#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 0.00 -3.37 6.43 7.64 -1.26 -4.09 113.62 118.97 1ci5 n SER 2 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1ci5 n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1ci5 n SER 2 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ci5 s GLN 3 N 0.00 0.34 -0.08 1.43 2.00 -1.24 -5.03 119.66 117.07 1ci5 s GLN 3 Ca 0.00 0.22 -0.23 0.00 -2.00 0.00 0.00 55.36 53.35 1ci5 s GLN 3 Cb 0.00 -0.57 -0.03 0.00 0.80 0.00 0.00 33.01 33.20 1ci5 s GLN 3 CO 0.00 -0.84 0.71 -0.65 -0.50 0.00 0.00 175.29 174.01 1ci5 s GLN 4 N 2.47 4.41 -0.07 1.67 1.11 -1.26 0.39 119.66 128.38 1ci5 s GLN 4 Ca 0.10 0.87 0.00 0.00 0.01 0.00 0.00 55.36 56.35 1ci5 s GLN 4 Cb -0.14 -3.47 -0.03 0.00 -1.01 0.00 0.00 33.01 28.36 1ci5 s GLN 4 CO -0.23 0.01 -0.05 0.42 0.01 0.00 0.00 175.29 175.45 1ci5 s ILE 5 N 0.99 3.85 -0.24 1.08 -1.09 0.33 -4.89 121.20 121.23 1ci5 s ILE 5 Ca 0.37 -0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 58.18 1ci5 s ILE 5 Cb -0.17 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 1ci5 s ILE 5 CO 0.17 0.58 0.42 -0.31 -1.23 0.00 0.00 174.94 174.57 1ci5 s TYR 6 N -0.85 3.30 0.33 3.97 2.02 -1.26 -0.81 117.35 124.04 1ci5 s TYR 6 Ca 0.13 0.54 0.03 0.00 -0.37 0.00 0.00 57.07 57.41 1ci5 s TYR 6 Cb -0.11 -2.59 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 1ci5 s TYR 6 CO 0.02 -0.16 0.08 0.20 -1.57 0.00 0.00 175.55 174.12 1ci5 s GLY 7 N 1.40 2.10 -0.04 0.71 0.00 0.23 -4.93 107.32 106.79 1ci5 s GLY 7 Ca 0.18 -1.88 -0.05 0.00 0.00 0.00 0.00 44.72 42.97 1ci5 s GLY 7 CO 0.09 -1.78 0.14 -1.34 0.00 0.00 0.00 173.10 170.21 1ci5 s VAL 8 N -3.37 0.02 0.36 1.40 -7.23 -1.26 0.17 120.40 110.47 1ci5 s VAL 8 Ca 0.35 -0.12 -0.26 0.00 -1.81 0.00 0.00 61.98 60.13 1ci5 s VAL 8 Cb 0.08 -0.24 -0.12 0.00 0.56 0.00 0.00 36.38 36.65 1ci5 s VAL 8 CO 0.15 -0.07 0.98 0.29 -0.31 0.00 0.00 175.10 176.14 1ci5 n LYS 9 N 2.74 1.31 -1.31 4.82 5.02 0.04 -0.48 118.16 130.29 1ci5 n LYS 9 Ca -0.14 0.46 -0.11 0.00 -2.02 0.00 0.00 58.31 56.50 1ci5 n LYS 9 Cb 0.58 -1.91 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ci5 n TYR 10 N -0.16 0.00 -4.37 2.13 4.01 -0.65 -4.81 117.16 113.32 1ci5 n TYR 10 Ca 0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.67 1ci5 n TYR 10 Cb 0.36 -2.42 -0.04 0.00 -0.31 0.00 0.00 39.34 36.94 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 -0.53 3.83 3.53 2.72 0.00 0.37 -4.70 105.19 110.41 1ci5 n GLY 11 Ca -0.11 -2.24 -0.25 0.00 0.00 0.00 0.00 46.02 43.42 1ci5 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ci5 s ASN 12 N -2.42 3.12 -0.09 1.61 4.22 -1.26 -1.04 114.94 119.08 1ci5 s ASN 12 Ca 0.02 -1.36 -0.31 0.00 -2.14 0.00 0.00 52.86 49.07 1ci5 s ASN 12 Cb 0.00 -0.24 0.09 0.00 1.28 0.00 0.00 41.25 42.38 1ci5 s ASN 12 CO 0.01 -0.51 0.80 0.68 -2.04 0.00 0.00 177.10 176.04 1ci5 s VAL 13 N -3.00 0.00 -0.04 3.54 -7.23 -0.95 -4.70 120.40 108.02 1ci5 s VAL 13 Ca 0.35 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.57 1ci5 s VAL 13 Cb 0.09 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 1ci5 s VAL 13 CO 0.17 0.00 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.91 1ci5 s THR 14 N -1.21 2.92 -0.58 5.32 