#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 s SER 2 N 0.00 5.24 -0.07 6.43 1.04 -1.26 -4.76 113.70 120.33 1ci5 s SER 2 Ca 0.00 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1ci5 s SER 2 Cb 0.00 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1ci5 s SER 2 CO 0.00 -1.54 -0.06 -1.58 0.98 0.00 0.00 173.24 171.05 1ci5 s GLN 3 N -4.45 1.09 -0.20 4.02 2.00 -0.63 -4.99 119.66 116.50 1ci5 s GLN 3 Ca 0.63 -0.14 -0.22 0.00 -2.00 0.00 0.00 55.36 53.62 1ci5 s GLN 3 Cb -0.17 -1.13 -0.02 0.00 0.80 0.00 0.00 33.01 32.49 1ci5 s GLN 3 CO 0.46 -0.15 0.71 1.14 -0.50 0.00 0.00 175.29 176.95 1ci5 s GLN 4 N 1.28 4.23 0.13 1.67 -2.07 -1.26 -0.19 119.66 123.44 1ci5 s GLN 4 Ca -0.05 0.77 0.02 0.00 -1.82 0.00 0.00 55.36 54.28 1ci5 s GLN 4 Cb -0.14 -3.59 -0.04 0.00 -1.09 0.00 0.00 33.01 28.16 1ci5 s GLN 4 CO -0.02 -0.30 0.25 0.42 -1.32 0.00 0.00 175.29 174.31 1ci5 s ILE 5 N 2.10 5.22 -0.22 3.63 -1.09 0.36 -4.91 121.20 126.30 1ci5 s ILE 5 Ca 0.32 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 58.00 1ci5 s ILE 5 Cb -0.16 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1ci5 s ILE 5 CO 0.11 -0.04 0.05 -0.31 -1.23 0.00 0.00 174.94 173.51 1ci5 s TYR 6 N -1.69 3.11 0.36 3.97 1.51 -1.26 -1.83 117.35 121.53 1ci5 s TYR 6 Ca 0.34 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 1ci5 s TYR 6 Cb -0.11 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1ci5 s TYR 6 CO 0.28 -0.18 0.13 0.20 -1.11 0.00 0.00 175.55 174.87 1ci5 s GLY 7 N 1.09 2.37 -0.08 0.71 0.00 0.92 -4.92 107.32 107.40 1ci5 s GLY 7 Ca 0.04 -1.53 -0.09 0.00 0.00 0.00 0.00 44.72 43.13 1ci5 s GLY 7 CO 0.03 -1.75 0.25 -1.34 0.00 0.00 0.00 173.10 170.28 1ci5 s VAL 8 N -3.34 0.01 0.31 1.40 -7.23 -1.26 -1.20 120.40 109.09 1ci5 s VAL 8 Ca 0.29 -0.07 -0.27 0.00 -1.81 0.00 0.00 61.98 60.12 1ci5 s VAL 8 Cb 0.04 -0.38 -0.14 0.00 0.56 0.00 0.00 36.38 36.47 1ci5 s VAL 8 CO 0.16 -0.04 0.95 0.29 -0.31 0.00 0.00 175.10 176.15 1ci5 n LYS 9 N 2.76 1.23 -1.67 4.82 4.01 0.34 -0.35 118.16 129.29 1ci5 n LYS 9 Ca -0.14 0.43 -0.20 0.00 -0.51 0.00 0.00 58.31 57.90 1ci5 n LYS 9 Cb 0.58 -1.80 -0.08 0.00 -0.51 0.00 0.00 35.03 33.22 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ci5 n TYR 10 N 0.03 -0.11 -4.37 2.13 4.01 -0.90 -4.82 117.16 113.13 1ci5 n TYR 10 Ca 0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.68 1ci5 n TYR 10 Cb 0.33 -3.41 -0.03 0.00 -0.31 0.00 0.00 39.34 35.92 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 -0.58 3.84 3.49 2.72 0.00 0.52 -4.74 105.19 110.44 1ci5 n GLY 11 Ca -0.20 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.32 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 -2.41 3.34 -0.03 1.61 2.20 -1.26 -1.17 114.94 117.22 1ci5 s ASN 12 Ca 0.02 -1.17 -0.29 0.00 -0.94 0.00 0.00 52.86 50.48 1ci5 s ASN 12 Cb 0.00 -0.27 0.09 0.00 -2.00 0.00 0.00 41.25 39.06 1ci5 s ASN 12 CO 0.01 -0.22 0.76 0.68 -2.94 0.00 0.00 177.10 175.40 1ci5 s VAL 13 N -2.75 0.00 0.09 3.54 -7.23 -0.94 -4.72 120.40 108.39 1ci5 s VAL 13 Ca 0.31 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.57 1ci5 s VAL 13 Cb 0.02 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1ci5 s VAL 13 CO 0.14 0.00 