#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 1.62 -4.29 6.43 3.41 -1.26 -5.09 113.62 114.44 1ci5 n SER 2 Ca 0.00 -1.51 -0.41 0.00 -0.26 0.00 0.00 58.87 56.69 1ci5 n SER 2 Cb 0.00 0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.57 2.67 0.20 4.33 2.00 -1.01 -4.93 119.66 120.35 1ci5 s GLN 3 Ca 0.07 -1.46 -0.25 0.00 -2.00 0.00 0.00 55.36 51.72 1ci5 s GLN 3 Cb -0.01 -3.85 -0.08 0.00 0.80 0.00 0.00 33.01 29.87 1ci5 s GLN 3 CO 0.04 -0.98 0.81 1.14 -0.50 0.00 0.00 175.29 175.80 1ci5 s GLN 4 N 1.46 4.57 0.16 1.67 -2.07 -1.26 -0.01 119.66 124.19 1ci5 s GLN 4 Ca 0.03 1.19 0.10 0.00 -1.82 0.00 0.00 55.36 54.86 1ci5 s GLN 4 Cb -0.23 -3.17 -0.04 0.00 -1.09 0.00 0.00 33.01 28.48 1ci5 s GLN 4 CO 0.03 0.51 -0.22 0.42 -1.32 0.00 0.00 175.29 174.71 1ci5 s ILE 5 N -1.25 2.07 -0.28 3.63 -1.09 0.38 -4.87 121.20 119.79 1ci5 s ILE 5 Ca 0.39 -1.89 -0.08 0.00 -2.23 0.00 0.00 60.65 56.84 1ci5 s ILE 5 Cb -0.22 -1.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 1ci5 s ILE 5 CO 0.26 -0.15 0.11 -0.31 -1.23 0.00 0.00 174.94 173.63 1ci5 s TYR 6 N -1.64 3.13 0.41 3.97 2.02 -1.26 -1.49 117.35 122.49 1ci5 s TYR 6 Ca 0.16 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 1ci5 s TYR 6 Cb -0.08 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 1ci5 s TYR 6 CO 0.07 -0.38 0.08 0.20 -1.57 0.00 0.00 175.55 173.95 1ci5 s GLY 7 N 1.62 2.54 -0.10 0.71 0.00 0.17 -4.94 107.32 107.32 1ci5 s GLY 7 Ca 0.06 -1.36 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 1ci5 s GLY 7 CO 0.05 -1.91 0.27 -1.34 0.00 0.00 0.00 173.10 170.18 1ci5 s VAL 8 N -3.15 -0.00 0.22 1.40 -7.23 -1.26 -0.63 120.40 109.75 1ci5 s VAL 8 Ca 0.24 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 1ci5 s VAL 8 Cb 0.04 -0.39 -0.16 0.00 0.56 0.00 0.00 36.38 36.44 1ci5 s VAL 8 CO 0.13 0.00 0.95 1.17 -0.31 0.00 0.00 175.10 177.04 1ci5 n LYS 9 N 2.95 0.90 -1.76 4.82 4.81 0.34 0.28 118.16 130.50 1ci5 n LYS 9 Ca -0.13 0.32 -0.20 0.00 -0.87 0.00 0.00 58.31 57.43 1ci5 n LYS 9 Cb 0.58 -1.65 -0.07 0.00 0.02 0.00 0.00 35.03 33.91 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ci5 n TYR 10 N 0.65 -0.23 -4.03 5.64 4.02 0.03 -4.74 117.16 118.51 1ci5 n TYR 10 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.93 1ci5 n TYR 10 Cb 0.27 -3.42 -0.01 0.00 -0.02 0.00 0.00 39.34 36.15 1ci5 n TYR 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ci5 n GLY 11 N -0.67 3.60 3.40 2.72 0.00 0.14 -4.61 105.19 109.78 1ci5 n GLY 11 Ca -0.21 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.33 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 -2.00 3.21 -0.01 1.61 0.01 -1.26 -0.49 114.94 116.01 1ci5 s ASN 12 Ca 0.04 -0.91 -0.29 0.00 -0.71 0.00 0.00 52.86 50.98 1ci5 s ASN 12 Cb -0.00 -0.23 0.07 0.00 0.41 0.00 0.00 41.25 41.50 1ci5 s ASN 12 CO 0.02 0.04 0.66 0.68 -1.51 0.00 0.00 177.10 177.00 1ci5 s VAL 13 N -2.03 0.00 0.04 1.60 -7.23 -0.99 -4.75 120.40 107.04 1ci5 s VAL 13 Ca 0.21 -0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.45 1ci5 s VAL 13 Cb -0.06 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 1ci5 s VAL 13 CO 0.10 -0.00 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.80 1ci5 