2.01 -1.26 0.82 115.64 123.67 1ci5 s THR 14 Ca -0.07 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1ci5 s THR 14 Cb -0.00 -2.14 0.15 0.00 0.01 0.00 0.00 72.50 70.52 1ci5 s THR 14 CO 0.07 0.57 0.40 -0.36 -0.69 0.00 0.00 174.62 174.60 1ci5 s PHE 15 N -0.74 3.47 0.70 4.92 0.08 0.46 -4.96 117.98 121.90 1ci5 s PHE 15 Ca 0.12 -2.56 -0.17 0.00 0.12 0.00 0.00 56.93 54.44 1ci5 s PHE 15 Cb -0.11 -3.25 0.02 0.00 -0.57 0.00 0.00 43.02 39.11 1ci5 s PHE 15 CO 0.01 -0.89 1.27 0.72 -0.10 0.00 0.00 175.22 176.23 1ci5 n HIS 16 N 3.84 1.75 -4.70 0.36 8.25 -1.26 -2.29 115.22 121.17 1ci5 n HIS 16 Ca 0.05 0.42 -0.30 0.00 -0.26 0.00 0.00 57.72 57.62 1ci5 n HIS 16 Cb 0.39 -2.22 -0.17 0.00 1.12 0.00 0.00 29.99 29.11 1ci5 n HIS 16 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ci5 s VAL 17 N -1.60 1.75 -1.07 1.59 1.01 -1.26 -4.92 120.40 115.89 1ci5 s VAL 17 Ca 0.80 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1ci5 s VAL 17 Cb -0.35 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 1ci5 s VAL 17 CO 0.43 0.49 1.94 -0.81 0.00 0.00 0.00 175.10 177.15 1ci5 n PRO 18 N 3.97 1.94 0.08 2.72 -0.04 -1.26 -4.21 135.00 138.19 1ci5 n PRO 18 Ca -0.20 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 1ci5 n PRO 18 Cb 0.52 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ci5 n SER 19 N 9.79 0.36 -2.76 3.54 2.88 -1.26 -4.89 113.62 121.27 1ci5 n SER 19 Ca 0.48 0.24 -0.12 0.00 -1.33 0.00 0.00 58.87 58.14 1ci5 n SER 19 Cb 0.43 0.03 0.07 0.00 -0.75 0.00 0.00 64.21 63.99 1ci5 n SER 19 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ci5 n ASN 20 N -3.32 -2.12 -3.63 -3.46 3.02 -1.26 -5.03 115.26 99.46 1ci5 n ASN 20 Ca 0.00 -0.45 -0.08 0.00 -0.03 0.00 0.00 54.58 54.03 1ci5 n ASN 20 Cb 0.06 -3.86 -0.06 0.00 -0.61 0.00 0.00 39.78 35.31 1ci5 n ASN 20 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1ci5 s GLN 21 N -5.01 0.40 -0.40 3.52 0.74 -1.26 -5.08 119.66 112.56 1ci5 s GLN 21 Ca 0.01 0.36 -0.38 0.00 0.05 0.00 0.00 55.36 55.41 1ci5 s GLN 21 Cb -0.01 0.19 -0.14 0.00 1.10 0.00 0.00 33.01 34.16 1ci5 s GLN 21 CO 0.53 -0.07 2.18 -2.30 -0.55 0.00 0.00 175.29 175.08 1ci5 n PRO 22 N 1.69 0.74 -3.23 1.67 -0.02 -1.09 -4.15 135.00 130.61 1ci5 n PRO 22 Ca -0.11 0.20 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 1ci5 n PRO 22 Cb 0.57 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 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 6.93 4.07 -0.00 2.45 1.43 0.16 -4.93 118.68 128.79 1ci5 s LEU 23 Ca 1.13 0.47 0.10 0.00 -1.03 0.00 0.00 54.13 54.80 1ci5 s LEU 23 Cb -1.06 -2.66 -0.23 0.00 0.03 0.00 0.00 46.19 42.27 1ci5 s LEU 23 CO 0.54 -0.31 0.81 0.11 0.23 0.00 0.00 176.35 177.73 1ci5 h LYS 24 N 8.06 0.03 -4.37 1.70 1.57 -1.90 -3.43 116.57 118.22 1ci5 h LYS 24 Ca -0.29 -0.04 -0.54 0.00 -1.87 0.00 0.00 60.65 57.91 1ci5 h LYS 24 Cb 1.14 0.02 -0.36 0.00 0.08 0.00 0.00 32.23 33.11 1ci5 h LYS 24 CO 0.72 0.68 -0.81 -1.21 -0.57 0.00 0.00 179.45 178.26 1ci5 s GLU 25 N -2.62 1.69 -0.07 3.15 2.02 -1.26 -3.18 118.70 118.42 1ci5 s GLU 25 Ca -0.04 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.58 1ci5 s GLU 25 Cb 0.08 -1.63 0.04 0.00 0.10 0.00 0.00 34.13 32.73 1ci5 s GLU 25 CO 0.82 -0.19 0.15 0.54 0.02 0.00 0.00 175.26 176.61 1ci5 s VAL 26 N 1.42 -0.12 -0.23 2.63 0.11 -0.92 -4.23 120.40 119.06 1ci5 s VAL 26 Ca 0.00 0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1ci5 s VAL 26 Cb -0.13 -0.26 0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1ci5 s VAL 26 CO -0.06 0.10 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.45 1ci5 s LEU 27 N 1.55 2.88 -0.16 2.54 2.96 0.62 0.59 118.68 129.66 1ci5 s LEU 27 Ca -0.05 -1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 52.72 1ci5 s LEU 27 Cb -0.12 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1ci5 s LEU 27 CO -0.06 -0.11 0.12 0.26 -1.32 0.00 0.00 176.35 175.24 1ci5 s TRP 28 N 1.19 3.44 0.17 5.38 0.52 0.13 0.11 118.94 129.88 1ci5 s TRP 28 Ca -0.03 0.36 0.08 0.00 0.02 0.00 0.00 56.10 56.53 1ci5 s TRP 28 Cb -0.17 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 1ci5 s TRP 28 CO -0.08 0.43 -0.17 0.15 0.02 0.00 0.00 176.95 177.30 1ci5 s LYS 29 N -0.18 1.26 -0.19 4.98 -0.14 0.26 -0.44 119.74 125.29 1ci5 s LYS 29 Ca 0.10 -1.42 -0.04 0.00 -1.36 0.00 0.00 55.97 53.24 1ci5 s LYS 29 Cb -0.12 -1.24 0.08 0.00 -1.68 0.00 0.00 37.83 34.87 1ci5 s LYS 29 CO 0.01 0.24 0.14 0.21 -0.76 0.00 0.00 175.35 175.18 1ci5 s LYS 30 N -2.95 0.12 6.58 1.68 2.20 0.17 -0.19 119.74 127.35 1ci5 s LYS 30 Ca 0.16 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1ci5 s LYS 30 Cb -0.05 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.71 1ci5 s LYS 30 CO 0.06 -0.71 0.00 0.94 -0.36 0.00 0.00 175.35 175.28 1ci5 n GLN 31 N 5.29 0.00 -0.89 4.03 7.27 -1.16 -2.17 117.38 129.75 1ci5 n GLN 31 Ca -0.06 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.91 1ci5 n GLN 31 Cb 0.48 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.35 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 13.30 2.81 -4.11 3.69 4.76 -1.26 -4.91 118.16 132.43 1ci5 n LYS 32 Ca 0.00 -2.46 -0.08 0.00 -2.87 0.00 0.00 58.31 52.90 1ci5 n LYS 32 Cb 0.00 -2.01 -0.10 0.00 -1.84 0.00 0.00 35.03 31.08 1ci5 n LYS 32 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ci5 s ASP 33 N -0.76 0.64 0.15 4.39 2.15 -0.92 -5.16 116.67 117.16 1ci5 s ASP 33 Ca 0.45 -1.01 -0.12 0.00 0.43 0.00 0.00 52.55 52.30 1ci5 s ASP 33 Cb 0.37 0.18 -0.07 0.00 -0.30 0.00 0.00 42.92 43.10 1ci5 s ASP 33 CO 0.10 -0.57 0.51 -0.54 -0.17 0.00 0.00 175.17 174.50 1ci5 s LYS 34 N -3.90 3.89 -0.04 4.34 1.02 -1.26 -0.66 119.74 123.12 1ci5 s LYS 34 Ca 0.09 0.36 -0.05 0.00 0.02 0.00 0.00 55.97 56.39 1ci5 s LYS 34 Cb 0.07 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1ci5 s LYS 34 CO -0.08 0.47 -0.09 0.28 -0.92 0.00 0.00 175.35 175.00 1ci5 n VAL 35 N 0.64 0.47 -4.12 3.17 0.31 0.42 -4.53 118.33 114.69 1ci5 n VAL 35 Ca -0.05 0.35 -0.09 0.00 -0.01 0.00 0.00 64.34 64.54 1ci5 n VAL 35 Cb 0.52 -1.68 -0.10 0.00 -0.91 0.00 0.00 33.84 31.67 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 -2.82 0.71 -0.20 3.52 0.00 -0.89 -1.04 121.76 121.05 1ci5 s ALA 36 Ca -0.08 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 1ci5 s ALA 36 Cb 0.01 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.59 1ci5 s ALA 36 CO 0.12 -0.37 0.48 -2.00 0.00 0.00 0.00 175.76 173.99 1ci5 s GLU 37 N -3.93 