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.79 1ci5 s THR 14 N -1.95 2.06 -0.51 5.32 2.01 -1.26 -0.75 115.64 120.55 1ci5 s THR 14 Ca -0.04 -1.54 0.02 0.00 0.31 0.00 0.00 61.69 60.43 1ci5 s THR 14 Cb -0.00 -1.81 0.13 0.00 0.01 0.00 0.00 72.50 70.83 1ci5 s THR 14 CO 0.01 0.16 0.27 -0.36 -0.69 0.00 0.00 174.62 174.01 1ci5 s PHE 15 N -0.97 3.38 0.65 4.92 0.40 0.52 -4.96 117.98 121.91 1ci5 s PHE 15 Ca 0.11 -2.95 -0.17 0.00 -0.60 0.00 0.00 56.93 53.32 1ci5 s PHE 15 Cb -0.10 -2.98 -0.01 0.00 0.51 0.00 0.00 43.02 40.45 1ci5 s PHE 15 CO 0.04 -0.82 1.17 -1.01 0.70 0.00 0.00 175.22 175.29 1ci5 s HIS 16 N 0.10 2.40 -0.26 0.36 3.76 -1.26 -2.24 115.29 118.15 1ci5 s HIS 16 Ca 0.15 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.63 1ci5 s HIS 16 Cb -0.23 -3.36 0.06 0.00 1.11 0.00 0.00 32.58 30.16 1ci5 s HIS 16 CO -0.03 -2.09 -0.06 0.08 -0.85 0.00 0.00 174.74 171.79 1ci5 s VAL 17 N -1.95 1.83 -0.52 -0.90 1.01 -1.26 -4.95 120.40 113.65 1ci5 s VAL 17 Ca 0.73 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1ci5 s VAL 17 Cb -0.26 -2.06 -0.15 0.00 0.00 0.00 0.00 36.38 33.90 1ci5 s VAL 17 CO 0.38 -0.13 1.75 -2.65 0.00 0.00 0.00 175.10 174.45 1ci5 n PRO 18 N 4.54 1.10 0.00 2.72 -0.02 -1.26 -3.71 135.00 138.37 1ci5 n PRO 18 Ca -0.11 -1.35 0.00 0.00 -2.02 0.00 0.00 63.50 60.02 1ci5 n PRO 18 Cb 0.43 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ci5 n SER 19 N 6.56 1.44 -0.66 2.55 2.88 -1.26 -5.09 113.62 120.03 1ci5 n SER 19 Ca 0.40 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.01 1ci5 n SER 19 Cb 0.27 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 1ci5 n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ci5 n ASN 20 N -2.17 -3.93 -1.61 -3.46 5.15 -1.24 -5.06 115.26 102.94 1ci5 n ASN 20 Ca 0.00 0.57 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1ci5 n ASN 20 Cb 0.24 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 37.90 1ci5 n ASN 20 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1ci5 n GLN 21 N -2.18 -4.53 -1.58 1.20 0.00 -1.26 -4.79 117.38 104.25 1ci5 n GLN 21 Ca 0.00 3.29 -0.53 0.00 -0.00 0.00 0.00 57.00 59.75 1ci5 n GLN 21 Cb 0.24 -3.63 -0.06 0.00 0.00 0.00 0.00 30.24 26.78 1ci5 n GLN 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1ci5 n PRO 22 N 0.14 0.93 -3.63 3.69 -0.02 -1.15 -4.33 135.00 130.63 1ci5 n PRO 22 Ca 0.00 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 1ci5 n PRO 22 Cb 0.00 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.45 4.12 0.04 2.45 1.43 0.29 -4.95 118.68 122.51 1ci5 s LEU 23 Ca 0.86 -0.42 0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1ci5 s LEU 23 Cb -1.02 -2.04 -0.20 0.00 0.03 0.00 0.00 46.19 42.96 1ci5 s LEU 23 CO 0.49 -0.17 0.96 0.11 0.23 0.00 0.00 176.35 177.96 1ci5 h LYS 24 N 8.37 0.00 -4.10 1.70 1.79 -1.91 -3.42 116.57 119.00 1ci5 h LYS 24 Ca -0.33 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.67 1ci5 h LYS 24 Cb 1.16 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.45 1ci5 h LYS 24 CO 0.61 0.69 -0.79 -1.21 -1.08 0.00 0.00 179.45 177.67 1ci5 s GLU 25 N -2.68 1.16 -0.02 3.15 8.01 -1.26 -3.65 118.70 123.41 1ci5 s GLU 25 Ca -0.02 -0.15 -0.07 0.00 0.01 0.00 0.00 