#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 6.57 -0.06 4.04 1.04 -1.26 -4.64 113.70 119.38 1ci5 s SER 2 Ca 0.00 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.19 1ci5 s SER 2 Cb 0.00 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 63.98 1ci5 s SER 2 CO 0.00 0.03 -0.09 -1.58 0.98 0.00 0.00 173.24 172.57 1ci5 s GLN 3 N -2.59 1.42 0.06 4.02 -0.44 -1.24 -4.99 119.66 115.90 1ci5 s GLN 3 Ca 0.42 -0.30 -0.20 0.00 -2.50 0.00 0.00 55.36 52.78 1ci5 s GLN 3 Cb -0.12 -1.25 -0.07 0.00 -1.64 0.00 0.00 33.01 29.93 1ci5 s GLN 3 CO 0.22 -0.04 0.58 -0.65 0.50 0.00 0.00 175.29 175.91 1ci5 s GLN 4 N 0.85 4.23 0.18 1.67 -0.21 -1.26 -0.44 119.66 124.68 1ci5 s GLN 4 Ca -0.12 0.75 0.09 0.00 0.02 0.00 0.00 55.36 56.11 1ci5 s GLN 4 Cb -0.15 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 1ci5 s GLN 4 CO 0.01 0.59 -0.10 0.42 -2.12 0.00 0.00 175.29 174.10 1ci5 s ILE 5 N -0.97 3.16 -0.28 1.08 -1.09 0.38 -4.89 121.20 118.60 1ci5 s ILE 5 Ca 0.30 -1.68 -0.07 0.00 -2.23 0.00 0.00 60.65 56.96 1ci5 s ILE 5 Cb -0.19 -2.57 -0.01 0.00 -1.58 0.00 0.00 42.46 38.11 1ci5 s ILE 5 CO 0.19 -0.12 0.08 -0.31 -1.23 0.00 0.00 174.94 173.55 1ci5 s TYR 6 N -1.72 3.12 0.45 3.97 2.02 -1.26 -1.57 117.35 122.35 1ci5 s TYR 6 Ca 0.25 -0.72 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 1ci5 s TYR 6 Cb -0.09 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1ci5 s TYR 6 CO 0.15 -0.48 0.04 0.20 -1.57 0.00 0.00 175.55 173.89 1ci5 s GLY 7 N 1.56 2.74 -0.08 0.71 0.00 0.30 -4.94 107.32 107.61 1ci5 s GLY 7 Ca 0.04 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 1ci5 s GLY 7 CO 0.03 -2.07 0.23 -1.34 0.00 0.00 0.00 173.10 169.95 1ci5 s VAL 8 N -2.95 0.01 0.17 1.40 -7.23 -1.26 -0.11 120.40 110.42 1ci5 s VAL 8 Ca 0.19 -0.05 -0.33 0.00 -1.81 0.00 0.00 61.98 59.99 1ci5 s VAL 8 Cb 0.04 -0.34 -0.16 0.00 0.56 0.00 0.00 36.38 36.48 1ci5 s VAL 8 CO 0.10 -0.03 1.07 1.17 -0.31 0.00 0.00 175.10 177.10 1ci5 n LYS 9 N 2.84 0.94 -1.45 4.82 3.00 0.34 0.64 118.16 129.30 1ci5 n LYS 9 Ca -0.13 0.33 -0.15 0.00 -0.00 0.00 0.00 58.31 58.36 1ci5 n LYS 9 Cb 0.58 -1.77 -0.07 0.00 0.00 0.00 0.00 35.03 33.78 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1ci5 n TYR 10 N 1.22 0.00 -3.85 5.64 4.01 -0.65 -4.80 117.16 118.74 1ci5 n TYR 10 Ca 0.15 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.77 1ci5 n TYR 10 Cb 0.24 -2.80 -0.01 0.00 -0.31 0.00 0.00 39.34 36.46 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 -0.80 3.20 3.34 2.72 0.00 0.21 -4.71 105.19 109.15 1ci5 n GLY 11 Ca -0.15 -2.24 -0.25 0.00 0.00 0.00 0.00 46.02 43.38 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 -2.32 2.88 0.02 1.61 0.01 -1.26 -1.64 114.94 114.25 1ci5 s ASN 12 Ca 0.09 -0.77 -0.15 0.00 -0.71 0.00 0.00 52.86 51.33 1ci5 s ASN 12 Cb -0.01 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.50 1ci5 s ASN 12 CO 0.06 0.07 0.33 -0.69 -1.51 0.00 0.00 