0.47 0.07 0.00 2.12 0.16 0.18 118.70 117.77 1ci5 s GLU 37 Ca 0.12 0.91 0.08 0.00 0.36 0.00 0.00 54.97 56.45 1ci5 s GLU 37 Cb 0.07 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 1ci5 s GLU 37 CO -0.06 -0.16 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.13 1ci5 s LEU 38 N 1.52 2.54 -0.29 2.70 2.96 0.20 -1.61 118.68 126.69 1ci5 s LEU 38 Ca -0.09 -0.52 -0.18 0.00 -0.22 0.00 0.00 54.13 53.12 1ci5 s LEU 38 Cb -0.08 -1.46 0.18 0.00 0.50 0.00 0.00 46.19 45.33 1ci5 s LEU 38 CO -0.15 0.22 1.17 -1.83 -1.32 0.00 0.00 176.35 174.45 1ci5 s GLU 39 N -1.69 0.19 -1.28 1.98 -1.05 -0.88 -2.18 118.70 113.80 1ci5 s GLU 39 Ca 0.15 0.31 -0.01 0.00 -0.15 0.00 0.00 54.97 55.27 1ci5 s GLU 39 Cb -0.10 0.05 0.01 0.00 -0.44 0.00 0.00 34.13 33.64 1ci5 s GLU 39 CO 0.06 -0.04 0.87 0.09 0.95 0.00 0.00 175.26 177.20 1ci5 n ASN 40 N 3.06 -2.03 -2.12 0.83 5.03 -1.24 -1.28 115.26 117.52 1ci5 n ASN 40 Ca -0.17 -0.72 -0.15 0.00 0.87 0.00 0.00 54.58 54.42 1ci5 n ASN 40 Cb 0.57 -4.56 -0.03 0.00 -1.02 0.00 0.00 39.78 34.74 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ci5 n SER 41 N -3.07 -4.43 -3.85 6.41 7.64 -1.26 -4.93 113.62 110.13 1ci5 n SER 41 Ca -0.26 0.20 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 1ci5 n SER 41 Cb 0.66 -3.82 -0.15 0.00 -1.01 0.00 0.00 64.21 59.89 1ci5 n SER 41 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ci5 s GLU 42 N -4.49 1.11 0.23 1.43 0.41 -0.40 -5.12 118.70 111.86 1ci5 s GLU 42 Ca 0.00 -1.23 -0.08 0.00 -0.41 0.00 0.00 54.97 53.25 1ci5 s GLU 42 Cb 0.00 -2.45 -0.07 0.00 -1.78 0.00 0.00 34.13 29.83 1ci5 s GLU 42 CO 0.00 -0.87 0.53 0.12 -0.49 0.00 0.00 175.26 174.55 1ci5 s PHE 43 N 1.39 3.44 -0.28 1.61 5.36 -1.26 -2.08 117.98 126.16 1ci5 s PHE 43 Ca 0.06 0.80 -0.25 0.00 -0.96 0.00 0.00 56.93 56.58 1ci5 s PHE 43 Cb -0.18 -2.21 0.11 0.00 -0.34 0.00 0.00 43.02 40.41 1ci5 s PHE 43 CO -0.16 0.28 0.96 0.50 -1.46 0.00 0.00 175.22 175.34 1ci5 s ARG 44 N -2.89 0.58 0.32 10.12 6.06 -0.64 -5.00 118.95 127.49 1ci5 s ARG 44 Ca 0.46 0.69 0.08 0.00 -2.50 0.00 0.00 55.73 54.47 1ci5 s ARG 44 Cb -0.11 0.28 -0.04 0.00 0.06 0.00 0.00 34.95 35.13 1ci5 s ARG 44 CO 0.23 -0.07 0.12 0.00 -2.50 0.00 0.00 175.30 173.08 1ci5 s ALA 45 N 0.29 3.45 0.24 6.12 0.00 -1.26 -0.67 121.76 129.94 1ci5 s ALA 45 Ca 0.02 -1.74 0.06 0.00 0.00 0.00 0.00 51.96 50.30 1ci5 s ALA 45 Cb -0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1ci5 s ALA 45 CO -0.05 0.10 0.23 -0.06 0.00 0.00 0.00 175.76 175.98 1ci5 s PHE 46 N -2.37 3.18 0.00 0.00 0.08 -0.20 -4.59 117.98 114.08 1ci5 s PHE 46 Ca 0.36 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1ci5 s PHE 46 Cb -0.04 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1ci5 s PHE 46 CO 0.22 0.51 0.00 -1.13 -0.10 0.00 0.00 175.22 174.72 1ci5 n SER 47 N -1.18 0.00 -1.82 1.36 3.41 -1.26 -2.36 113.62 111.78 1ci5 n SER 47 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.37 1ci5 n SER 47 Cb 0.57 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.63 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 -3.05 3.97 -0.03 4.04 3.41 -1.26 -4.10 113.62 116.60 1ci5 n SER 48 Ca 0.00 -3.07 -0.10 0.00 -0.26 0.00 0.00 58.87 55.44 1ci5 n SER 48 Cb 