0.00 0.00 54.58 54.94 1ci5 n ASN 51 Cb 0.72 0.02 0.09 0.00 -1.02 0.00 0.00 39.78 39.58 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ci5 n ARG 52 N -0.76 0.77 -4.19 3.52 5.12 0.21 -4.97 116.66 116.35 1ci5 n ARG 52 Ca 0.14 -2.00 -0.15 0.00 -1.93 0.00 0.00 57.85 53.91 1ci5 n ARG 52 Cb 0.31 -1.08 -0.11 0.00 -1.16 0.00 0.00 32.46 30.42 1ci5 n ARG 52 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1ci5 s VAL 53 N -1.72 1.00 -0.45 1.55 -7.23 0.10 0.10 120.40 113.75 1ci5 s VAL 53 Ca 0.20 -1.69 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1ci5 s VAL 53 Cb 0.18 -1.43 0.18 0.00 0.56 0.00 0.00 36.38 35.88 1ci5 s VAL 53 CO 0.01 -0.57 0.49 0.00 -0.31 0.00 0.00 175.10 174.72 1ci5 n TYR 54 N 0.48 -1.97 -2.40 2.82 9.36 0.32 -4.89 117.16 120.87 1ci5 n TYR 54 Ca -0.15 -2.61 -0.42 0.00 3.32 0.00 0.00 57.90 58.03 1ci5 n TYR 54 Cb 0.58 0.69 -0.03 0.00 -0.63 0.00 0.00 39.34 39.95 1ci5 n TYR 54 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1ci5 s LEU 55 N 0.27 4.39 0.59 2.98 2.96 -1.26 -1.47 118.68 127.13 1ci5 s LEU 55 Ca 0.32 2.08 -0.16 0.00 -0.22 0.00 0.00 54.13 56.15 1ci5 s LEU 55 Cb 0.04 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1ci5 s LEU 55 CO -0.15 -0.45 1.06 -0.62 -1.32 0.00 0.00 176.35 174.87 1ci5 s ASP 56 N 0.81 5.82 -0.60 3.68 -1.08 0.30 -4.95 116.67 120.66 1ci5 s ASP 56 Ca 0.57 1.82 0.02 0.00 -0.52 0.00 0.00 52.55 54.44 1ci5 s ASP 56 Cb -0.31 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.03 1ci5 s ASP 56 CO 0.31 -1.14 1.60 1.07 0.52 0.00 0.00 175.17 177.53 1ci5 n THR 57 N -1.97 3.03 0.00 1.71 5.66 -1.26 -4.07 114.28 117.39 1ci5 n THR 57 Ca 0.09 -4.30 0.00 0.00 -3.05 0.00 0.00 64.05 56.79 1ci5 n THR 57 Cb 0.53 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 1ci5 n THR 57 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ci5 n LYS 58 N -0.60 0.00 -0.28 1.09 0.00 -1.26 -4.93 118.16 112.18 1ci5 n LYS 58 Ca 0.49 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.89 1ci5 n LYS 58 Cb 0.55 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.83 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ci5 n SER 59 N -2.25 3.51 0.00 3.14 7.64 -1.26 -2.66 113.62 121.74 1ci5 n SER 59 Ca 0.00 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1ci5 n SER 59 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1ci5 n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ci5 n GLY 60 N 1.21 0.79 3.65 0.23 0.00 -1.26 -4.47 105.19 105.35 1ci5 n GLY 60 Ca 0.19 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.73 1ci5 n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ci5 n SER 61 N -0.02 2.81 -4.73 1.61 3.41 -1.26 -4.59 113.62 110.84 1ci5 n SER 61 Ca 0.00 1.08 -0.35 0.00 -0.26 0.00 0.00 58.87 59.33 1ci5 n SER 61 Cb 0.01 -1.36 -0.08 0.00 -0.26 0.00 0.00 64.21 62.51 1ci5 n SER 61 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ci5 s LEU 62 N 1.20 3.97 -0.27 1.04 2.96 -0.96 0.11 118.68 126.73 1ci5 s LEU 62 Ca 0.82 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 1ci5 s LEU 62 Cb -0.75 -1.97 