#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 -3.85 -3.46 2.88 -0.84 -4.79 113.62 103.56 1ci5 n SER 2 Ca 0.00 0.88 -0.22 0.00 -1.33 0.00 0.00 58.87 58.21 1ci5 n SER 2 Cb 0.00 -0.38 -0.17 0.00 -0.75 0.00 0.00 64.21 62.91 1ci5 n SER 2 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ci5 s GLN 3 N -2.53 0.80 0.20 -1.46 -0.44 -1.22 -5.02 119.66 109.99 1ci5 s GLN 3 Ca 0.00 -0.04 -0.18 0.00 -2.50 0.00 0.00 55.36 52.64 1ci5 s GLN 3 Cb 0.00 -0.94 -0.08 0.00 -1.64 0.00 0.00 33.01 30.35 1ci5 s GLN 3 CO 0.00 -0.18 0.68 -0.65 0.50 0.00 0.00 175.29 175.64 1ci5 s GLN 4 N 1.36 4.18 0.07 1.67 -0.21 -1.26 -0.46 119.66 125.00 1ci5 s GLN 4 Ca -0.04 0.77 0.08 0.00 0.02 0.00 0.00 55.36 56.19 1ci5 s GLN 4 Cb -0.13 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 30.95 1ci5 s GLN 4 CO -0.02 0.42 -0.21 0.42 -2.12 0.00 0.00 175.29 173.77 1ci5 s ILE 5 N -1.51 1.70 -0.22 1.08 -1.09 0.32 -4.87 121.20 116.61 1ci5 s ILE 5 Ca 0.42 -1.37 -0.06 0.00 -2.23 0.00 0.00 60.65 57.41 1ci5 s ILE 5 Cb -0.16 -1.51 -0.02 0.00 -1.58 0.00 0.00 42.46 39.18 1ci5 s ILE 5 CO 0.20 0.08 0.01 -0.31 -1.23 0.00 0.00 174.94 173.70 1ci5 s TYR 6 N -0.97 3.04 0.37 3.97 1.51 -1.26 -1.34 117.35 122.67 1ci5 s TYR 6 Ca 0.07 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1ci5 s TYR 6 Cb -0.09 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1ci5 s TYR 6 CO 0.03 -0.34 0.11 0.20 -1.11 0.00 0.00 175.55 174.44 1ci5 s GLY 7 N 1.30 2.39 -0.09 0.71 0.00 0.23 -4.90 107.32 106.97 1ci5 s GLY 7 Ca 0.04 -1.51 -0.08 0.00 0.00 0.00 0.00 44.72 43.18 1ci5 s GLY 7 CO 0.01 -1.79 0.22 -1.34 0.00 0.00 0.00 173.10 170.20 1ci5 s VAL 8 N -3.30 -0.00 0.13 1.40 -7.23 -1.26 -0.52 120.40 109.63 1ci5 s VAL 8 Ca 0.29 0.01 -0.34 0.00 -1.81 0.00 0.00 61.98 60.13 1ci5 s VAL 8 Cb 0.04 -0.32 -0.17 0.00 0.56 0.00 0.00 36.38 36.50 1ci5 s VAL 8 CO 0.15 0.01 1.11 0.29 -0.31 0.00 0.00 175.10 176.34 1ci5 n LYS 9 N 3.07 0.85 -1.70 4.82 4.76 0.11 0.39 118.16 130.46 1ci5 n LYS 9 Ca -0.14 0.31 -0.15 0.00 -2.87 0.00 0.00 58.31 55.46 1ci5 n LYS 9 Cb 0.58 -1.77 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 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 1.49 -0.22 -4.35 2.13 4.01 -0.50 -4.79 117.16 114.92 1ci5 n TYR 10 Ca 0.17 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.75 1ci5 n TYR 10 Cb 0.21 -2.81 -0.03 0.00 -0.31 0.00 0.00 39.34 36.40 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 -1.09 3.88 3.54 2.72 0.00 0.16 -4.68 105.19 109.72 1ci5 n GLY 11 Ca -0.16 -2.26 -0.24 0.00 0.00 0.00 0.00 46.02 43.36 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 -2.31 3.89 0.01 1.61 2.20 -1.26 -0.82 114.94 118.25 1ci5 s ASN 12 Ca 0.01 -0.98 -0.28 0.00 -0.94 0.00 0.00 52.86 50.66 1ci5 s ASN 12 Cb 0.00 -0.45 0.07 0.00 -2.00 0.00 0.00 41.25 38.87 1ci5 s ASN 12 CO 0.01 -0.06 0.67 -0.69 -2.94 0.00 0.00 177.10 174.09 1ci5 s VAL 13 N -2.49 0.00 0.02 3.54 1.01 -0.91 -4.68 120.40 116.89 1ci5 s VAL 13 Ca 0.32 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1ci5 s VAL 13 Cb -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1ci5 s VAL 13 CO 0.17 0.00 -0.15 -0.89 0.00 0.00 0.00 175.10 