0.00 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.04 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 -0.48 0.91 -0.24 7.33 3.72 -0.99 -4.12 117.46 123.59 1ci5 n PHE 49 Ca 0.39 0.31 0.20 0.00 -0.05 0.00 0.00 57.45 58.29 1ci5 n PHE 49 Cb 1.16 -1.16 0.53 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 0.35 -0.50 -1.08 2.10 -1.71 0.79 116.57 116.53 1ci5 h LYS 50 Ca -0.34 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1ci5 h LYS 50 Cb 2.04 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.29 1ci5 h LYS 50 CO 0.07 0.23 0.00 -1.71 -2.00 0.00 0.00 179.45 176.04 1ci5 n ASN 51 N -4.49 2.66 -0.88 7.07 5.15 -1.26 -3.94 115.26 119.58 1ci5 n ASN 51 Ca 0.19 -2.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.09 1ci5 n ASN 51 Cb 0.73 -0.35 -0.00 0.00 -0.53 0.00 0.00 39.78 39.62 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 0.76 0.00 -4.13 1.20 1.74 0.25 -5.05 116.66 111.43 1ci5 n ARG 52 Ca 0.15 -1.14 -0.13 0.00 -0.77 0.00 0.00 57.85 55.97 1ci5 n ARG 52 Cb 0.45 -0.13 -0.11 0.00 -1.02 0.00 0.00 32.46 31.66 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 0.72 -0.42 1.55 -7.23 0.49 -0.01 120.40 115.49 1ci5 s VAL 53 Ca 0.10 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 1ci5 s VAL 53 Cb 0.12 -1.20 0.17 0.00 0.56 0.00 0.00 36.38 36.04 1ci5 s VAL 53 CO -0.05 -0.59 0.39 -0.47 -0.31 0.00 0.00 175.10 174.06 1ci5 s TYR 54 N -2.44 0.70 0.27 2.82 5.04 0.15 -4.93 117.35 118.95 1ci5 s TYR 54 Ca 0.02 -2.06 -0.29 0.00 -2.44 0.00 0.00 57.07 52.29 1ci5 s TYR 54 Cb -0.03 -0.74 -0.09 0.00 0.35 0.00 0.00 41.96 41.45 1ci5 s TYR 54 CO -0.01 -0.89 1.14 -1.17 -1.34 0.00 0.00 175.55 173.28 1ci5 s LEU 55 N 0.21 4.52 0.49 6.97 2.96 -1.26 -1.40 118.68 131.16 1ci5 s LEU 55 Ca 0.32 2.31 -0.16 0.00 -0.22 0.00 0.00 54.13 56.39 1ci5 s LEU 55 Cb 0.03 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1ci5 s LEU 55 CO -0.17 -0.24 0.94 -0.62 -1.32 0.00 0.00 176.35 174.94 1ci5 s ASP 56 N -0.62 6.61 -0.32 3.68 2.15 0.25 -4.93 116.67 123.50 1ci5 s ASP 56 Ca 0.47 1.49 0.08 0.00 0.43 0.00 0.00 52.55 55.01 1ci5 s ASP 56 Cb -0.33 -2.47 0.51 0.00 -0.30 0.00 0.00 42.92 40.32 1ci5 s ASP 56 CO 0.42 -0.54 1.49 0.35 -0.17 0.00 0.00 175.17 176.71 1ci5 n THR 57 N -1.49 2.65 0.01 1.71 -2.24 -1.26 -4.04 114.28 109.61 1ci5 n THR 57 Ca 0.06 -2.90 0.00 0.00 -2.27 0.00 0.00 64.05 58.93 1ci5 n THR 57 Cb 0.54 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1ci5 n THR 57 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ci5 n LYS 58 N -1.08 0.00 -0.10 -0.78 5.02 -1.26 -4.57 118.16 115.39 1ci5 n LYS 58 Ca 0.37 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.71 1ci5 n LYS 58 Cb 1.03 -0.06 0.10 0.00 -0.02 0.00 0.00 35.03 36.09 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ci5 n SER 59 N -2.63 2.48 0.00 4.39 2.88 -1.26 0.38 113.62 119.86 1ci5 n SER 59 Ca 0.00 -1.79 0.00 0.00 -1.33 0.00 0.00 58.87 55.75 1ci5 n SER 59 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1ci5 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ci5 n GLY 60 N 0.47 0.93 3.70 0.46 0.00 -1.26 -4.53 105.19 104.96 1ci5 n GLY 60 Ca 0.09 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.57 1ci5 