0.07 0.00 0.50 0.00 0.00 46.19 44.05 1ci5 s LEU 62 CO 0.42 0.31 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.85 1ci5 s THR 63 N -0.43 1.71 0.56 3.68 2.01 -0.54 0.18 115.64 122.80 1ci5 s THR 63 Ca 0.10 -1.57 -0.15 0.00 0.31 0.00 0.00 61.69 60.39 1ci5 s THR 63 Cb -0.12 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.28 1ci5 s THR 63 CO 0.02 -0.29 1.01 -0.63 -0.69 0.00 0.00 174.62 174.04 1ci5 s ILE 64 N 1.27 4.50 0.05 1.82 1.01 0.22 0.12 121.20 130.18 1ci5 s ILE 64 Ca -0.00 1.06 0.04 0.00 0.00 0.00 0.00 60.65 61.75 1ci5 s ILE 64 Cb -0.19 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1ci5 s ILE 64 CO -0.09 -0.82 -0.13 -0.31 0.00 0.00 0.00 174.94 173.59 1ci5 s TYR 65 N -2.80 1.10 -0.39 3.97 1.51 0.28 -2.45 117.35 118.59 1ci5 s TYR 65 Ca 0.58 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 56.03 1ci5 s TYR 65 Cb -0.11 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1ci5 s TYR 65 CO 0.40 0.03 0.49 -1.71 -1.11 0.00 0.00 175.55 173.64 1ci5 n ASN 66 N 1.58 -7.19 -4.90 2.29 2.85 -0.58 -4.71 115.26 104.59 1ci5 n ASN 66 Ca -0.20 0.46 -0.28 0.00 -0.11 0.00 0.00 54.58 54.45 1ci5 n ASN 66 Cb 0.55 -4.07 0.02 0.00 1.24 0.00 0.00 39.78 37.51 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1ci5 s LEU 67 N -2.31 3.29 0.00 1.20 1.43 -1.20 -4.76 118.68 116.33 1ci5 s LEU 67 Ca 0.23 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1ci5 s LEU 67 Cb -0.05 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.26 1ci5 s LEU 67 CO 0.74 -0.93 0.00 0.35 0.23 0.00 0.00 176.35 176.74 1ci5 n THR 68 N -2.60 0.00 0.22 5.49 -2.24 -1.26 -2.27 114.28 111.62 1ci5 n THR 68 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1ci5 n THR 68 Cb 0.56 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 69.02 1ci5 n THR 68 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ci5 h SER 69 N 0.00 0.00 1.50 3.42 0.87 -1.99 -3.06 113.55 114.29 1ci5 h SER 69 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1ci5 h SER 69 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ci5 h SER 69 CO 0.00 0.06 -0.51 -1.28 -0.53 0.00 0.00 176.83 174.57 1ci5 h SER 70 N 0.00 0.00 0.52 6.23 0.87 -2.00 -3.22 113.55 115.95 1ci5 h SER 70 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ci5 h SER 70 Cb 0.97 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1ci5 h SER 70 CO 0.01 0.24 -0.03 0.44 -0.53 0.00 0.00 176.83 176.95 1ci5 h ASP 71 N 0.00 0.00 -0.10 6.23 5.19 -1.92 -3.35 116.42 122.47 1ci5 h ASP 71 Ca -0.02 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.78 1ci5 h ASP 71 Cb 1.20 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.73 1ci5 h ASP 71 CO 0.03 0.03 2.17 1.21 -3.12 0.00 0.00 179.24 179.56 1ci5 n GLU 72 N -3.22 1.66 -3.99 3.56 0.00 -1.22 -4.69 120.64 112.74 1ci5 n GLU 72 Ca -0.01 -2.04 -0.10 0.00 0.00 0.00 0.00 57.16 55.02 1ci5 n GLU 72 Cb 0.21 -3.09 -0.07 0.00 0.00 0.00 0.00 31.44 28.49 1ci5 n GLU 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1ci5 s ASP 73 N 5.08 0.09 -0.19 4.31 1.01 -0.94 -4.89 116.67 121.14 1ci5 