s THR 14 N -1.67 1.60 -0.55 5.32 2.01 -1.26 -0.61 115.64 120.48 1ci5 s THR 14 Ca -0.09 -1.18 -0.03 0.00 0.31 0.00 0.00 61.69 60.70 1ci5 s THR 14 Cb -0.00 -1.40 0.14 0.00 0.01 0.00 0.00 72.50 71.25 1ci5 s THR 14 CO 0.06 0.17 0.36 -0.36 -0.69 0.00 0.00 174.62 174.16 1ci5 s PHE 15 N -0.82 3.47 0.48 4.92 0.08 0.43 -4.97 117.98 121.57 1ci5 s PHE 15 Ca 0.07 -2.61 -0.23 0.00 0.12 0.00 0.00 56.93 54.28 1ci5 s PHE 15 Cb -0.09 -3.21 -0.07 0.00 -0.57 0.00 0.00 43.02 39.08 1ci5 s PHE 15 CO 0.02 -0.89 1.24 -1.01 -0.10 0.00 0.00 175.22 174.48 1ci5 s HIS 16 N 0.36 2.69 -0.13 0.36 3.76 -1.26 -2.34 115.29 118.73 1ci5 s HIS 16 Ca 0.14 1.47 0.01 0.00 -0.15 0.00 0.00 55.06 56.53 1ci5 s HIS 16 Cb -0.21 -3.55 0.02 0.00 1.11 0.00 0.00 32.58 29.95 1ci5 s HIS 16 CO -0.04 -2.01 -0.14 0.08 -0.85 0.00 0.00 174.74 171.78 1ci5 s VAL 17 N -1.43 1.51 -0.75 -0.90 1.01 -1.26 -4.97 120.40 113.62 1ci5 s VAL 17 Ca 0.65 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1ci5 s VAL 17 Cb -0.34 -1.41 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 1ci5 s VAL 17 CO 0.41 0.45 1.92 -0.81 0.00 0.00 0.00 175.10 177.07 1ci5 n PRO 18 N 4.55 1.61 -3.64 2.72 -0.04 -1.26 -4.68 135.00 134.25 1ci5 n PRO 18 Ca -0.18 -1.51 -0.29 0.00 -0.04 0.00 0.00 63.50 61.49 1ci5 n PRO 18 Cb 0.50 -2.59 -0.12 0.00 -0.04 0.00 0.00 33.50 31.25 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 4.29 3.21 0.42 3.54 0.15 -1.26 -4.96 113.70 119.10 1ci5 s SER 19 Ca 0.44 -2.93 0.10 0.00 0.70 0.00 0.00 55.95 54.26 1ci5 s SER 19 Cb 0.11 -0.92 0.93 0.00 -1.71 0.00 0.00 66.02 64.43 1ci5 s SER 19 CO 0.04 -0.21 2.03 -0.55 1.20 0.00 0.00 173.24 175.75 1ci5 h ASN 20 N 6.22 0.42 -4.08 5.45 7.08 -1.93 -3.40 115.58 125.34 1ci5 h ASN 20 Ca 0.10 -0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.79 1ci5 h ASN 20 Cb 0.89 -0.10 0.11 0.00 -2.08 0.00 0.00 38.32 37.15 1ci5 h ASN 20 CO 0.47 0.29 0.49 0.00 -2.08 0.00 0.00 177.43 176.60 1ci5 s GLN 21 N -5.44 3.05 -0.28 4.14 0.00 -1.26 -4.91 119.66 114.95 1ci5 s GLN 21 Ca -0.08 1.88 -0.29 0.00 -0.00 0.00 0.00 55.36 56.88 1ci5 s GLN 21 Cb 0.18 -2.01 -0.02 0.00 0.00 0.00 0.00 33.01 31.16 1ci5 s GLN 21 CO 0.74 -1.16 1.80 -1.25 0.00 0.00 0.00 175.29 175.41 1ci5 s PRO 22 N -3.22 3.45 -0.50 9.60 0.04 -1.26 -4.64 135.00 138.47 1ci5 s PRO 22 Ca 0.76 1.57 -0.26 0.00 0.04 0.00 0.00 61.00 63.11 1ci5 s PRO 22 Cb -0.32 -4.17 0.03 0.00 0.04 0.00 0.00 34.50 30.08 1ci5 s PRO 22 CO 0.35 -1.72 0.99 -0.51 0.04 0.00 0.00 177.00 176.16 1ci5 s LEU 23 N 6.54 3.90 0.06 -3.56 1.43 0.46 -4.87 118.68 122.64 1ci5 s LEU 23 Ca 0.80 0.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.07 1ci5 s LEU 23 Cb -0.25 -3.17 -0.20 0.00 0.03 0.00 0.00 46.19 42.61 1ci5 s LEU 23 CO 0.33 -1.17 1.02 0.50 0.23 0.00 0.00 176.35 177.26 1ci5 h LYS 24 N 9.21 0.00 -4.38 1.70 3.64 -1.92 -3.41 116.57 121.42 1ci5 h LYS 24 Ca -0.24 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.61 1ci5 h LYS 24 Cb 1.07 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.54 1ci5 h LYS 24 CO 1.07 0.74 -0.81 -1.21 -2.27 0.00 0.00 179.45 176.97 1ci5 s GLU 25 N -2.69 1.62 -0.10 1.90 8.01 -1.26 -3.86 118.70 122.32 1ci5 s GLU 25 Ca -0.01 -0.33 -0.04 0.00 0.01 0.00 0.00 54.97 54.59 1ci5 s GLU 25 Cb 0.09 -1.52 0.05 0.00 -4.31 0.00 0.00 34.13 28.44 1ci5 s GLU 25 CO 0.82 -0.14 0.21 0.54 0.01 0.00 0.00 175.26 176.70 1ci5 s VAL 26 N 1.24 -0.13 -0.26 2.63 0.11 -0.89 -4.17 120.40 118.93 1ci5 s VAL 26 Ca -0.04 0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 1ci5 s VAL 26 Cb -0.14 -0.35 0.06 0.00 -1.53 0.00 0.00 36.38 34.42 1ci5 s VAL 26 CO -0.03 0.08 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.49 1ci5 s LEU 27 N 1.57 3.40 -0.04 2.54 2.96 0.12 0.11 118.68 129.34 1ci5 s LEU 27 Ca -0.06 -1.37 -0.17 0.00 -0.22 0.00 0.00 54.13 52.31 1ci5 s LEU 27 Cb -0.11 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1ci5 s LEU 27 CO -0.08 -0.18 0.46 0.26 -1.32 0.00 0.00 176.35 175.49 1ci5 s TRP 28 N 1.11 3.64 0.15 5.38 0.52 0.21 0.11 118.94 130.06 1ci5 s TRP 28 Ca -0.09 0.98 0.08 0.00 0.02 0.00 0.00 56.10 57.10 1ci5 s TRP 28 Cb -0.20 -2.43 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 1ci5 s TRP 28 CO -0.05 0.43 -0.19 0.15 0.02 0.00 0.00 176.95 177.31 1ci5 s LYS 29 N -0.33 1.24 -0.26 4.98 -0.14 0.33 -0.04 119.74 125.52 1ci5 s LYS 29 Ca 0.25 -1.36 -0.04 0.00 -1.36 0.00 0.00 55.97 53.47 1ci5 s LYS 29 Cb -0.16 -1.34 0.09 0.00 -1.68 0.00 0.00 37.83 34.73 1ci5 s LYS 29 CO 0.13 0.28 0.10 0.21 -0.76 0.00 0.00 175.35 175.31 1ci5 s LYS 30 N -2.62 0.31 6.49 1.68 2.20 0.58 0.08 119.74 128.44 1ci5 s LYS 30 Ca 0.14 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1ci5 s LYS 30 Cb -0.07 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 1ci5 s LYS 30 CO 0.06 -0.89 0.00 0.94 -0.36 0.00 0.00 175.35 175.10 1ci5 n GLN 31 N 5.16 0.00 -0.65 4.03 7.27 -1.19 -2.18 117.38 129.82 1ci5 n GLN 31 Ca -0.06 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 56.98 1ci5 n GLN 31 Cb 0.44 0.00 0.20 0.00 2.41 0.00 0.00 30.24 33.29 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 13.19 2.83 -4.17 3.69 4.01 -1.26 -4.89 118.16 131.55 1ci5 n LYS 32 Ca 0.00 -1.97 -0.11 0.00 -0.51 0.00 0.00 58.31 55.73 1ci5 n LYS 32 Cb 0.00 -1.90 -0.10 0.00 -0.51 0.00 0.00 35.03 32.52 1ci5 n LYS 32 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1ci5 s ASP 33 N -0.48 1.10 0.06 4.39 2.15 -0.92 -5.15 116.67 117.82 1ci5 s ASP 33 Ca 0.35 -1.02 -0.09 0.00 0.43 0.00 0.00 52.55 52.22 1ci5 s ASP 33 Cb 0.28 0.11 -0.06 0.00 -0.30 0.00 0.00 42.92 42.95 1ci5 s ASP 33 CO 0.09 -0.48 0.37 -0.54 -0.17 0.00 0.00 175.17 174.44 1ci5 s LYS 34 N -3.85 3.73 -0.00 4.34 1.02 -1.26 -0.31 119.74 123.41 1ci5 s LYS 34 Ca 0.13 0.13 -0.00 0.00 0.02 0.00 0.00 55.97 56.25 1ci5 s LYS 34 Cb 0.05 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1ci5 s LYS 34 CO -0.04 0.58 -0.00 0.28 -0.92 0.00 0.00 175.35 175.25 1ci5 n VAL 35 N 0.98 0.02 -4.19 3.17 0.31 0.94 -4.48 118.33 115.07 1ci5 n VAL 35 Ca -0.09 0.47 -0.12 0.00 -0.01 0.00 0.00 64.34 64.59 1ci5 n VAL 35 Cb 0.52 -1.48 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.94 1.10 -0.18 3.52 0.00 -0.89 -0.81 121.76 121.55 1ci5 s ALA 36 Ca -0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 1ci5 s ALA 36 Cb 0.00 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.41 1ci5 s ALA 36 CO 0.01 -0.23 0.41 -2.00 0.00 0.00 0.00 175.76 173.94 1ci5 s GLU 37 N -3.84 0.34 -0.13 0.00 2.12 -0.29 0.66 118.70 117.56 1ci5 s GLU 37 Ca 0.14 0.91 -0.04 0.00 0.36 0.00 0.00 54.97 56.35 1ci5 s GLU 37 Cb 0.05 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1ci5 s GLU 37 CO -0.03 -0.21 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.30 1ci5 s LEU 38 N 2.08 3.44 -0.21 2.70 2.96 0.30 -2.26 118.68 127.68 1ci5 s LEU 38 Ca -0.05 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1ci5 s LEU 38 Cb -0.10 -1.82 0.09 0.00 0.50 0.00 0.00 46.19 44.86 1ci5 s LEU 38 CO -0.13 0.24 0.47 -0.70 -1.32 0.00 0.00 176.35 174.92 1ci5 s GLU 39 N -0.06 0.40 -1.25 1.98 2.12 -0.45 -2.09 118.70 119.33 1ci5 s GLU 39 Ca 0.03 1.07 -0.05 0.00 0.36 0.00 0.00 54.97 56.38 1ci5 s GLU 39 Cb -0.13 0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1ci5 s GLU 39 CO 0.02 -0.22 0.73 -1.71 -0.54 0.00 0.00 175.26 173.54 1ci5 n ASN 40 N 5.14 -2.49 -2.09 -1.70 2.85 -1.25 -0.86 115.26 114.86 1ci5 n ASN 40 Ca -0.12 -0.85 -0.20 0.00 -0.11 0.00 0.00 54.58 53.29 1ci5 n ASN 40 Cb 0.51 -4.01 -0.04 0.00 1.24 0.00 0.00 39.78 37.48 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ci5 n SER 41 N -3.00 -5.60 -4.03 1.20 3.41 -1.26 -4.95 113.62 99.40 1ci5 n SER 41 Ca -0.24 0.19 -0.31 0.00 -0.26 0.00 0.00 58.87 58.25 1ci5 n SER 41 Cb 0.66 -4.77 -0.15 0.00 -0.26 0.00 0.00 64.21 59.69 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 -4.54 1.52 -0.15 4.33 -6.30 -0.04 -5.09 118.70 108.42 1ci5 s GLU 42 Ca 0.00 -1.87 -0.15 0.00 -2.50 0.00 0.00 54.97 50.45 1ci5 s GLU 42 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 34.13 30.86 1ci5 s GLU 42 CO 0.00 -0.94 0.34 0.12 0.02 0.00 0.00 175.26 174.80 1ci5 s PHE 43 N 0.92 3.47 -0.21 5.30 5.36 -1.26 -1.35 117.98 130.20 1ci5 s PHE 43 Ca 0.11 0.67 -0.17 0.00 -0.96 0.00 0.00 56.93 56.57 1ci5 s PHE 43 Cb -0.19 -2.41 0.06 0.00 -0.34 0.00 0.00 43.02 40.14 1ci5 s PHE 43 CO -0.08 0.20 0.56 -0.98 -1.46 0.00 0.00 175.22 173.46 1ci5 s ARG 44 N 0.57 0.62 0.25 10.12 1.04 -0.96 -5.02 118.95 125.58 1ci5 s ARG 44 Ca 0.19 0.85 0.08 0.00 -1.04 0.00 0.00 55.73 55.81 1ci5 s ARG 44 Cb -0.14 0.24 -0.04 0.00 -2.04 0.00 0.00 34.95 32.97 1ci5 s ARG 44 CO 0.06 -0.10 0.05 0.00 -0.04 0.00 0.00 175.30 175.27 1ci5 s ALA 45 N 0.66 3.29 0.00 7.88 0.00 -1.26 -1.13 121.76 131.19 1ci5 s ALA 45 Ca -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1ci5 s ALA 45 Cb -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1ci5 s ALA 45 CO -0.04 0.30 0.00 1.19 0.00 0.00 0.00 175.76 177.20 1ci5 n PHE 46 N -0.86 -0.86 -2.73 0.00 3.01 0.01 -4.35 117.46 111.68 1ci5 n PHE 46 Ca -0.07 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.28 1ci5 n PHE 46 Cb 0.58 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.04 1ci5 n PHE 46 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ci5 n SER 47 N -1.28 -2.55 -1.64 4.37 3.41 -1.26 0.10 113.62 114.78 1ci5 n SER 47 Ca 0.00 0.15 -0.19 0.00 -0.26 0.00 0.00 58.87 58.56 1ci5 n SER 47 Cb 0.00 -2.22 -0.08 0.00 -0.26 0.00 0.00 64.21 61.66 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ci5 n SER 48 N -1.79 -5.15 0.16 4.04 3.41 -1.26 -4.82 