174.23 1ci5 s THR 14 N -2.02 1.22 -0.51 3.92 2.01 -1.26 -0.58 115.64 118.42 1ci5 s THR 14 Ca -0.07 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 1ci5 s THR 14 Cb -0.00 -1.07 0.13 0.00 0.01 0.00 0.00 72.50 71.57 1ci5 s THR 14 CO 0.02 0.14 0.34 -0.36 -0.69 0.00 0.00 174.62 174.07 1ci5 s PHE 15 N -0.69 3.50 0.53 4.92 0.08 0.50 -4.95 117.98 121.88 1ci5 s PHE 15 Ca 0.04 -2.38 -0.22 0.00 0.12 0.00 0.00 56.93 54.49 1ci5 s PHE 15 Cb -0.07 -3.30 -0.05 0.00 -0.57 0.00 0.00 43.02 39.02 1ci5 s PHE 15 CO 0.01 -0.94 1.30 -1.01 -0.10 0.00 0.00 175.22 174.49 1ci5 s HIS 16 N 0.74 2.42 -0.04 0.36 3.76 -1.26 -2.02 115.29 119.24 1ci5 s HIS 16 Ca 0.11 1.42 0.03 0.00 -0.15 0.00 0.00 55.06 56.47 1ci5 s HIS 16 Cb -0.22 -3.68 0.01 0.00 1.11 0.00 0.00 32.58 29.79 1ci5 s HIS 16 CO -0.03 -2.54 -0.11 0.08 -0.85 0.00 0.00 174.74 171.28 1ci5 s VAL 17 N -1.38 1.00 -1.22 -0.90 1.01 -1.26 -4.92 120.40 112.73 1ci5 s VAL 17 Ca 0.70 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1ci5 s VAL 17 Cb -0.37 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1ci5 s VAL 17 CO 0.44 0.31 1.88 -0.81 0.00 0.00 0.00 175.10 176.92 1ci5 n PRO 18 N 3.53 2.40 -3.35 2.72 -0.04 -1.26 -4.77 135.00 134.23 1ci5 n PRO 18 Ca -0.21 -2.76 -0.15 0.00 -0.04 0.00 0.00 63.50 60.34 1ci5 n PRO 18 Cb 0.53 -3.50 -0.07 0.00 -0.04 0.00 0.00 33.50 30.41 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 5.02 0.97 0.40 3.54 0.15 -1.26 -4.95 113.70 117.57 1ci5 s SER 19 Ca 0.59 -1.37 0.14 0.00 0.70 0.00 0.00 55.95 56.01 1ci5 s SER 19 Cb 0.04 0.69 0.83 0.00 -1.71 0.00 0.00 66.02 65.87 1ci5 s SER 19 CO 0.09 -0.27 1.88 -0.55 1.20 0.00 0.00 173.24 175.59 1ci5 h ASN 20 N 7.24 0.00 -3.97 5.45 7.08 -1.92 -3.38 115.58 126.09 1ci5 h ASN 20 Ca 0.02 0.00 -0.46 0.00 -3.08 0.00 0.00 56.30 52.78 1ci5 h ASN 20 Cb 1.07 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.30 1ci5 h ASN 20 CO 0.21 0.31 0.36 -1.58 -2.08 0.00 0.00 177.43 174.64 1ci5 s GLN 21 N -4.31 4.35 -0.06 4.14 2.00 -1.26 -4.90 119.66 119.62 1ci5 s GLN 21 Ca -0.03 1.28 -0.34 0.00 -2.00 0.00 0.00 55.36 54.27 1ci5 s GLN 21 Cb 0.15 -2.50 -0.12 0.00 0.80 0.00 0.00 33.01 31.34 1ci5 s GLN 21 CO 0.71 0.07 1.84 -2.30 -0.50 0.00 0.00 175.29 175.11 1ci5 n PRO 22 N -0.05 2.16 -3.09 1.67 -0.02 -1.26 -4.59 135.00 129.82 1ci5 n PRO 22 Ca 0.05 0.79 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 1ci5 n PRO 22 Cb 0.52 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.67 5.16 0.27 2.45 1.43 0.35 -4.87 118.68 127.14 1ci5 s LEU 23 Ca 0.91 -1.25 0.20 0.00 -1.03 0.00 0.00 54.13 52.95 1ci5 s LEU 23 Cb -0.70 -2.36 0.09 0.00 0.03 0.00 0.00 46.19 43.26 1ci5 s LEU 23 CO 0.50 -1.11 1.28 0.07 0.23 0.00 0.00 176.35 177.32 1ci5 h LYS 24 N 9.19 0.00 -4.13 1.70 5.09 -1.91 -3.40 116.57 123.11 1ci5 h LYS 24 Ca -0.29 0.00 -0.59 0.00 0.09 0.00 0.00 60.65 59.86 1ci5 h LYS 24 Cb 1.09 0.00 -0.39 0.00 0.10 0.00 0.00 32.23 33.03 1ci5 h LYS 24 CO 1.08 0.18 -0.77 -1.21 -2.09 0.00 0.00 179.45 176.64 1ci5 s GLU 25 N -3.14 1.32 -0.03 0.07 2.02 -1.26 -2.41 118.70 115.28 1ci5 s GLU 25 Ca 0.02 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 1ci5 s GLU 25 Cb 0.07 -2.47 0.03 0.00 0.10 0.00 0.00 34.13 31.86 1ci5 s GLU 25 CO 0.75 -0.68 0.04 0.54 0.02 0.00 0.00 175.26 175.92 1ci5 s VAL 26 N 1.47 -0.05 -0.17 2.63 0.11 -0.87 -3.90 120.40 119.63 1ci5 s VAL 26 Ca -0.02 0.30 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1ci5 s VAL 26 Cb -0.18 -0.14 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1ci5 s VAL 26 CO -0.09 0.14 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.43 1ci5 s LEU 27 N 1.60 2.32 -0.12 2.54 2.96 0.66 0.11 118.68 128.75 1ci5 s LEU 27 Ca -0.02 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1ci5 s LEU 27 Cb -0.13 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1ci5 s LEU 27 CO -0.03 0.05 0.00 0.26 -1.32 0.00 0.00 176.35 175.31 1ci5 s TRP 28 N 1.04 3.14 0.17 5.38 0.52 0.21 0.95 118.94 130.35 1ci5 s TRP 28 Ca -0.01 0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.25 1ci5 s TRP 28 Cb -0.15 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1ci5 s TRP 28 CO -0.05 0.31 -0.16 0.15 0.02 0.00 0.00 176.95 177.22 1ci5 s LYS 29 N -0.41 1.25 -0.28 4.98 3.01 0.32 -0.49 119.74 128.12 1ci5 s LYS 29 Ca 0.08 -1.45 -0.04 0.00 -1.01 0.00 0.00 55.97 53.55 1ci5 s LYS 29 Cb -0.12 -1.17 0.10 0.00 -1.01 0.00 0.00 37.83 35.62 1ci5 s LYS 29 CO 0.02 0.22 0.13 0.21 0.51 0.00 0.00 175.35 176.44 1ci5 s LYS 30 N -3.10 0.21 6.54 1.68 2.20 -0.13 0.11 119.74 127.24 1ci5 s LYS 30 Ca 0.17 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1ci5 s LYS 30 Cb -0.04 -1.24 0.00 0.00 -1.51 0.00 0.00 37.83 35.04 1ci5 s LYS 30 CO 0.06 -1.00 0.00 1.04 -0.36 0.00 0.00 175.35 175.09 1ci5 n GLN 31 N 5.23 0.00 -0.61 4.03 6.02 -1.23 -2.11 117.38 128.71 1ci5 n GLN 31 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.91 1ci5 n GLN 31 Cb 0.42 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.88 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ci5 n LYS 32 N 13.22 2.79 -4.29 -1.09 4.01 -1.26 -4.89 118.16 126.64 1ci5 n LYS 32 Ca 0.00 -1.87 -0.16 0.00 -0.51 0.00 0.00 58.31 55.78 1ci5 n LYS 32 Cb 0.00 -1.87 -0.10 0.00 -0.51 0.00 0.00 35.03 32.54 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 -0.43 1.56 -0.02 4.39 1.11 -0.90 -5.15 116.67 117.23 1ci5 s ASP 33 Ca 0.33 -1.20 -0.05 0.00 0.18 0.00 0.00 52.55 51.81 1ci5 s ASP 33 Cb 0.26 0.06 -0.04 0.00 1.07 0.00 0.00 42.92 44.27 1ci5 s ASP 33 CO 0.09 -0.54 0.21 -0.54 1.18 0.00 0.00 175.17 175.57 1ci5 s LYS 34 N -3.89 3.51 -0.01 8.23 -0.14 -1.26 -0.96 119.74 125.22 1ci5 s LYS 34 Ca 0.27 -0.16 -0.02 0.00 -1.36 0.00 0.00 55.97 54.70 1ci5 s LYS 34 Cb 0.06 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 33.09 1ci5 s LYS 34 CO 0.07 0.68 -0.03 0.28 -0.76 0.00 0.00 175.35 175.59 1ci5 n VAL 35 N 1.24 0.13 -4.04 3.17 0.31 0.36 -4.41 118.33 115.10 1ci5 n VAL 35 Ca -0.13 0.43 -0.08 0.00 -0.01 0.00 0.00 64.34 64.56 1ci5 n VAL 35 Cb 0.53 -1.54 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.91 0.35 -0.14 3.52 0.00 -0.87 -0.06 121.76 121.66 1ci5 s ALA 36 Ca -0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1ci5 s ALA 36 Cb 0.00 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.55 1ci5 s ALA 36 CO 0.04 -0.41 0.30 -2.00 0.00 0.00 