54.97 54.74 1ci5 s GLU 25 Cb 0.09 -1.23 0.01 0.00 -4.31 0.00 0.00 34.13 28.69 1ci5 s GLU 25 CO 0.82 -0.19 0.15 0.54 0.01 0.00 0.00 175.26 176.59 1ci5 s VAL 26 N 1.43 0.05 -0.16 2.63 0.11 -0.82 -4.25 120.40 119.39 1ci5 s VAL 26 Ca -0.02 -0.43 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 1ci5 s VAL 26 Cb -0.13 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1ci5 s VAL 26 CO -0.04 -0.24 0.03 -0.22 -3.33 0.00 0.00 175.10 171.31 1ci5 s LEU 27 N -0.83 0.90 -0.16 2.54 2.96 0.15 0.10 118.68 124.34 1ci5 s LEU 27 Ca -0.09 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.14 1ci5 s LEU 27 Cb -0.05 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1ci5 s LEU 27 CO 0.01 -0.28 0.13 0.26 -1.32 0.00 0.00 176.35 175.14 1ci5 s TRP 28 N 1.93 3.48 0.16 5.38 0.52 0.24 0.12 118.94 130.77 1ci5 s TRP 28 Ca 0.01 0.40 0.07 0.00 0.02 0.00 0.00 56.10 56.60 1ci5 s TRP 28 Cb -0.16 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 1ci5 s TRP 28 CO -0.07 0.49 -0.15 0.15 0.02 0.00 0.00 176.95 177.39 1ci5 s LYS 29 N -0.32 1.20 -0.28 4.98 -0.14 0.32 0.11 119.74 125.61 1ci5 s LYS 29 Ca 0.11 -1.40 -0.02 0.00 -1.36 0.00 0.00 55.97 53.30 1ci5 s LYS 29 Cb -0.12 -1.10 0.09 0.00 -1.68 0.00 0.00 37.83 35.02 1ci5 s LYS 29 CO 0.01 0.21 0.08 0.21 -0.76 0.00 0.00 175.35 175.10 1ci5 s LYS 30 N -3.03 0.66 6.47 1.68 2.20 0.14 0.67 119.74 128.54 1ci5 s LYS 30 Ca 0.15 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1ci5 s LYS 30 Cb -0.04 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1ci5 s LYS 30 CO 0.05 -0.91 0.00 0.94 -0.36 0.00 0.00 175.35 175.07 1ci5 n GLN 31 N 4.93 0.00 -0.42 4.03 7.27 0.16 -2.11 117.38 131.23 1ci5 n GLN 31 Ca -0.04 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.04 1ci5 n GLN 31 Cb 0.43 0.00 0.17 0.00 2.41 0.00 0.00 30.24 33.25 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 13.14 2.61 -4.28 3.69 4.01 -1.26 -4.87 118.16 131.20 1ci5 n LYS 32 Ca 0.00 -1.41 -0.15 0.00 -0.51 0.00 0.00 58.31 56.24 1ci5 n LYS 32 Cb 0.00 -1.81 -0.10 0.00 -0.51 0.00 0.00 35.03 32.61 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 -0.31 1.45 0.05 4.39 -1.08 -0.90 -5.16 116.67 115.11 1ci5 s ASP 33 Ca 0.25 -1.21 -0.03 0.00 -0.52 0.00 0.00 52.55 51.04 1ci5 s ASP 33 Cb 0.19 0.08 -0.04 0.00 -1.46 0.00 0.00 42.92 41.69 1ci5 s ASP 33 CO 0.07 -0.56 0.25 -0.54 0.52 0.00 0.00 175.17 174.91 1ci5 s LYS 34 N -3.90 3.50 0.00 4.34 1.02 -1.26 0.27 119.74 123.70 1ci5 s LYS 34 Ca 0.27 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1ci5 s LYS 34 Cb 0.06 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1ci5 s LYS 34 CO 0.06 0.61 0.00 0.28 -0.92 0.00 0.00 175.35 175.38 1ci5 n VAL 35 N 0.57 0.00 -4.24 3.17 0.31 0.31 -4.47 118.33 113.97 1ci5 n VAL 35 Ca -0.07 0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 64.50 1ci5 n VAL 35 Cb 0.52 -1.38 -0.10 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.79 1.38 -0.19 3.52 0.00 -0.57 -0.61 121.76 122.50 1ci5 s ALA 36 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 1ci5 s ALA 36 Cb 0.00 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.40 1ci5 s ALA 36 CO 0.00 -0.19 0.47 -2.00 0.00 0.00 0.00 175.76 174.05 1ci5 