113.62 108.20 1ci5 n SER 48 Ca -0.05 0.44 0.04 0.00 -0.26 0.00 0.00 58.87 59.04 1ci5 n SER 48 Cb 0.54 -4.56 0.10 0.00 -0.26 0.00 0.00 64.21 60.04 1ci5 n SER 48 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1ci5 h PHE 49 N 0.00 0.00 -1.22 7.33 0.04 0.37 -3.29 116.94 120.18 1ci5 h PHE 49 Ca -0.40 0.00 0.35 0.00 2.80 0.00 0.00 57.97 60.72 1ci5 h PHE 49 Cb 1.27 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.34 1ci5 h PHE 49 CO 0.55 0.42 0.83 -0.22 -0.60 0.00 0.00 178.31 179.29 1ci5 h LYS 50 N 0.00 0.15 -0.20 1.51 3.11 -1.76 1.67 116.57 121.06 1ci5 h LYS 50 Ca -0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1ci5 h LYS 50 Cb 1.26 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1ci5 h LYS 50 CO 0.06 0.10 0.00 -1.71 -2.81 0.00 0.00 179.45 175.09 1ci5 n ASN 51 N -4.43 1.30 -0.82 4.20 5.15 -1.24 -3.76 115.26 115.67 1ci5 n ASN 51 Ca 0.29 -1.83 -0.00 0.00 -0.60 0.00 0.00 54.58 52.44 1ci5 n ASN 51 Cb 1.21 -0.13 -0.01 0.00 -0.53 0.00 0.00 39.78 40.32 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ci5 n ARG 52 N 0.15 0.00 -4.08 1.20 1.74 0.54 -5.00 116.66 111.22 1ci5 n ARG 52 Ca 0.12 -1.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.09 1ci5 n ARG 52 Cb 0.24 -0.11 -0.11 0.00 -1.02 0.00 0.00 32.46 31.46 1ci5 n ARG 52 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ci5 s VAL 53 N 0.00 0.38 -0.32 1.55 -7.23 0.44 0.11 120.40 115.33 1ci5 s VAL 53 Ca 0.08 -1.45 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1ci5 s VAL 53 Cb 0.10 -1.03 0.13 0.00 0.56 0.00 0.00 36.38 36.14 1ci5 s VAL 53 CO -0.04 -0.70 0.27 -0.47 -0.31 0.00 0.00 175.10 173.85 1ci5 s TYR 54 N -2.65 -0.15 0.14 2.82 5.04 0.32 -4.87 117.35 118.01 1ci5 s TYR 54 Ca -0.02 -0.62 -0.18 0.00 -2.44 0.00 0.00 57.07 53.81 1ci5 s TYR 54 Cb -0.01 -0.58 -0.07 0.00 0.35 0.00 0.00 41.96 41.64 1ci5 s TYR 54 CO -0.04 -0.91 0.62 -1.17 -1.34 0.00 0.00 175.55 172.71 1ci5 s LEU 55 N 1.95 4.43 0.72 6.97 2.96 -1.26 0.70 118.68 135.15 1ci5 s LEU 55 Ca 0.12 1.27 -0.11 0.00 -0.22 0.00 0.00 54.13 55.19 1ci5 s LEU 55 Cb -0.16 -3.21 0.03 0.00 0.50 0.00 0.00 46.19 43.35 1ci5 s LEU 55 CO -0.23 0.16 1.09 -0.62 -1.32 0.00 0.00 176.35 175.43 1ci5 s ASP 56 N -1.43 5.24 -0.27 3.68 2.15 0.20 -4.96 116.67 121.27 1ci5 s ASP 56 Ca 0.36 1.20 0.09 0.00 0.43 0.00 0.00 52.55 54.62 1ci5 s ASP 56 Cb -0.18 -2.00 0.46 0.00 -0.30 0.00 0.00 42.92 40.91 1ci5 s ASP 56 CO 0.20 -1.48 1.33 1.07 -0.17 0.00 0.00 175.17 176.12 1ci5 n THR 57 N -3.11 2.46 0.00 1.71 5.66 -1.26 -4.36 114.28 115.38 1ci5 n THR 57 Ca 0.07 -3.31 0.00 0.00 -3.05 0.00 0.00 64.05 57.76 1ci5 n THR 57 Cb 0.57 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 -1.02 0.00 0.00 1.09 3.00 -1.26 -4.81 118.16 115.16 1ci5 n LYS 58 Ca 0.31 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.76 1ci5 n LYS 58 Cb 0.86 0.00 0.57 0.00 0.00 0.00 0.00 35.03 36.46 1ci5 n LYS 58 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ci5 n SER 59 N -2.10 0.19 0.00 3.14 3.41 -1.26 -0.40 113.62 116.59 1ci5 n SER 59 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ci5 n SER 59 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1ci5 