0.00 175.76 173.69 1ci5 s GLU 37 N -3.91 0.24 0.01 0.00 2.12 -0.14 0.65 118.70 117.66 1ci5 s GLU 37 Ca 0.08 0.70 0.04 0.00 0.36 0.00 0.00 54.97 56.15 1ci5 s GLU 37 Cb 0.07 -0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.40 1ci5 s GLU 37 CO -0.09 -0.20 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.16 1ci5 s LEU 38 N 1.75 3.03 -0.29 2.70 2.96 0.30 -2.05 118.68 127.08 1ci5 s LEU 38 Ca -0.06 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.44 1ci5 s LEU 38 Cb -0.11 -1.74 0.17 0.00 0.50 0.00 0.00 46.19 45.02 1ci5 s LEU 38 CO -0.10 0.28 1.21 -0.70 -1.32 0.00 0.00 176.35 175.72 1ci5 s GLU 39 N -1.37 0.21 -1.32 1.98 2.12 -0.25 -2.05 118.70 118.02 1ci5 s GLU 39 Ca 0.16 0.30 -0.02 0.00 0.36 0.00 0.00 54.97 55.78 1ci5 s GLU 39 Cb -0.11 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.36 1ci5 s GLU 39 CO 0.07 -0.03 0.76 0.09 -0.54 0.00 0.00 175.26 175.61 1ci5 n ASN 40 N 2.61 -1.74 -2.09 -1.70 4.13 -1.22 -0.78 115.26 114.47 1ci5 n ASN 40 Ca -0.15 -0.79 -0.16 0.00 1.68 0.00 0.00 54.58 55.16 1ci5 n ASN 40 Cb 0.57 -4.14 -0.03 0.00 -1.54 0.00 0.00 39.78 34.63 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ci5 n SER 41 N -3.04 -4.60 -3.95 6.41 3.41 -1.26 -4.94 113.62 105.65 1ci5 n SER 41 Ca -0.26 0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.27 1ci5 n SER 41 Cb 0.66 -3.97 -0.16 0.00 -0.26 0.00 0.00 64.21 60.47 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 -4.45 1.82 0.00 4.33 2.12 0.04 -5.13 118.70 117.44 1ci5 s GLU 42 Ca 0.00 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.77 1ci5 s GLU 42 Cb 0.00 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 1ci5 s GLU 42 CO 0.00 -0.36 0.04 0.12 -0.54 0.00 0.00 175.26 174.52 1ci5 s PHE 43 N 1.55 3.17 -0.27 5.30 5.36 -1.26 -1.09 117.98 130.73 1ci5 s PHE 43 Ca 0.02 0.13 -0.22 0.00 -0.96 0.00 0.00 56.93 55.90 1ci5 s PHE 43 Cb -0.14 -1.70 0.08 0.00 -0.34 0.00 0.00 43.02 40.92 1ci5 s PHE 43 CO -0.09 0.50 0.75 1.03 -1.46 0.00 0.00 175.22 175.95 1ci5 s ARG 44 N -1.67 0.76 0.25 10.12 0.52 -0.87 -5.02 118.95 123.03 1ci5 s ARG 44 Ca 0.21 1.02 0.03 0.00 -0.52 0.00 0.00 55.73 56.47 1ci5 s ARG 44 Cb -0.12 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1ci5 s ARG 44 CO 0.12 -0.11 0.39 0.00 0.02 0.00 0.00 175.30 175.73 1ci5 s ALA 45 N 0.75 3.87 0.43 2.13 0.00 -1.26 -0.97 121.76 126.71 1ci5 s ALA 45 Ca -0.03 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.92 1ci5 s ALA 45 Cb -0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1ci5 s ALA 45 CO -0.06 0.24 0.41 -0.06 0.00 0.00 0.00 175.76 176.29 1ci5 s PHE 46 N -2.01 2.64 0.00 0.00 0.08 0.92 -4.58 117.98 115.03 1ci5 s PHE 46 Ca 0.36 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1ci5 s PHE 46 Cb -0.10 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 1ci5 s PHE 46 CO 0.30 -0.19 0.00 0.45 -0.10 0.00 0.00 175.22 175.68 1ci5 n SER 47 N -1.61 0.00 -1.53 1.36 2.88 -1.26 -1.85 113.62 111.61 1ci5 n SER 47 Ca 0.04 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.54 1ci5 n SER 47 Cb 0.62 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.26 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ci5 