s ASP 73 Ca 0.58 -0.92 -0.26 0.00 0.71 0.00 0.00 52.55 52.66 1ci5 s ASP 73 Cb 0.12 0.41 -0.01 0.00 1.01 0.00 0.00 42.92 44.45 1ci5 s ASP 73 CO 0.11 -0.86 0.87 -0.70 0.21 0.00 0.00 175.17 174.79 1ci5 s GLU 74 N -3.98 4.28 0.16 8.23 2.56 -1.26 -1.86 118.70 126.82 1ci5 s GLU 74 Ca 0.18 1.06 -0.02 0.00 0.00 0.00 0.00 54.97 56.19 1ci5 s GLU 74 Cb 0.04 -3.59 -0.05 0.00 2.00 0.00 0.00 34.13 32.53 1ci5 s GLU 74 CO -0.00 -0.40 0.36 0.71 -0.56 0.00 0.00 175.26 175.37 1ci5 s TYR 75 N 2.39 3.48 -0.07 5.30 1.51 0.29 -3.75 117.35 126.50 1ci5 s TYR 75 Ca 0.39 0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.84 1ci5 s TYR 75 Cb -0.16 -1.90 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1ci5 s TYR 75 CO 0.11 0.43 -0.00 -1.21 -1.11 0.00 0.00 175.55 173.77 1ci5 s GLU 76 N -2.95 0.61 -0.12 -0.62 2.02 0.13 -1.39 118.70 116.39 1ci5 s GLU 76 Ca 0.39 0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.43 1ci5 s GLU 76 Cb -0.12 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 1ci5 s GLU 76 CO 0.27 -0.28 0.03 1.41 0.02 0.00 0.00 175.26 176.71 1ci5 s MET 77 N 1.88 3.38 -0.15 1.61 1.75 -0.50 0.12 119.30 127.39 1ci5 s MET 77 Ca 0.04 -0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 54.08 1ci5 s MET 77 Cb -0.12 -2.96 -0.03 0.00 2.84 0.00 0.00 34.83 34.55 1ci5 s MET 77 CO -0.05 0.55 -0.04 -1.21 -0.65 0.00 0.00 175.02 173.62 1ci5 s GLU 78 N -0.44 3.57 -0.09 4.11 0.41 0.44 -0.27 118.70 126.44 1ci5 s GLU 78 Ca 0.09 -0.52 -0.07 0.00 -0.41 0.00 0.00 54.97 54.06 1ci5 s GLU 78 Cb -0.12 -2.88 0.03 0.00 -1.78 0.00 0.00 34.13 29.37 1ci5 s GLU 78 CO 0.02 0.30 0.23 0.45 -0.49 0.00 0.00 175.26 175.77 1ci5 s SER 79 N 0.21 -0.24 0.20 -0.19 0.15 -1.26 -0.42 113.70 112.15 1ci5 s SER 79 Ca -0.02 0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.98 1ci5 s SER 79 Cb -0.14 0.43 0.16 0.00 -1.71 0.00 0.00 66.02 64.76 1ci5 s SER 79 CO 0.03 -0.10 1.84 -0.65 1.20 0.00 0.00 173.24 175.55 1ci5 h PRO 80 N 6.23 0.77 -0.44 5.44 0.11 -1.96 -2.52 132.00 139.63 1ci5 h PRO 80 Ca -0.30 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.62 1ci5 h PRO 80 Cb 1.18 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1ci5 h PRO 80 CO 0.37 0.51 -0.25 -0.97 -0.21 0.00 0.00 178.00 177.45 1ci5 h ASN 81 N 0.80 0.99 -3.78 -2.05 -0.00 -1.97 -3.44 115.58 106.13 1ci5 h ASN 81 Ca 0.26 -0.41 -0.57 0.00 -0.00 0.00 0.00 56.30 55.58 1ci5 h ASN 81 Cb 0.00 -0.27 0.16 0.00 -0.00 0.00 0.00 38.32 38.21 1ci5 h ASN 81 CO -0.10 1.19 0.29 -0.38 -0.00 0.00 0.00 177.43 178.44 1ci5 n ILE 82 N -4.13 4.10 0.03 2.57 5.41 -0.95 -4.93 119.36 121.48 1ci5 n ILE 82 Ca -0.01 -0.50 -0.15 0.00 1.00 0.00 0.00 62.75 63.09 1ci5 n ILE 82 Cb 0.47 -1.31 -0.05 0.00 -0.71 0.00 0.00 39.64 38.05 1ci5 n ILE 82 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1ci5 h THR 83 N 0.60 1.33 0.00 1.39 2.02 -1.86 -3.46 112.91 112.94 1ci5 h THR 83 Ca -0.49 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.48 1ci5 h THR 83 Cb 1.35 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1ci5 h THR 83 CO 0.52 0.68 0.00 