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ci5 n GLY 60 N 1.43 0.91 3.65 5.00 0.00 -1.26 -4.50 105.19 110.42 1ci5 n GLY 60 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.00 2.45 -4.68 1.61 3.41 -1.26 -4.41 113.62 110.74 1ci5 n SER 61 Ca 0.00 1.13 -0.34 0.00 -0.26 0.00 0.00 58.87 59.40 1ci5 n SER 61 Cb 0.00 -1.37 -0.09 0.00 -0.26 0.00 0.00 64.21 62.49 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 0.32 3.54 -0.26 1.04 2.96 -0.99 0.62 118.68 125.91 1ci5 s LEU 62 Ca 0.71 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1ci5 s LEU 62 Cb -0.71 -1.88 0.08 0.00 0.50 0.00 0.00 46.19 44.18 1ci5 s LEU 62 CO 0.49 0.35 0.02 -0.89 -1.32 0.00 0.00 176.35 174.99 1ci5 s THR 63 N -0.95 1.24 0.55 3.68 2.01 0.22 0.16 115.64 122.56 1ci5 s THR 63 Ca 0.15 -1.27 -0.14 0.00 0.31 0.00 0.00 61.69 60.75 1ci5 s THR 63 Cb -0.11 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.62 1ci5 s THR 63 CO 0.05 -0.33 0.99 -0.63 -0.69 0.00 0.00 174.62 174.01 1ci5 s ILE 64 N 1.49 4.63 0.06 1.82 1.01 0.22 0.12 121.20 130.55 1ci5 s ILE 64 Ca 0.01 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.73 1ci5 s ILE 64 Cb -0.18 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1ci5 s ILE 64 CO -0.12 -0.88 -0.13 -0.31 0.00 0.00 0.00 174.94 173.50 1ci5 s TYR 65 N -2.85 1.09 -0.32 3.97 1.51 0.29 -2.34 117.35 118.70 1ci5 s TYR 65 Ca 0.57 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 56.06 1ci5 s TYR 65 Cb -0.10 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1ci5 s TYR 65 CO 0.41 0.02 0.33 0.09 -1.11 0.00 0.00 175.55 175.30 1ci5 n ASN 66 N 1.50 -7.21 -4.92 2.29 3.02 0.36 -4.74 115.26 105.56 1ci5 n ASN 66 Ca -0.21 0.62 -0.26 0.00 -0.03 0.00 0.00 54.58 54.71 1ci5 n ASN 66 Cb 0.54 -3.87 0.01 0.00 -0.61 0.00 0.00 39.78 35.85 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ci5 s LEU 67 N -2.00 3.54 0.00 3.41 1.43 -1.20 -4.65 118.68 119.21 1ci5 s LEU 67 Ca 0.16 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1ci5 s LEU 67 Cb -0.03 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1ci5 s LEU 67 CO 0.65 -0.73 0.00 0.35 0.23 0.00 0.00 176.35 176.86 1ci5 n THR 68 N -2.30 0.00 0.26 5.49 -2.24 -1.26 -0.79 114.28 113.44 1ci5 n THR 68 Ca 0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 1ci5 n THR 68 Cb 0.56 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.43 3.42 0.87 -1.98 -2.91 113.55 114.38 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 0.00 -0.59 0.28 -0.53 0.00 0.00 176.83 175.99 1ci5 h SER 70 N 0.00 0.00 0.71 6.23 0.02 -2.01 -3.23 113.55 115.27 1ci5 h SER 70 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ci5 h SER 70 Cb 0.78 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1ci5 h SER 70 CO 0.00 0.23 -0.00 0.44 -1.14 0.00 0.00 176.83 176.36 1ci5 h ASP 71 N 0.00 0.00 -0.05 3.07 5.19 -1.90 -3.36 116.42 119.38 1ci5 h ASP 71 Ca -0.03 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.74 1ci5 h ASP 71 Cb 1.20 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.73 1ci5 h ASP 71 CO 0.03 0.00 2.38 1.21 -3.12 0.00 0.00 179.24 179.74 1ci5 n GLU 72 N -3.10 1.80 -4.05 3.56 2.13 -1.22 -4.71 120.64 115.05 1ci5 n GLU 72 Ca -0.01 -2.06 -0.09 0.00 0.66 