n SER 48 N -2.37 3.69 0.07 -3.46 3.41 -1.26 -4.12 113.62 109.57 1ci5 n SER 48 Ca 0.00 -2.75 -0.11 0.00 -0.26 0.00 0.00 58.87 55.75 1ci5 n SER 48 Cb 0.00 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.16 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 1.59 0.22 -2.56 7.33 0.04 -1.70 -3.46 116.94 118.41 1ci5 h PHE 49 Ca 0.18 -0.16 -0.54 0.00 2.80 0.00 0.00 57.97 60.24 1ci5 h PHE 49 Cb 1.74 -0.01 0.23 0.00 2.20 0.00 0.00 35.95 40.10 1ci5 h PHE 49 CO 0.80 1.15 -1.33 0.36 -0.60 0.00 0.00 178.31 178.69 1ci5 n LYS 50 N -3.39 -0.10 -1.48 1.51 2.85 -1.25 -1.35 118.16 114.95 1ci5 n LYS 50 Ca -0.07 -0.01 -0.10 0.00 -1.05 0.00 0.00 58.31 57.08 1ci5 n LYS 50 Cb 0.99 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.99 1ci5 n LYS 50 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ci5 n ASN 51 N 1.58 -2.77 -0.62 -5.58 0.23 -1.26 -4.58 115.26 102.26 1ci5 n ASN 51 Ca 0.02 0.25 -0.01 0.00 -0.53 0.00 0.00 54.58 54.31 1ci5 n ASN 51 Cb 0.55 -2.65 -0.01 0.00 -2.08 0.00 0.00 39.78 35.59 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ci5 n ARG 52 N -1.84 0.00 -4.04 -3.83 1.74 -0.46 -5.08 116.66 103.15 1ci5 n ARG 52 Ca -0.10 -0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 56.34 1ci5 n ARG 52 Cb 0.37 -0.09 -0.11 0.00 -1.02 0.00 0.00 32.46 31.62 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 0.31 -0.36 1.55 -7.23 -1.19 -2.08 120.40 111.40 1ci5 s VAL 53 Ca 0.02 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1ci5 s VAL 53 Cb 0.03 -0.64 0.14 0.00 0.56 0.00 0.00 36.38 36.46 1ci5 s VAL 53 CO -0.01 -0.55 0.21 -0.47 -0.31 0.00 0.00 175.10 173.97 1ci5 s TYR 54 N -1.90 0.88 -0.02 2.82 5.04 0.35 -4.95 117.35 119.58 1ci5 s TYR 54 Ca -0.09 -1.70 -0.19 0.00 -2.44 0.00 0.00 57.07 52.64 1ci5 s TYR 54 Cb -0.07 -1.05 -0.05 0.00 0.35 0.00 0.00 41.96 41.14 1ci5 s TYR 54 CO -0.02 -0.82 0.56 -1.17 -1.34 0.00 0.00 175.55 172.75 1ci5 s LEU 55 N 1.02 4.41 0.35 6.97 2.96 -1.26 0.11 118.68 133.22 1ci5 s LEU 55 Ca 0.18 1.09 -0.27 0.00 -0.22 0.00 0.00 54.13 54.90 1ci5 s LEU 55 Cb -0.23 -2.85 -0.09 0.00 0.50 0.00 0.00 46.19 43.52 1ci5 s LEU 55 CO -0.01 0.12 1.19 -0.62 -1.32 0.00 0.00 176.35 175.71 1ci5 s ASP 56 N -0.21 6.81 -0.49 3.68 2.15 0.17 -4.94 116.67 123.85 1ci5 s ASP 56 Ca 0.29 2.42 0.01 0.00 0.43 0.00 0.00 52.55 55.70 1ci5 s ASP 56 Cb -0.18 -2.63 0.52 0.00 -0.30 0.00 0.00 42.92 40.34 1ci5 s ASP 56 CO 0.16 -0.48 1.92 0.35 -0.17 0.00 0.00 175.17 176.94 1ci5 n THR 57 N 0.59 3.19 0.00 1.71 -2.24 -1.26 -3.55 114.28 112.73 1ci5 n THR 57 Ca 0.02 -2.13 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 1ci5 n THR 57 Cb 0.45 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 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 -0.86 0.00 0.07 -0.78 3.00 -1.26 -4.62 118.16 113.71 1ci5 n LYS 58 Ca 0.55 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.99 1ci5 n LYS 58 Cb 1.18 0.00 0.38 0.00 0.00 0.00 0.00 35.03 36.59 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 -2.01 0.62 0.00 3.14 3.41 -1.26 0.13 113.62 117.65 1ci5 n SER 59 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1ci5 n SER 59 