177.10 175.36 1ci5 s VAL 13 N -1.41 0.07 0.09 1.60 1.01 -1.05 -4.78 120.40 115.92 1ci5 s VAL 13 Ca 0.12 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1ci5 s VAL 13 Cb -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1ci5 s VAL 13 CO 0.06 -0.31 -0.20 -0.89 0.00 0.00 0.00 175.10 173.75 1ci5 s THR 14 N -2.11 1.65 -0.62 3.92 2.01 -1.26 -0.63 115.64 118.61 1ci5 s THR 14 Ca -0.08 -1.46 0.01 0.00 0.31 0.00 0.00 61.69 60.47 1ci5 s THR 14 Cb -0.02 -1.50 0.15 0.00 0.01 0.00 0.00 72.50 71.14 1ci5 s THR 14 CO -0.00 -0.03 0.40 -0.36 -0.69 0.00 0.00 174.62 173.94 1ci5 s PHE 15 N -1.11 3.37 0.58 4.92 0.08 0.48 -4.95 117.98 121.35 1ci5 s PHE 15 Ca 0.06 -3.04 -0.20 0.00 0.12 0.00 0.00 56.93 53.86 1ci5 s PHE 15 Cb -0.10 -2.96 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 1ci5 s PHE 15 CO 0.04 -0.74 1.33 0.72 -0.10 0.00 0.00 175.22 176.47 1ci5 n HIS 16 N 2.97 2.15 -4.88 0.36 8.25 -1.26 -2.42 115.22 120.40 1ci5 n HIS 16 Ca 0.10 0.43 -0.28 0.00 -0.26 0.00 0.00 57.72 57.70 1ci5 n HIS 16 Cb 0.35 -2.33 -0.17 0.00 1.12 0.00 0.00 29.99 28.96 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 -1.32 1.56 -1.26 1.59 1.01 -1.26 -4.94 120.40 115.78 1ci5 s VAL 17 Ca 0.76 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1ci5 s VAL 17 Cb -0.40 -1.38 -0.12 0.00 0.00 0.00 0.00 36.38 34.48 1ci5 s VAL 17 CO 0.46 0.45 3.08 -0.81 0.00 0.00 0.00 175.10 178.28 1ci5 n PRO 18 N 3.65 3.37 -3.60 2.72 -0.04 -1.26 -4.84 135.00 135.00 1ci5 n PRO 18 Ca -0.21 -2.00 -0.40 0.00 -0.04 0.00 0.00 63.50 60.85 1ci5 n PRO 18 Cb 0.52 -2.62 -0.09 0.00 -0.04 0.00 0.00 33.50 31.28 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 2.04 5.62 0.05 3.54 0.15 -1.26 -4.97 113.70 118.87 1ci5 s SER 19 Ca 0.69 -1.98 -0.13 0.00 0.70 0.00 0.00 55.95 55.22 1ci5 s SER 19 Cb 0.21 -1.97 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 1ci5 s SER 19 CO -0.05 -0.65 1.22 -1.13 1.20 0.00 0.00 173.24 173.82 1ci5 h ASN 20 N 8.32 -0.69 -3.96 5.45 -1.24 -1.95 -3.41 115.58 118.09 1ci5 h ASN 20 Ca -0.18 0.09 -0.51 0.00 0.71 0.00 0.00 56.30 56.41 1ci5 h ASN 20 Cb 1.06 0.28 0.05 0.00 0.73 0.00 0.00 38.32 40.44 1ci5 h ASN 20 CO 0.82 -0.18 0.49 0.00 -1.29 0.00 0.00 177.43 177.28 1ci5 s GLN 21 N -4.05 3.98 -0.24 6.67 -2.07 -1.26 -4.90 119.66 117.78 1ci5 s GLN 21 Ca -0.06 1.80 -0.36 0.00 -1.82 0.00 0.00 55.36 54.92 1ci5 s GLN 21 Cb 0.03 -2.59 -0.13 0.00 -1.09 0.00 0.00 33.01 29.23 1ci5 s GLN 21 CO 0.24 -0.38 1.95 -2.30 -1.32 0.00 0.00 175.29 173.48 1ci5 n PRO 22 N -0.09 1.46 -2.00 9.60 -0.02 -1.26 -4.85 135.00 137.84 1ci5 n PRO 22 Ca 0.05 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1ci5 n PRO 22 Cb 0.47 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1ci5 n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ci5 s LEU 23 N 5.08 3.46 0.00 2.45 1.43 -0.98 -4.83 118.68 125.29 1ci5 s LEU 23 Ca 1.01 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.19 