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ci5 n SER 61 N 0.00 2.85 -4.88 1.61 7.64 -1.26 -4.45 113.62 115.14 1ci5 n SER 61 Ca 0.00 1.03 -0.35 0.00 1.01 0.00 0.00 58.87 60.56 1ci5 n SER 61 Cb 0.00 -1.24 -0.05 0.00 -1.01 0.00 0.00 64.21 61.90 1ci5 n SER 61 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ci5 s LEU 62 N 3.76 4.37 -0.24 -3.43 2.96 -0.97 0.87 118.68 125.99 1ci5 s LEU 62 Ca 0.96 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 1ci5 s LEU 62 Cb -0.90 -2.78 0.07 0.00 0.50 0.00 0.00 46.19 43.07 1ci5 s LEU 62 CO 0.59 0.23 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.94 1ci5 s THR 63 N -1.33 1.35 0.61 3.68 2.01 -0.49 0.17 115.64 121.65 1ci5 s THR 63 Ca 0.29 -1.21 -0.16 0.00 0.31 0.00 0.00 61.69 60.92 1ci5 s THR 63 Cb -0.14 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1ci5 s THR 63 CO 0.17 -0.21 1.09 -0.63 -0.69 0.00 0.00 174.62 174.35 1ci5 s ILE 64 N 1.46 3.44 -0.01 1.82 -1.09 0.24 0.29 121.20 127.35 1ci5 s ILE 64 Ca -0.02 0.72 0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1ci5 s ILE 64 Cb -0.18 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1ci5 s ILE 64 CO -0.09 -0.36 -0.04 -0.31 -1.23 0.00 0.00 174.94 172.91 1ci5 s TYR 65 N -2.26 0.45 -0.36 3.97 2.02 0.98 -2.24 117.35 119.91 1ci5 s TYR 65 Ca 0.67 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 57.15 1ci5 s TYR 65 Cb -0.19 -0.34 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1ci5 s TYR 65 CO 0.36 -0.04 0.37 0.09 -1.57 0.00 0.00 175.55 174.76 1ci5 n ASN 66 N 3.23 -7.51 -4.93 2.29 3.02 -0.21 -4.70 115.26 106.45 1ci5 n ASN 66 Ca -0.16 0.70 -0.25 0.00 -0.03 0.00 0.00 54.58 54.84 1ci5 n ASN 66 Cb 0.56 -4.48 0.01 0.00 -0.61 0.00 0.00 39.78 35.26 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 -2.14 3.62 0.00 3.41 1.43 -1.07 -4.77 118.68 119.16 1ci5 s LEU 67 Ca 0.17 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1ci5 s LEU 67 Cb -0.04 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1ci5 s LEU 67 CO 0.72 -0.68 0.00 0.35 0.23 0.00 0.00 176.35 176.97 1ci5 n THR 68 N -2.18 0.00 0.35 5.49 -2.24 -1.26 -1.64 114.28 112.80 1ci5 n THR 68 Ca 0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 1ci5 n THR 68 Cb 0.57 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.34 3.42 0.87 -1.98 -2.98 113.55 114.22 1ci5 h SER 69 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1ci5 h SER 69 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ci5 h SER 69 CO 0.00 0.00 -0.68 0.28 -0.53 0.00 0.00 176.83 175.90 1ci5 h SER 70 N 0.00 0.00 0.82 6.23 0.02 -2.00 -3.26 113.55 115.36 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 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1ci5 h SER 70 CO 0.00 0.12 0.00 0.44 -1.14 0.00 0.00 176.83 176.25 1ci5 h ASP 71 N 0.00 0.00 -0.12 3.07 5.19 -1.91 -3.37 116.42 119.28 1ci5 h ASP 71 Ca -0.02 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.80 1ci5 h ASP 71 Cb 1.11 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.64 1ci5 h ASP 71 CO 0.01 0.00 2.09 1.21 -3.12 0.00 0.00 179.24 179.43 1ci5 n GLU 72 N -2.95 1.65 -4.32 3.56 2.13 -1.23 -4.74 120.64 114.73 1ci5 n GLU 72 Ca 0.00 -2.06 -0.17 0.00 0.66 0.00 