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 1.36 1.61 3.67 5.00 0.00 -1.23 -4.48 105.19 111.12 1ci5 n GLY 60 Ca 0.05 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.52 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 2.25 -4.79 1.61 3.41 -1.26 -4.32 113.62 110.53 1ci5 n SER 61 Ca 0.00 1.08 -0.38 0.00 -0.26 0.00 0.00 58.87 59.32 1ci5 n SER 61 Cb 0.00 -1.18 -0.06 0.00 -0.26 0.00 0.00 64.21 62.71 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 2.59 4.37 -0.29 1.04 2.96 -0.86 0.43 118.68 128.93 1ci5 s LEU 62 Ca 0.93 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1ci5 s LEU 62 Cb -1.00 -2.55 0.08 0.00 0.50 0.00 0.00 46.19 43.22 1ci5 s LEU 62 CO 0.58 0.20 0.01 -0.89 -1.32 0.00 0.00 176.35 174.93 1ci5 s THR 63 N -0.31 1.68 0.51 3.68 2.01 0.29 0.19 115.64 123.69 1ci5 s THR 63 Ca 0.22 -1.66 -0.15 0.00 0.31 0.00 0.00 61.69 60.42 1ci5 s THR 63 Cb -0.15 -2.10 -0.07 0.00 0.01 0.00 0.00 72.50 70.19 1ci5 s THR 63 CO 0.10 -0.39 0.96 -0.63 -0.69 0.00 0.00 174.62 173.97 1ci5 s ILE 64 N 1.26 4.60 0.08 1.82 1.01 0.26 0.13 121.20 130.36 1ci5 s ILE 64 Ca 0.03 1.06 0.07 0.00 0.00 0.00 0.00 60.65 61.81 1ci5 s ILE 64 Cb -0.19 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1ci5 s ILE 64 CO -0.11 -0.74 -0.19 -0.31 0.00 0.00 0.00 174.94 173.60 1ci5 s TYR 65 N -2.68 1.59 -0.17 3.97 2.02 -0.88 -2.13 117.35 119.07 1ci5 s TYR 65 Ca 0.57 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1ci5 s TYR 65 Cb -0.10 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1ci5 s TYR 65 CO 0.35 0.14 0.03 0.09 -1.57 0.00 0.00 175.55 174.59 1ci5 n ASN 66 N 1.31 -6.60 -4.95 2.29 3.02 -0.01 -4.84 115.26 105.49 1ci5 n ASN 66 Ca -0.19 1.06 -0.23 0.00 -0.03 0.00 0.00 54.58 55.19 1ci5 n ASN 66 Cb 0.54 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 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 -1.18 3.80 0.00 3.41 1.43 -1.16 -4.76 118.68 120.23 1ci5 s LEU 67 Ca -0.04 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1ci5 s LEU 67 Cb 0.00 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1ci5 s LEU 67 CO 0.48 -0.54 0.00 0.35 0.23 0.00 0.00 176.35 176.87 1ci5 n THR 68 N -1.93 0.00 0.32 5.49 -2.24 -1.26 -1.42 114.28 113.24 1ci5 n THR 68 Ca -0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1ci5 n THR 68 Cb 0.57 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.99 -3.06 113.55 114.13 1ci5 h SER 69 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 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 -0.68 -1.28 -0.53 0.00 0.00 176.83 174.34 1ci5 h SER 70 N 0.00 0.00 0.75 6.23 0.87 -2.01 -3.25 113.55 116.14 1ci5 h SER 70 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ci5 h SER 70 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1ci5 h SER 70 CO 0.00 0.20 0.00 0.44 -0.53 0.00 0.00 176.83 176.94 1ci5 h ASP 71 N 0.00 0.00 -0.08 6.23 5.19 -1.92 -3.36 116.42 122.48 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 1.17 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.70 1ci5 h ASP 71 CO 0.02 0.00 2.36 1.21 -3.12 0.00 0.00 179.24 179.71 1ci5 n GLU 72 N -3.06 1.86 -4.08 3.56 2.13 -1.23 -4.71 120.64 115.11 1ci5 n GLU 