s GLU 37 N -3.81 0.47 -0.00 0.00 2.12 -0.48 0.83 118.70 117.82 1ci5 s GLU 37 Ca 0.18 0.88 0.07 0.00 0.36 0.00 0.00 54.97 56.47 1ci5 s GLU 37 Cb 0.04 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 1ci5 s GLU 37 CO 0.01 -0.15 -0.23 -1.17 -0.54 0.00 0.00 175.26 173.18 1ci5 s LEU 38 N 1.41 2.28 -0.29 2.70 2.96 0.28 -2.13 118.68 125.89 1ci5 s LEU 38 Ca -0.09 -0.44 -0.17 0.00 -0.22 0.00 0.00 54.13 53.20 1ci5 s LEU 38 Cb -0.07 -1.39 0.16 0.00 0.50 0.00 0.00 46.19 45.38 1ci5 s LEU 38 CO -0.14 0.30 1.07 -0.70 -1.32 0.00 0.00 176.35 175.56 1ci5 s GLU 39 N -0.90 0.30 -1.25 1.98 2.12 -0.74 -1.95 118.70 118.26 1ci5 s GLU 39 Ca 0.11 0.49 -0.03 0.00 0.36 0.00 0.00 54.97 55.90 1ci5 s GLU 39 Cb -0.10 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.36 1ci5 s GLU 39 CO 0.01 -0.06 1.05 -1.71 -0.54 0.00 0.00 175.26 174.01 1ci5 n ASN 40 N 3.31 -3.31 -2.02 -1.70 2.85 -1.25 -1.63 115.26 111.51 1ci5 n ASN 40 Ca -0.17 -0.60 -0.17 0.00 -0.11 0.00 0.00 54.58 53.53 1ci5 n ASN 40 Cb 0.57 -5.08 -0.04 0.00 1.24 0.00 0.00 39.78 36.48 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 -3.10 -4.75 -3.94 1.20 3.41 -1.26 -4.94 113.62 100.25 1ci5 n SER 41 Ca -0.20 0.23 -0.30 0.00 -0.26 0.00 0.00 58.87 58.33 1ci5 n SER 41 Cb 0.64 -4.11 -0.15 0.00 -0.26 0.00 0.00 64.21 60.33 1ci5 n SER 41 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ci5 s GLU 42 N -4.35 1.56 -0.03 4.33 0.41 -0.64 -5.12 118.70 114.86 1ci5 s GLU 42 Ca 0.00 -1.08 -0.03 0.00 -0.41 0.00 0.00 54.97 53.45 1ci5 s GLU 42 Cb 0.00 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 1ci5 s GLU 42 CO 0.00 -0.65 0.15 0.12 -0.49 0.00 0.00 175.26 174.39 1ci5 s PHE 43 N 1.36 3.49 -0.25 1.61 5.36 -1.26 -1.79 117.98 126.50 1ci5 s PHE 43 Ca -0.04 0.35 -0.26 0.00 -0.96 0.00 0.00 56.93 56.02 1ci5 s PHE 43 Cb -0.19 -1.83 0.13 0.00 -0.34 0.00 0.00 43.02 40.79 1ci5 s PHE 43 CO -0.08 0.64 1.03 -0.98 -1.46 0.00 0.00 175.22 174.38 1ci5 s ARG 44 N -1.72 0.52 0.22 10.12 1.70 -0.91 -5.02 118.95 123.85 1ci5 s ARG 44 Ca 0.24 0.47 0.05 0.00 -0.47 0.00 0.00 55.73 56.02 1ci5 s ARG 44 Cb -0.12 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.47 1ci5 s ARG 44 CO 0.15 -0.09 0.26 0.00 -1.08 0.00 0.00 175.30 174.53 1ci5 s ALA 45 N -0.12 3.76 0.17 7.88 0.00 -1.26 -1.38 121.76 130.81 1ci5 s ALA 45 Ca 0.02 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1ci5 s ALA 45 Cb -0.04 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1ci5 s ALA 45 CO -0.04 0.34 0.17 1.19 0.00 0.00 0.00 175.76 177.42 1ci5 n PHE 46 N -1.01 -1.86 -2.22 0.00 3.72 0.22 -4.41 117.46 111.91 1ci5 n PHE 46 Ca -0.08 -0.69 -0.07 0.00 -0.05 0.00 0.00 57.45 56.56 1ci5 n PHE 46 Cb 0.56 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.95 1ci5 n PHE 46 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ci5 n SER 47 N -2.30 -2.44 -1.80 4.37 7.64 -1.26 0.10 113.62 117.94 1ci5 n SER 47 Ca 0.02 0.30 -0.18 0.00 1.01 0.00 0.00 58.87 60.02 1ci5 n SER 47 Cb 0.19 -2.21 -0.04 0.00 -1.01 0.00 0.00 64.21 61.15 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ci5 n SER 48 N -1.29 -5.23 0.19 6.43 7.64 -1.26 -4.87 113.62 115.23 1ci5 n SER 48 Ca -0.08 0.17 0.07 0.00 1.01 0.00 0.00 