0.00 57.16 55.59 1ci5 n GLU 72 Cb 0.26 -3.12 -0.10 0.00 0.27 0.00 0.00 31.44 28.75 1ci5 n GLU 72 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ci5 s ASP 73 N 5.18 1.29 -0.45 4.31 -1.08 -1.05 -4.90 116.67 119.97 1ci5 s ASP 73 Ca 0.59 -1.47 -0.25 0.00 -0.52 0.00 0.00 52.55 50.90 1ci5 s ASP 73 Cb 0.11 0.29 0.03 0.00 -1.46 0.00 0.00 42.92 41.88 1ci5 s ASP 73 CO 0.11 -0.81 0.89 -1.83 0.52 0.00 0.00 175.17 174.04 1ci5 s GLU 74 N -3.94 3.52 0.29 4.34 -1.05 -1.26 -0.95 118.70 119.64 1ci5 s GLU 74 Ca 0.37 0.12 -0.04 0.00 -0.15 0.00 0.00 54.97 55.27 1ci5 s GLU 74 Cb 0.06 -3.92 -0.05 0.00 -0.44 0.00 0.00 34.13 29.79 1ci5 s GLU 74 CO 0.15 -1.17 0.54 0.71 0.95 0.00 0.00 175.26 176.44 1ci5 s TYR 75 N 3.61 3.48 0.11 4.83 1.51 0.24 -2.98 117.35 128.15 1ci5 s TYR 75 Ca 0.35 0.59 -0.09 0.00 -1.01 0.00 0.00 57.07 56.91 1ci5 s TYR 75 Cb -0.11 -2.06 -0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1ci5 s TYR 75 CO 0.25 0.19 0.22 -1.83 -1.11 0.00 0.00 175.55 173.26 1ci5 s GLU 76 N -3.59 0.95 0.00 -0.62 -1.05 0.74 0.11 118.70 115.24 1ci5 s GLU 76 Ca 0.43 -1.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.22 1ci5 s GLU 76 Cb -0.11 0.35 -0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1ci5 s GLU 76 CO 0.30 -0.32 -0.03 1.41 0.95 0.00 0.00 175.26 177.57 1ci5 s MET 77 N -3.90 0.27 -0.08 -4.83 1.75 0.16 0.93 119.30 113.60 1ci5 s MET 77 Ca 0.09 -0.16 0.04 0.00 -1.25 0.00 0.00 55.69 54.41 1ci5 s MET 77 Cb 0.04 -0.24 -0.00 0.00 2.84 0.00 0.00 34.83 37.47 1ci5 s MET 77 CO -0.07 0.06 -0.23 -1.21 -0.65 0.00 0.00 175.02 172.92 1ci5 s GLU 78 N -0.20 2.72 -0.01 4.11 2.02 0.30 -2.22 118.70 125.42 1ci5 s GLU 78 Ca 0.00 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 54.09 1ci5 s GLU 78 Cb -0.02 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1ci5 s GLU 78 CO -0.00 0.23 0.14 0.45 0.02 0.00 0.00 175.26 176.09 1ci5 s SER 79 N 0.21 -0.01 0.12 -0.19 0.15 -1.26 -0.28 113.70 112.44 1ci5 s SER 79 Ca -0.13 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.27 1ci5 s SER 79 Cb -0.16 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1ci5 s SER 79 CO 0.07 -0.30 1.53 1.55 1.20 0.00 0.00 173.24 177.28 1ci5 h PRO 80 N 4.63 0.72 -0.03 5.44 0.13 -1.95 -3.00 132.00 137.94 1ci5 h PRO 80 Ca -0.30 -0.27 -0.15 0.00 -0.87 0.00 0.00 66.00 64.41 1ci5 h PRO 80 Cb 1.20 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ci5 h PRO 80 CO 0.41 0.87 -0.65 -0.91 -0.23 0.00 0.00 178.00 177.48 1ci5 h ASN 81 N 0.53 0.16 -3.71 1.44 4.21 -1.97 -3.45 115.58 112.78 1ci5 h ASN 81 Ca 0.10 -0.10 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1ci5 h ASN 81 Cb 0.60 -0.05 0.17 0.00 -1.12 0.00 0.00 38.32 37.92 1ci5 h ASN 81 CO 0.04 0.76 0.10 -0.38 -1.29 0.00 0.00 177.43 176.66 1ci5 n ILE 82 N -3.81 3.16 -0.15 2.81 2.08 -1.13 -4.91 119.36 117.40 1ci5 n ILE 82 Ca -0.02 -0.42 -0.12 0.00 0.56 0.00 0.00 62.75 62.76 1ci5 n ILE 82 Cb 0.65 -1.12 -0.01 0.00 -0.75 0.00 0.00 39.64 38.41 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 -0.03 1.27 0.00 1.39 2.02 -1.87 -3.47 112.91 112.22 1ci5 h THR 83 Ca -0.48 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1ci5 h THR 83 Cb 1.34 