72 Ca -0.00 -2.12 -0.10 0.00 0.66 0.00 0.00 57.16 55.60 1ci5 n GLU 72 Cb 0.24 -3.09 -0.09 0.00 0.27 0.00 0.00 31.44 28.77 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 0.19 -0.20 4.31 1.01 -1.18 -4.90 116.67 120.63 1ci5 s ASP 73 Ca 0.56 -1.09 -0.25 0.00 0.71 0.00 0.00 52.55 52.48 1ci5 s ASP 73 Cb 0.13 0.36 -0.01 0.00 1.01 0.00 0.00 42.92 44.41 1ci5 s ASP 73 CO 0.07 -0.81 0.84 -1.83 0.21 0.00 0.00 175.17 173.66 1ci5 s GLU 74 N -4.03 4.26 0.10 8.23 -1.05 -1.26 -1.92 118.70 123.03 1ci5 s GLU 74 Ca 0.23 1.01 -0.06 0.00 -0.15 0.00 0.00 54.97 56.00 1ci5 s GLU 74 Cb 0.06 -3.60 -0.05 0.00 -0.44 0.00 0.00 34.13 30.09 1ci5 s GLU 74 CO 0.02 -0.40 0.35 0.71 0.95 0.00 0.00 175.26 176.89 1ci5 s TYR 75 N 2.42 3.52 -0.19 4.83 1.51 0.10 -3.57 117.35 125.97 1ci5 s TYR 75 Ca 0.37 0.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.03 1ci5 s TYR 75 Cb -0.16 -2.02 0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1ci5 s TYR 75 CO 0.10 0.49 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.74 1ci5 s GLU 76 N -2.33 1.78 0.21 -0.62 2.02 0.30 -0.80 118.70 119.26 1ci5 s GLU 76 Ca 0.37 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1ci5 s GLU 76 Cb -0.13 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1ci5 s GLU 76 CO 0.22 -0.45 0.39 0.00 0.02 0.00 0.00 175.26 175.44 1ci5 s MET 77 N 1.47 3.50 -0.11 1.61 0.23 -0.16 0.12 119.30 125.96 1ci5 s MET 77 Ca -0.01 -0.41 -0.05 0.00 -1.03 0.00 0.00 55.69 54.19 1ci5 s MET 77 Cb -0.16 -2.84 0.05 0.00 -1.53 0.00 0.00 34.83 30.35 1ci5 s MET 77 CO -0.08 0.39 0.24 -2.00 -2.03 0.00 0.00 175.02 171.54 1ci5 s GLU 78 N -3.49 0.16 -0.00 3.16 2.12 0.27 -2.20 118.70 118.71 1ci5 s GLU 78 Ca 0.38 0.62 0.01 0.00 0.36 0.00 0.00 54.97 56.34 1ci5 s GLU 78 Cb -0.11 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.18 1ci5 s GLU 78 CO 0.30 -0.23 -0.02 0.45 -0.54 0.00 0.00 175.26 175.22 1ci5 s SER 79 N 1.87 0.25 0.25 -1.70 0.15 -1.26 -0.25 113.70 113.01 1ci5 s SER 79 Ca -0.03 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.54 1ci5 s SER 79 Cb -0.11 -0.04 0.35 0.00 -1.71 0.00 0.00 66.02 64.51 1ci5 s SER 79 CO -0.08 0.01 1.86 -0.65 1.20 0.00 0.00 173.24 175.58 1ci5 h PRO 80 N 6.23 1.00 -0.09 5.44 0.11 -1.93 -1.56 132.00 141.21 1ci5 h PRO 80 Ca -0.28 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 1ci5 h PRO 80 Cb 1.19 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ci5 h PRO 80 CO 0.50 0.66 -0.60 -0.91 -0.21 0.00 0.00 178.00 177.45 1ci5 h ASN 81 N 1.03 0.34 -4.12 -2.05 4.21 -1.97 -3.45 115.58 109.57 1ci5 h ASN 81 Ca 0.39 -0.19 -0.53 0.00 1.21 0.00 0.00 56.30 57.18 1ci5 h ASN 81 Cb 0.17 -0.10 0.19 0.00 -1.12 0.00 0.00 38.32 37.46 1ci5 h ASN 81 CO -0.17 0.86 0.19 -0.38 -1.29 0.00 0.00 177.43 176.63 1ci5 n ILE 82 N -3.89 1.05 -0.23 2.81 2.08 -0.59 -4.91 119.36 115.68 1ci5 n ILE 82 Ca -0.03 -0.13 -0.04 0.00 0.56 0.00 0.00 62.75 63.11 1ci5 n ILE 82 Cb 0.62 -1.06 0.07 0.00 -0.75 0.00 0.00 39.64 38.52 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 -1.34 1.10 0.00 1.39 2.02 -1.87 -3.46 112.91 110.74 1ci5 h THR 83 Ca -0.45 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1ci5 h THR 