58.87 60.03 1ci5 n SER 48 Cb 0.49 -4.31 0.36 0.00 -1.01 0.00 0.00 64.21 59.74 1ci5 n SER 48 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1ci5 h PHE 49 N 0.00 0.00 -2.44 1.43 3.04 0.41 -3.46 116.94 115.92 1ci5 h PHE 49 Ca -0.41 0.00 -0.56 0.00 3.98 0.00 0.00 57.97 60.99 1ci5 h PHE 49 Cb 1.26 0.00 0.22 0.00 2.56 0.00 0.00 35.95 39.99 1ci5 h PHE 49 CO 0.49 0.34 -1.28 0.36 -2.02 0.00 0.00 178.31 176.20 1ci5 n LYS 50 N -3.50 -0.01 -0.96 1.11 2.85 -1.26 -2.05 118.16 114.35 1ci5 n LYS 50 Ca -0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1ci5 n LYS 50 Cb 0.49 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 1ci5 n LYS 50 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1ci5 n ASN 51 N 1.88 -3.40 -0.70 -5.58 2.85 -1.26 -4.71 115.26 104.35 1ci5 n ASN 51 Ca 0.03 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.50 1ci5 n ASN 51 Cb 0.53 -1.63 -0.01 0.00 1.24 0.00 0.00 39.78 39.91 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ci5 n ARG 52 N -1.44 0.00 -4.05 1.20 1.74 -0.87 -5.03 116.66 108.22 1ci5 n ARG 52 Ca 0.00 -0.72 -0.11 0.00 -0.77 0.00 0.00 57.85 56.25 1ci5 n ARG 52 Cb 0.17 -0.09 -0.11 0.00 -1.02 0.00 0.00 32.46 31.41 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 0.36 -0.36 1.55 -7.23 -1.25 -0.26 120.40 113.21 1ci5 s VAL 53 Ca 0.04 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1ci5 s VAL 53 Cb 0.05 -0.70 0.14 0.00 0.56 0.00 0.00 36.38 36.43 1ci5 s VAL 53 CO -0.02 -0.55 0.22 -0.31 -0.31 0.00 0.00 175.10 174.13 1ci5 s TYR 54 N -1.94 0.78 -0.18 2.82 1.51 0.33 -4.94 117.35 115.73 1ci5 s TYR 54 Ca -0.08 -1.70 -0.24 0.00 -1.01 0.00 0.00 57.07 54.05 1ci5 s TYR 54 Cb -0.06 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.83 1ci5 s TYR 54 CO -0.02 -0.83 0.76 -1.17 -1.11 0.00 0.00 175.55 173.18 1ci5 s LEU 55 N 0.98 4.17 0.37 -1.29 2.96 -1.26 0.51 118.68 125.10 1ci5 s LEU 55 Ca 0.19 1.06 -0.27 0.00 -0.22 0.00 0.00 54.13 54.89 1ci5 s LEU 55 Cb -0.21 -3.11 -0.09 0.00 0.50 0.00 0.00 46.19 43.28 1ci5 s LEU 55 CO -0.01 -0.35 1.19 -0.62 -1.32 0.00 0.00 176.35 175.24 1ci5 s ASP 56 N 1.16 6.68 -0.44 3.68 -1.08 0.29 -4.93 116.67 122.04 1ci5 s ASP 56 Ca 0.35 2.41 0.02 0.00 -0.52 0.00 0.00 52.55 54.81 1ci5 s ASP 56 Cb -0.16 -2.62 0.53 0.00 -1.46 0.00 0.00 42.92 39.21 1ci5 s ASP 56 CO 0.12 -0.57 1.86 0.35 0.52 0.00 0.00 175.17 177.45 1ci5 n THR 57 N 0.39 3.06 0.01 1.71 -2.24 -1.26 -3.34 114.28 112.60 1ci5 n THR 57 Ca 0.03 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 1ci5 n THR 57 Cb 0.45 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1ci5 n THR 57 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ci5 n LYS 58 N -0.85 0.00 -0.23 -0.78 3.00 -1.26 -4.30 118.16 113.74 1ci5 n LYS 58 Ca 0.53 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.90 1ci5 n LYS 58 Cb 1.29 -0.03 0.17 0.00 0.00 0.00 0.00 35.03 36.46 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ci5 n SER 59 N -2.59 3.09 0.00 3.14 2.88 -1.26 0.10 113.62 118.98 1ci5 n SER 59 Ca 0.00 -2.