0.47 0.37 0.00 0.00 175.52 177.56 1ci5 n ASP 84 N -3.84 0.00 -3.59 4.18 8.00 -1.26 -5.12 116.55 114.91 1ci5 n ASP 84 Ca -0.07 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.37 1ci5 n ASP 84 Cb 0.80 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ci5 s SER 85 N 1.00 -0.27 -0.82 -2.24 1.04 -1.26 -4.50 113.70 106.65 1ci5 s SER 85 Ca 0.00 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 1ci5 s SER 85 Cb 0.00 0.39 0.19 0.00 0.10 0.00 0.00 66.02 66.70 1ci5 s SER 85 CO 0.00 -0.67 0.82 -0.32 0.98 0.00 0.00 173.24 174.05 1ci5 s MET 86 N -3.09 3.53 -1.11 4.02 1.75 0.63 -4.82 119.30 120.21 1ci5 s MET 86 Ca 0.08 -2.21 -0.15 0.00 -1.25 0.00 0.00 55.69 52.16 1ci5 s MET 86 Cb -0.01 -4.51 0.16 0.00 2.84 0.00 0.00 34.83 33.31 1ci5 s MET 86 CO -0.05 -1.41 1.32 0.15 -0.65 0.00 0.00 175.02 174.38 1ci5 s LYS 87 N 0.91 3.93 -0.21 4.11 3.01 -1.25 -1.41 119.74 128.82 1ci5 s LYS 87 Ca 0.20 -2.33 -0.09 0.00 -1.01 0.00 0.00 55.97 52.74 1ci5 s LYS 87 Cb -0.11 -5.00 -0.04 0.00 -1.01 0.00 0.00 37.83 31.67 1ci5 s LYS 87 CO -0.07 -1.75 0.11 -0.06 0.51 0.00 0.00 175.35 174.08 1ci5 s PHE 88 N 1.85 3.28 -0.13 3.18 0.40 -0.48 -3.20 117.98 122.88 1ci5 s PHE 88 Ca 0.39 0.12 -0.22 0.00 -0.60 0.00 0.00 56.93 56.62 1ci5 s PHE 88 Cb -0.04 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1ci5 s PHE 88 CO -0.03 0.09 0.64 0.12 0.70 0.00 0.00 175.22 176.74 1ci5 s PHE 89 N 0.74 3.48 -0.13 0.36 2.19 0.17 -0.55 117.98 124.25 1ci5 s PHE 89 Ca 0.06 1.06 -0.04 0.00 0.33 0.00 0.00 56.93 58.34 1ci5 s PHE 89 Cb -0.13 -2.77 -0.03 0.00 -1.31 0.00 0.00 43.02 38.78 1ci5 s PHE 89 CO 0.02 -0.01 0.00 -1.17 1.83 0.00 0.00 175.22 175.89 1ci5 s LEU 90 N 1.25 3.53 -0.16 6.12 2.96 -0.78 0.13 118.68 131.73 1ci5 s LEU 90 Ca 0.32 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1ci5 s LEU 90 Cb -0.16 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1ci5 s LEU 90 CO 0.13 0.26 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.93 1ci5 s TYR 91 N -0.14 2.53 -0.17 5.38 1.51 -0.44 -2.21 117.35 123.81 1ci5 s TYR 91 Ca 0.05 -1.42 -0.15 0.00 -1.01 0.00 0.00 57.07 54.53 1ci5 s TYR 91 Cb -0.13 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1ci5 s TYR 91 CO 0.02 -0.71 0.36 0.08 -1.11 0.00 0.00 175.55 174.19 1ci5 s VAL 92 N 1.23 5.24 0.43 0.71 1.01 -1.26 0.28 120.40 128.05 1ci5 s VAL 92 Ca 0.02 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1ci5 s VAL 92 Cb -0.14 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ci5 s VAL 92 CO -0.09 0.32 0.06 -0.83 0.00 0.00 0.00 175.10 174.55 1ci5 s GLY 93 N 0.74 2.67 -0.07 4.51 0.00 0.11 -4.92 107.32 110.36 1ci5 s GLY 93 Ca 0.19 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1ci5 s GLY 93 CO 0.07 -2.00 0.55 0.83 0.00 0.00 0.00 173.10 172.55 1ci5 h GLU 94 N 1.67 0.26 0.00 2.90 5.08 -1.95 0.31 114.58 122.85 1ci5 h GLU 94 Ca -0.40 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 1ci5 h GLU 94 Cb 1.28 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1ci5 h GLU 94 CO 0.68 1.13 0.00 -1.13 -1.00 0.00 0.00 179.01 178.69