0.00 0.00 57.16 55.66 1ci5 n GLU 72 Cb 0.24 -3.05 -0.09 0.00 0.27 0.00 0.00 31.44 28.81 1ci5 n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ci5 s ASP 73 N 4.73 0.20 -0.17 4.31 1.01 -1.15 -4.93 116.67 120.67 1ci5 s ASP 73 Ca 0.56 -1.03 -0.28 0.00 0.71 0.00 0.00 52.55 52.51 1ci5 s ASP 73 Cb 0.13 0.35 -0.00 0.00 1.01 0.00 0.00 42.92 44.41 1ci5 s ASP 73 CO 0.08 -0.79 0.97 -1.83 0.21 0.00 0.00 175.17 173.81 1ci5 s GLU 74 N -4.00 4.32 0.12 8.23 1.03 -1.26 -2.55 118.70 124.59 1ci5 s GLU 74 Ca 0.19 1.28 -0.01 0.00 0.03 0.00 0.00 54.97 56.46 1ci5 s GLU 74 Cb 0.06 -3.59 -0.04 0.00 -0.80 0.00 0.00 34.13 29.75 1ci5 s GLU 74 CO -0.00 -0.45 0.30 0.71 -1.33 0.00 0.00 175.26 174.48 1ci5 s TYR 75 N 2.54 3.50 -0.07 4.83 1.51 -0.75 -3.19 117.35 125.71 1ci5 s TYR 75 Ca 0.44 0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 56.80 1ci5 s TYR 75 Cb -0.17 -1.83 0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1ci5 s TYR 75 CO 0.12 0.50 0.13 -1.21 -1.11 0.00 0.00 175.55 173.98 1ci5 s GLU 76 N -2.78 0.02 -0.08 -0.62 8.01 0.11 -1.82 118.70 121.55 1ci5 s GLU 76 Ca 0.37 0.45 0.01 0.00 0.01 0.00 0.00 54.97 55.81 1ci5 s GLU 76 Cb -0.12 -0.29 -0.03 0.00 -4.31 0.00 0.00 34.13 29.39 1ci5 s GLU 76 CO 0.27 -0.26 -0.08 0.00 0.01 0.00 0.00 175.26 175.20 1ci5 s MET 77 N 1.88 2.89 -0.12 1.61 0.23 -0.82 0.12 119.30 125.09 1ci5 s MET 77 Ca -0.01 -0.58 -0.02 0.00 -1.03 0.00 0.00 55.69 54.05 1ci5 s MET 77 Cb -0.12 -2.60 -0.03 0.00 -1.53 0.00 0.00 34.83 30.55 1ci5 s MET 77 CO -0.05 0.56 -0.03 -1.21 -2.03 0.00 0.00 175.02 172.26 1ci5 s GLU 78 N -0.53 3.30 0.00 3.16 0.41 0.30 -1.73 118.70 123.61 1ci5 s GLU 78 Ca 0.08 -0.49 -0.10 0.00 -0.41 0.00 0.00 54.97 54.05 1ci5 s GLU 78 Cb -0.12 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.42 1ci5 s GLU 78 CO 0.02 0.46 0.19 0.45 -0.49 0.00 0.00 175.26 175.89 1ci5 s SER 79 N -0.23 -0.04 0.06 -0.19 0.15 -1.26 -0.70 113.70 111.49 1ci5 s SER 79 Ca 0.04 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1ci5 s SER 79 Cb -0.13 0.24 -0.18 0.00 -1.71 0.00 0.00 66.02 64.25 1ci5 s SER 79 CO 0.02 -0.42 1.53 1.55 1.20 0.00 0.00 173.24 177.13 1ci5 h PRO 80 N 4.05 -0.66 -0.16 5.44 0.13 -1.97 -2.78 132.00 136.05 1ci5 h PRO 80 Ca -0.31 0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1ci5 h PRO 80 Cb 1.19 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1ci5 h PRO 80 CO 0.41 -0.40 0.01 -0.91 -0.23 0.00 0.00 178.00 176.89 1ci5 h ASN 81 N -0.77 0.21 -3.94 1.44 4.21 -1.97 -3.43 115.58 111.32 1ci5 h ASN 81 Ca -0.07 -0.02 -0.56 0.00 1.21 0.00 0.00 56.30 56.86 1ci5 h ASN 81 Cb 0.56 -0.05 0.15 0.00 -1.12 0.00 0.00 38.32 37.86 1ci5 h ASN 81 CO 0.11 0.25 0.46 -0.38 -1.29 0.00 0.00 177.43 176.58 1ci5 n ILE 82 N -4.41 4.24 0.09 2.81 2.08 -1.05 -4.93 119.36 118.19 1ci5 n ILE 82 Ca -0.01 -0.50 -0.13 0.00 0.56 0.00 0.00 62.75 62.67 1ci5 n ILE 82 Cb 0.16 -1.48 -0.09 0.00 -0.75 0.00 0.00 39.64 37.48 1ci5 n ILE 82 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1ci5 h THR 83 N 0.89 1.49 0.00 1.39 2.02 -1.84 -3.46 112.91 113.40 1ci5 h THR 83 Ca -0.50 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 63.83 1ci5 h THR 83 Cb 1.33 