83 Cb 1.29 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1ci5 h THR 83 CO 0.43 0.15 0.00 -0.67 0.37 0.00 0.00 175.52 175.80 1ci5 n ASP 84 N -4.68 0.00 -3.60 4.18 2.03 -1.26 -5.12 116.55 108.10 1ci5 n ASP 84 Ca 0.07 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.29 1ci5 n ASP 84 Cb 0.07 0.26 -0.05 0.00 -0.72 0.00 0.00 41.12 40.68 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ci5 s SER 85 N 0.22 -0.28 0.23 1.67 1.04 -1.26 -4.23 113.70 111.08 1ci5 s SER 85 Ca 0.00 0.34 0.11 0.00 0.48 0.00 0.00 55.95 56.88 1ci5 s SER 85 Cb 0.00 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1ci5 s SER 85 CO 0.00 -0.24 -0.19 -0.04 0.98 0.00 0.00 173.24 173.75 1ci5 s MET 86 N -0.96 1.71 -0.47 4.02 -1.94 -0.93 -4.97 119.30 115.76 1ci5 s MET 86 Ca 0.01 -1.57 0.03 0.00 -1.71 0.00 0.00 55.69 52.45 1ci5 s MET 86 Cb -0.01 -1.88 0.14 0.00 2.01 0.00 0.00 34.83 35.09 1ci5 s MET 86 CO -0.02 0.38 0.27 0.15 -0.01 0.00 0.00 175.02 175.79 1ci5 s LYS 87 N -3.08 1.44 -0.15 2.03 3.01 -1.26 -0.98 119.74 120.75 1ci5 s LYS 87 Ca 0.25 -2.20 -0.25 0.00 -1.01 0.00 0.00 55.97 52.76 1ci5 s LYS 87 Cb -0.07 -2.48 -0.02 0.00 -1.01 0.00 0.00 37.83 34.25 1ci5 s LYS 87 CO 0.13 -1.18 0.81 -0.06 0.51 0.00 0.00 175.35 175.56 1ci5 s PHE 88 N 0.10 3.45 -0.31 3.18 0.40 0.02 -1.98 117.98 122.84 1ci5 s PHE 88 Ca 0.19 1.25 -0.19 0.00 -0.60 0.00 0.00 56.93 57.58 1ci5 s PHE 88 Cb -0.21 -2.98 -0.01 0.00 0.51 0.00 0.00 43.02 40.33 1ci5 s PHE 88 CO -0.03 -0.19 0.59 0.12 0.70 0.00 0.00 175.22 176.42 1ci5 s PHE 89 N 1.93 3.21 0.08 0.36 5.36 0.39 0.02 117.98 129.33 1ci5 s PHE 89 Ca 0.38 0.52 -0.12 0.00 -0.96 0.00 0.00 56.93 56.75 1ci5 s PHE 89 Cb -0.17 -2.94 -0.06 0.00 -0.34 0.00 0.00 43.02 39.52 1ci5 s PHE 89 CO 0.14 -0.46 0.44 -1.17 -1.46 0.00 0.00 175.22 172.71 1ci5 s LEU 90 N 2.52 4.38 -0.11 6.12 2.96 -0.81 0.12 118.68 133.86 1ci5 s LEU 90 Ca 0.23 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1ci5 s LEU 90 Cb -0.15 -2.96 0.02 0.00 0.50 0.00 0.00 46.19 43.60 1ci5 s LEU 90 CO 0.12 0.19 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.92 1ci5 s TYR 91 N -1.34 1.69 -0.18 5.38 2.02 -0.45 -3.09 117.35 121.39 1ci5 s TYR 91 Ca 0.32 -0.83 -0.15 0.00 -0.37 0.00 0.00 57.07 56.04 1ci5 s TYR 91 Cb -0.15 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1ci5 s TYR 91 CO 0.17 -0.49 0.37 0.08 -1.57 0.00 0.00 175.55 174.11 1ci5 s VAL 92 N 1.35 5.24 0.43 0.71 1.01 -1.26 0.78 120.40 128.65 1ci5 s VAL 92 Ca -0.01 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.68 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 -0.05 0.31 0.08 -0.83 0.00 0.00 0.00 175.10 174.61 1ci5 s GLY 93 N 0.79 2.66 0.00 4.51 0.00 0.32 -4.90 107.32 110.71 1ci5 s GLY 93 Ca 0.19 -1.15 -0.08 0.00 0.00 0.00 0.00 44.72 43.67 1ci5 s GLY 93 CO 0.07 -1.95 0.87 0.83 0.00 0.00 0.00 173.10 172.92 1ci5 h GLU 94 N 1.70 0.36 0.00 2.90 4.39 -1.94 0.31 114.58 122.30 1ci5 h GLU 94 Ca -0.39 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 58.69 1ci5 h GLU 94 Cb 1.28 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1ci5 h GLU 94 CO 0.64 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 178.63