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1ci5 h THR 83 CO 0.48 0.47 0.00 0.47 0.37 0.00 0.00 175.52 177.31 1ci5 n ASP 84 N -4.15 0.00 0.00 4.18 8.00 -1.26 -5.13 116.55 118.18 1ci5 n ASP 84 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ci5 n ASP 84 Cb 0.45 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1ci5 n ASP 84 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ci5 n SER 85 N -1.19 0.00 -4.67 -2.24 3.41 -1.26 -4.44 113.62 103.23 1ci5 n SER 85 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1ci5 n SER 85 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ci5 n SER 85 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1ci5 s MET 86 N -2.00 2.40 -0.47 4.33 1.00 -0.94 -4.93 119.30 118.69 1ci5 s MET 86 Ca 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 55.69 54.42 1ci5 s MET 86 Cb 0.00 -2.25 0.17 0.00 0.00 0.00 0.00 34.83 32.75 1ci5 s MET 86 CO 0.00 0.38 0.38 1.63 0.00 0.00 0.00 175.02 177.41 1ci5 n LYS 87 N -0.82 0.51 -2.67 2.03 4.01 -1.26 -0.67 118.16 119.30 1ci5 n LYS 87 Ca -0.07 -3.42 -0.42 0.00 -0.51 0.00 0.00 58.31 53.88 1ci5 n LYS 87 Cb 0.58 -1.78 -0.03 0.00 -0.51 0.00 0.00 35.03 33.30 1ci5 n LYS 87 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1ci5 s PHE 88 N -0.27 3.50 -0.30 2.13 0.40 0.31 -3.72 117.98 120.03 1ci5 s PHE 88 Ca 0.32 1.57 -0.21 0.00 -0.60 0.00 0.00 56.93 58.01 1ci5 s PHE 88 Cb 0.03 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.35 1ci5 s PHE 88 CO -0.19 -0.29 0.65 0.12 0.70 0.00 0.00 175.22 176.20 1ci5 s PHE 89 N 1.98 3.22 -0.09 0.36 2.19 0.16 0.80 117.98 126.60 1ci5 s PHE 89 Ca 0.49 0.64 -0.18 0.00 0.33 0.00 0.00 56.93 58.21 1ci5 s PHE 89 Cb -0.19 -3.00 -0.05 0.00 -1.31 0.00 0.00 43.02 38.47 1ci5 s PHE 89 CO 0.19 -0.47 0.48 -1.17 1.83 0.00 0.00 175.22 176.08 1ci5 s LEU 90 N 2.64 4.32 -0.17 6.12 2.96 -0.13 0.12 118.68 134.54 1ci5 s LEU 90 Ca 0.26 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 1ci5 s LEU 90 Cb -0.15 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.84 1ci5 s LEU 90 CO 0.11 0.05 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.72 1ci5 s TYR 91 N 0.32 2.78 -0.17 5.38 1.51 0.01 -2.54 117.35 124.64 1ci5 s TYR 91 Ca 0.26 -1.32 -0.15 0.00 -1.01 0.00 0.00 57.07 54.85 1ci5 s TYR 91 Cb -0.16 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1ci5 s TYR 91 CO 0.11 -0.64 0.37 0.08 -1.11 0.00 0.00 175.55 174.36 1ci5 s VAL 92 N 1.07 5.24 0.44 0.71 1.01 -1.26 0.76 120.40 128.37 1ci5 s VAL 92 Ca -0.01 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1ci5 s VAL 92 Cb -0.14 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ci5 s VAL 92 CO -0.06 0.32 0.05 -0.83 0.00 0.00 0.00 175.10 174.58 1ci5 s GLY 93 N 0.76 2.69 -0.03 4.51 0.00 0.13 -4.91 107.32 110.46 1ci5 s GLY 93 Ca 0.19 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 1ci5 s GLY 93 CO 0.07 -2.01 0.73 0.83 0.00 0.00 0.00 173.10 172.71 1ci5 h GLU 94 N 1.66 0.32 0.00 2.90 4.39 -1.95 0.14 114.58 122.04 1ci5 h GLU 94 Ca -0.41 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 58.75 1ci5 h GLU 94 Cb 1.28 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1ci5 h GLU 94 CO 0.69 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 178.61