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 1ci5 n SER 59 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 -0.03 0.76 3.53 0.46 0.00 -1.21 -4.42 105.19 104.27 1ci5 n GLY 60 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 2.20 -4.84 1.61 7.64 -1.26 -4.40 113.62 114.53 1ci5 n SER 61 Ca 0.00 0.68 -0.38 0.00 1.01 0.00 0.00 58.87 60.18 1ci5 n SER 61 Cb 0.02 -1.20 -0.06 0.00 -1.01 0.00 0.00 64.21 61.95 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 5.81 4.45 -0.27 -3.43 2.96 -0.95 0.11 118.68 127.35 1ci5 s LEU 62 Ca 1.06 0.86 -0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1ci5 s LEU 62 Cb -0.97 -2.49 0.08 0.00 0.50 0.00 0.00 46.19 43.31 1ci5 s LEU 62 CO 0.56 0.32 0.03 -0.89 -1.32 0.00 0.00 176.35 175.05 1ci5 s THR 63 N -0.97 1.21 0.49 3.68 2.01 0.18 0.19 115.64 122.43 1ci5 s THR 63 Ca 0.22 -1.31 -0.17 0.00 0.31 0.00 0.00 61.69 60.74 1ci5 s THR 63 Cb -0.16 -1.73 -0.09 0.00 0.01 0.00 0.00 72.50 70.54 1ci5 s THR 63 CO 0.11 -0.39 0.96 -0.63 -0.69 0.00 0.00 174.62 173.99 1ci5 s ILE 64 N 1.50 4.51 0.09 1.82 1.01 0.07 0.12 121.20 130.32 1ci5 s ILE 64 Ca 0.03 1.26 0.08 0.00 0.00 0.00 0.00 60.65 62.02 1ci5 s ILE 64 Cb -0.18 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1ci5 s ILE 64 CO -0.14 -0.58 -0.21 -0.31 0.00 0.00 0.00 174.94 173.70 1ci5 s TYR 65 N -2.49 1.82 -0.20 3.97 1.51 0.64 -2.21 117.35 120.39 1ci5 s TYR 65 Ca 0.59 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.23 1ci5 s TYR 65 Cb -0.10 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.74 1ci5 s TYR 65 CO 0.26 0.20 0.03 0.09 -1.11 0.00 0.00 175.55 175.01 1ci5 n ASN 66 N 1.20 -7.48 -4.93 2.29 4.13 -0.32 -4.82 115.26 105.33 1ci5 n ASN 66 Ca -0.19 1.02 -0.25 0.00 1.68 0.00 0.00 54.58 56.84 1ci5 n ASN 66 Cb 0.53 -3.93 0.01 0.00 -1.54 0.00 0.00 39.78 34.85 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ci5 s LEU 67 N -1.45 3.66 0.33 3.41 1.43 -1.10 -4.80 118.68 120.16 1ci5 s LEU 67 Ca 0.01 0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1ci5 s LEU 67 Cb -0.00 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1ci5 s LEU 67 CO 0.50 -0.62 0.32 0.42 0.23 0.00 0.00 176.35 177.20 1ci5 s THR 68 N -2.62 0.00 -0.09 5.49 -4.23 -1.26 -2.12 115.64 110.80 1ci5 s THR 68 Ca 0.47 -1.92 0.29 0.00 -1.18 0.00 0.00 61.69 59.36 1ci5 s THR 68 Cb -0.10 -2.53 0.32 0.00 1.34 0.00 0.00 72.50 71.52 1ci5 s THR 68 CO 0.41 0.00 1.88 0.28 -0.54 0.00 0.00 174.62 176.65 1ci5 h SER 69 N 2.14 0.00 1.18 3.99 0.02 -1.99 -1.47 113.55 117.41 1ci5 h SER 69 Ca -0.26 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1ci5 h SER 69 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1ci5 h SER 69 CO 0.37 0.00 -0.85 0.28 -1.14 0.00 0.00 176.83 175.49 1ci5 h SER 70 N 0.00 0.00 0.88 3.07 0.02 -2.00 -3.27 113.55 112.24 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 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1ci5 h SER 70 CO 0.00 0.21 0.00 0.44 -1.14 0.00 0.00 176.83 176.34 1ci5 h ASP 71 N 0.00 0.00 -0.12 3.07 5.19 -1.65 -3.37 116.42 119.54 1ci5 h ASP 71 Ca -0.04 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.76 1ci5 h ASP 71 Cb 1.19 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.72 1ci5 h ASP 71 CO 0.02 0.00 2.21 1.21 -3.12 0.00 0.00 179.24 179.56 1ci5 n GLU 72 N -2.84 1.80 -4.11 3.56 0.00 -1.24 -4.71 120.64 113.11 1ci5 n GLU 