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1ci5 h THR 83 CO 0.54 0.83 0.00 0.47 0.37 0.00 0.00 175.52 177.73 1ci5 n ASP 84 N -3.60 0.00 -3.64 4.18 9.92 -1.26 -5.12 116.55 117.03 1ci5 n ASP 84 Ca -0.07 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.14 1ci5 n ASP 84 Cb 0.93 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.35 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1ci5 s SER 85 N 1.28 -0.19 -0.40 -2.24 1.04 -1.26 -4.45 113.70 107.49 1ci5 s SER 85 Ca 0.00 0.33 -0.25 0.00 0.48 0.00 0.00 55.95 56.51 1ci5 s SER 85 Cb 0.00 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1ci5 s SER 85 CO 0.00 -0.09 0.91 -0.32 0.98 0.00 0.00 173.24 174.72 1ci5 s MET 86 N -0.16 3.73 -0.52 4.02 1.75 -0.70 -4.82 119.30 122.60 1ci5 s MET 86 Ca 0.06 0.41 -0.14 0.00 -1.25 0.00 0.00 55.69 54.77 1ci5 s MET 86 Cb -0.04 -3.84 0.12 0.00 2.84 0.00 0.00 34.83 33.91 1ci5 s MET 86 CO -0.11 -1.03 0.45 0.15 -0.65 0.00 0.00 175.02 173.83 1ci5 s LYS 87 N 3.52 2.83 -0.22 4.11 3.01 -1.26 -1.94 119.74 129.79 1ci5 s LYS 87 Ca 0.37 -1.72 -0.04 0.00 -1.01 0.00 0.00 55.97 53.57 1ci5 s LYS 87 Cb -0.11 -4.17 -0.01 0.00 -1.01 0.00 0.00 37.83 32.52 1ci5 s LYS 87 CO 0.21 -1.28 -0.02 -0.06 0.51 0.00 0.00 175.35 174.71 1ci5 s PHE 88 N 1.52 2.98 -0.27 3.18 0.40 -0.75 -2.40 117.98 122.65 1ci5 s PHE 88 Ca 0.04 -0.82 -0.27 0.00 -0.60 0.00 0.00 56.93 55.28 1ci5 s PHE 88 Cb -0.29 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.13 1ci5 s PHE 88 CO 0.02 -0.50 0.95 0.12 0.70 0.00 0.00 175.22 176.52 1ci5 s PHE 89 N 1.47 3.27 -0.15 0.36 2.19 0.99 -1.81 117.98 124.29 1ci5 s PHE 89 Ca 0.05 1.22 -0.13 0.00 0.33 0.00 0.00 56.93 58.40 1ci5 s PHE 89 Cb -0.14 -3.30 -0.05 0.00 -1.31 0.00 0.00 43.02 38.22 1ci5 s PHE 89 CO -0.02 -0.54 0.29 -1.17 1.83 0.00 0.00 175.22 175.61 1ci5 s LEU 90 N 3.17 4.25 -0.19 6.12 2.96 -1.06 0.14 118.68 134.08 1ci5 s LEU 90 Ca 0.40 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.80 1ci5 s LEU 90 Cb -0.14 -2.36 -0.00 0.00 0.50 0.00 0.00 46.19 44.19 1ci5 s LEU 90 CO 0.09 0.12 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.83 1ci5 s TYR 91 N 0.36 2.88 -0.18 5.38 1.51 -0.56 -2.94 117.35 123.80 1ci5 s TYR 91 Ca 0.16 -1.08 -0.16 0.00 -1.01 0.00 0.00 57.07 54.99 1ci5 s TYR 91 Cb -0.13 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1ci5 s TYR 91 CO 0.04 -0.56 0.38 0.08 -1.11 0.00 0.00 175.55 174.38 1ci5 s VAL 92 N 1.21 5.23 0.45 0.71 1.01 -1.26 0.44 120.40 128.19 1ci5 s VAL 92 Ca 0.02 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1ci5 s VAL 92 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ci5 s VAL 92 CO -0.04 0.30 0.04 -0.83 0.00 0.00 0.00 175.10 174.57 1ci5 s GLY 93 N 0.81 2.73 -0.11 4.51 0.00 0.20 -4.91 107.32 110.55 1ci5 s GLY 93 Ca 0.19 -1.16 -0.03 0.00 0.00 0.00 0.00 44.72 43.73 1ci5 s GLY 93 CO 0.07 -2.06 0.42 1.18 0.00 0.00 0.00 173.10 172.71 1ci5 n GLU 94 N -1.06 0.74 0.00 2.90 1.02 -1.26 -0.50 120.64 122.47 1ci5 n GLU 94 Ca -0.12 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1ci5 n GLU 94 Cb 0.67 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1ci5 n GLU 94 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18