72 Ca 0.01 -2.13 -0.10 0.00 0.00 0.00 0.00 57.16 54.93 1ci5 n GLU 72 Cb 0.27 -3.14 -0.09 0.00 0.00 0.00 0.00 31.44 28.48 1ci5 n GLU 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ci5 s ASP 73 N 4.94 0.19 -0.10 4.31 -1.08 -1.03 -4.90 116.67 119.00 1ci5 s ASP 73 Ca 0.58 -1.16 -0.28 0.00 -0.52 0.00 0.00 52.55 51.16 1ci5 s ASP 73 Cb 0.11 0.36 -0.02 0.00 -1.46 0.00 0.00 42.92 41.92 1ci5 s ASP 73 CO 0.09 -0.81 0.94 -0.70 0.52 0.00 0.00 175.17 175.21 1ci5 s GLU 74 N -4.05 4.41 0.03 4.34 2.12 -1.26 -1.94 118.70 122.35 1ci5 s GLU 74 Ca 0.26 1.27 -0.00 0.00 0.36 0.00 0.00 54.97 56.85 1ci5 s GLU 74 Cb 0.06 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1ci5 s GLU 74 CO 0.04 -0.25 0.15 0.71 -0.54 0.00 0.00 175.26 175.37 1ci5 s TYR 75 N 1.81 3.41 -0.09 5.30 1.51 -0.21 -0.67 117.35 128.42 1ci5 s TYR 75 Ca 0.46 0.24 0.01 0.00 -1.01 0.00 0.00 57.07 56.77 1ci5 s TYR 75 Cb -0.18 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1ci5 s TYR 75 CO 0.18 0.59 -0.11 -1.21 -1.11 0.00 0.00 175.55 173.89 1ci5 s GLU 76 N -2.13 1.71 -0.04 -0.62 2.02 0.21 -1.42 118.70 118.44 1ci5 s GLU 76 Ca 0.29 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.88 1ci5 s GLU 76 Cb -0.12 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 1ci5 s GLU 76 CO 0.21 -0.10 0.09 1.41 0.02 0.00 0.00 175.26 176.89 1ci5 s MET 77 N 1.11 3.17 -0.01 1.61 1.75 -0.38 0.12 119.30 126.66 1ci5 s MET 77 Ca -0.06 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.02 1ci5 s MET 77 Cb -0.14 -2.94 -0.01 0.00 2.84 0.00 0.00 34.83 34.58 1ci5 s MET 77 CO -0.02 0.68 -0.10 -1.21 -0.65 0.00 0.00 175.02 173.72 1ci5 s GLU 78 N -1.50 0.90 -0.05 4.11 2.02 0.33 -1.36 118.70 123.15 1ci5 s GLU 78 Ca 0.21 -0.37 -0.20 0.00 0.02 0.00 0.00 54.97 54.63 1ci5 s GLU 78 Cb -0.12 -0.86 0.04 0.00 0.10 0.00 0.00 34.13 33.29 1ci5 s GLU 78 CO 0.11 0.20 0.44 0.45 0.02 0.00 0.00 175.26 176.48 1ci5 s SER 79 N -0.14 -0.37 0.09 -0.19 0.15 -1.26 0.31 113.70 112.28 1ci5 s SER 79 Ca 0.02 0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.90 1ci5 s SER 79 Cb -0.05 0.47 -0.08 0.00 -1.71 0.00 0.00 66.02 64.65 1ci5 s SER 79 CO -0.00 -0.46 1.46 1.55 1.20 0.00 0.00 173.24 176.99 1ci5 h PRO 80 N 3.81 0.57 -0.01 5.44 0.13 -1.96 -3.05 132.00 136.93 1ci5 h PRO 80 Ca -0.29 -0.24 -0.14 0.00 -0.87 0.00 0.00 66.00 64.47 1ci5 h PRO 80 Cb 1.17 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1ci5 h PRO 80 CO 0.37 0.80 -0.62 -0.91 -0.23 0.00 0.00 178.00 177.41 1ci5 h ASN 81 N 0.32 0.06 -3.50 1.44 2.35 -1.97 -3.45 115.58 110.83 1ci5 h ASN 81 Ca 0.07 -0.04 -0.56 0.00 -0.55 0.00 0.00 56.30 55.22 1ci5 h ASN 81 Cb 0.62 -0.02 0.18 0.00 0.05 0.00 0.00 38.32 39.15 1ci5 h ASN 81 CO 0.04 0.67 -0.13 -0.38 -1.65 0.00 0.00 177.43 175.97 1ci5 n ILE 82 N -3.81 2.33 -0.02 2.81 2.08 -1.15 -4.92 119.36 116.68 1ci5 n ILE 82 Ca -0.01 -0.39 -0.15 0.00 0.56 0.00 0.00 62.75 62.76 1ci5 n ILE 82 Cb 0.62 -0.93 -0.03 0.00 -0.75 0.00 0.00 39.64 38.55 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 -0.28 1.30 0.00 1.39 2.02 -1.87 -3.47 112.91 111.98 1ci5 h THR 83 Ca -0.46 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 64.80 1ci5 h THR 83 Cb 1.34 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1ci5 h THR 83 CO 0.45 0.60 0.00 0.47 0.37 0.00 0.00 175.52 177.41 1ci5 n ASP 84 N -3.94 0.00 -3.61 4.18 9.92 -1.26 -5.15 116.55 116.69 1ci5 n ASP 84 Ca -0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 1ci5 n ASP 84 Cb 0.69 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.16 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 1.56 -0.12 0.25 -2.24 1.04 -1.26 -4.54 113.70 108.39 1ci5 s SER 85 Ca 0.00 -0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.46 1ci5 s SER 85 Cb 0.00 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1ci5 s SER 85 CO 0.00 -0.29 -0.03 -0.04 0.98 0.00 0.00 173.24 173.86 1ci5 s MET 86 N -2.47 2.22 -0.37 4.02 1.00 -0.46 -4.93 119.30 118.31 1ci5 s MET 86 Ca 0.11 -1.42 0.02 0.00 0.00 0.00 0.00 55.69 54.41 1ci5 s MET 86 Cb 0.01 -2.14 0.15 0.00 0.00 0.00 0.00 34.83 32.86 1ci5 s MET 86 CO -0.04 0.37 0.33 0.15 0.00 0.00 0.00 175.02 175.83 1ci5 s LYS 87 N -3.53 0.64 -0.26 2.03 3.01 -1.26 -1.25 119.74 119.11 1ci5 s LYS 87 Ca 0.30 -1.11 -0.09 0.00 -1.01 0.00 0.00 55.97 54.07 1ci5 s LYS 87 Cb -0.07 -0.94 -0.04 0.00 -1.01 0.00 0.00 37.83 35.77 1ci5 s LYS 87 CO 0.19 -1.22 0.12 -0.06 0.51 0.00 0.00 175.35 174.89 1ci5 s PHE 88 N 1.20 3.14 -0.24 3.18 0.40 -0.51 -1.60 117.98 123.56 1ci5 s PHE 88 Ca 0.19 -0.19 -0.22 0.00 -0.60 0.00 0.00 56.93 56.10 1ci5 s PHE 88 Cb -0.16 -2.30 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 1ci5 s PHE 88 CO -0.02 -0.27 0.70 0.12 0.70 0.00 0.00 175.22 176.44 1ci5 s PHE 89 N 1.67 3.31 -0.11 0.36 2.19 0.73 -1.04 117.98 125.09 1ci5 s PHE 89 Ca 0.07 0.95 -0.13 0.00 0.33 0.00 0.00 56.93 58.14 1ci5 s PHE 89 Cb -0.15 -2.91 -0.05 0.00 -1.31 0.00 0.00 43.02 38.60 1ci5 s PHE 89 CO 0.07 -0.33 0.31 -1.17 1.83 0.00 0.00 175.22 175.93 1ci5 s LEU 90 N 2.52 4.33 -0.15 6.12 2.96 -0.82 0.14 118.68 133.77 1ci5 s LEU 90 Ca 0.30 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 1ci5 s LEU 90 Cb -0.15 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.14 1ci5 s LEU 90 CO 0.08 0.20 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.82 1ci5 s TYR 91 N -0.15 2.74 -0.17 5.38 2.02 -0.76 -2.47 117.35 123.94 1ci5 s TYR 91 Ca 0.19 -1.23 -0.15 0.00 -0.37 0.00 0.00 57.07 55.50 1ci5 s TYR 91 Cb -0.14 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1ci5 s TYR 91 CO 0.07 -0.57 0.37 0.08 -1.57 0.00 0.00 175.55 173.93 1ci5 s VAL 92 N 0.89 5.24 0.39 0.71 1.01 -1.26 -0.05 120.40 127.32 1ci5 s VAL 92 Ca -0.05 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1ci5 s VAL 92 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ci5 s VAL 92 CO -0.02 0.31 0.10 -0.83 0.00 0.00 0.00 175.10 174.66 1ci5 s GLY 93 N 0.78 2.49 -0.03 4.51 0.00 -0.34 -4.90 107.32 109.82 1ci5 s GLY 93 Ca 0.19 -1.39 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 1ci5 s GLY 93 CO 0.07 -1.85 0.72 0.83 0.00 0.00 0.00 173.10 172.87 1ci5 h GLU 94 N 1.85 0.34 0.00 2.90 5.08 -1.95 0.99 114.58 123.78 1ci5 h GLU 94 Ca -0.37 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.41 1ci5 h GLU 94 Cb 1.27 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1ci5 h GLU 94 CO 0.61 1.23 0.00 0.45 -1.00 0.00 0.00 179.01 180.30