1ci5 s LEU 23 Cb -0.87 -3.25 -0.26 0.00 0.03 0.00 0.00 46.19 41.84 1ci5 s LEU 23 CO 0.55 -1.90 0.85 0.11 0.23 0.00 0.00 176.35 176.19 1ci5 h LYS 24 N 13.56 0.16 -4.51 1.70 1.57 -1.90 -3.42 116.57 123.73 1ci5 h LYS 24 Ca -0.31 -0.28 -0.62 0.00 -1.87 0.00 0.00 60.65 57.56 1ci5 h LYS 24 Cb 1.17 0.10 -0.38 0.00 0.08 0.00 0.00 32.23 33.21 1ci5 h LYS 24 CO 1.08 0.97 -0.79 -2.00 -0.57 0.00 0.00 179.45 178.14 1ci5 s GLU 25 N -2.62 1.84 -0.04 3.15 -6.30 -1.26 -3.24 118.70 110.23 1ci5 s GLU 25 Ca -0.07 -1.04 0.01 0.00 -2.50 0.00 0.00 54.97 51.37 1ci5 s GLU 25 Cb 0.07 -2.62 0.02 0.00 0.00 0.00 0.00 34.13 31.60 1ci5 s GLU 25 CO 0.84 -0.56 -0.06 0.54 0.02 0.00 0.00 175.26 176.04 1ci5 s VAL 26 N 1.33 0.64 -0.19 3.70 0.11 -0.75 -3.90 120.40 121.34 1ci5 s VAL 26 Ca -0.06 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1ci5 s VAL 26 Cb -0.19 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1ci5 s VAL 26 CO -0.06 0.24 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.56 1ci5 s LEU 27 N 0.70 2.35 -0.13 2.54 2.96 0.14 0.13 118.68 127.36 1ci5 s LEU 27 Ca -0.10 -0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 52.97 1ci5 s LEU 27 Cb -0.13 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1ci5 s LEU 27 CO 0.01 -0.05 0.03 0.26 -1.32 0.00 0.00 176.35 175.28 1ci5 s TRP 28 N 1.28 3.23 0.15 5.38 0.52 0.58 0.11 118.94 130.20 1ci5 s TRP 28 Ca 0.02 0.14 0.07 0.00 0.02 0.00 0.00 56.10 56.34 1ci5 s TRP 28 Cb -0.15 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 1ci5 s TRP 28 CO -0.11 0.34 -0.15 0.15 0.02 0.00 0.00 176.95 177.20 1ci5 s LYS 29 N -0.35 1.14 -0.25 4.98 3.01 0.34 -1.61 119.74 127.00 1ci5 s LYS 29 Ca 0.08 -1.35 -0.03 0.00 -1.01 0.00 0.00 55.97 53.65 1ci5 s LYS 29 Cb -0.12 -1.03 0.09 0.00 -1.01 0.00 0.00 37.83 35.75 1ci5 s LYS 29 CO 0.02 0.19 0.10 0.21 0.51 0.00 0.00 175.35 176.38 1ci5 s LYS 30 N -2.92 0.33 6.55 1.68 2.20 -0.56 -0.52 119.74 126.50 1ci5 s LYS 30 Ca 0.13 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1ci5 s LYS 30 Cb -0.04 -1.60 0.00 0.00 -1.51 0.00 0.00 37.83 34.68 1ci5 s LYS 30 CO 0.04 -0.88 0.00 1.04 -0.36 0.00 0.00 175.35 175.19 1ci5 n GLN 31 N 5.15 0.00 -0.77 4.03 1.13 -1.25 -2.16 117.38 123.50 1ci5 n GLN 31 Ca -0.06 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.93 1ci5 n GLN 31 Cb 0.44 0.00 0.20 0.00 0.11 0.00 0.00 30.24 31.00 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ci5 n LYS 32 N 13.24 2.77 -4.33 -1.09 4.76 -1.26 -4.91 118.16 127.34 1ci5 n LYS 32 Ca 0.00 -2.20 -0.17 0.00 -2.87 0.00 0.00 58.31 53.07 1ci5 n LYS 32 Cb 0.00 -1.94 -0.10 0.00 -1.84 0.00 0.00 35.03 31.15 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 -0.60 1.49 -0.09 4.39 2.15 -0.92 -5.15 116.67 117.93 1ci5 s ASP 33 Ca 0.40 -1.33 -0.04 0.00 0.43 0.00 0.00 52.55 52.01 1ci5 s ASP 33 Cb 0.32 0.09 -0.04 0.00 -0.30 0.00 0.00 42.92 43.00 1ci5 s ASP 33 CO 0.09 -0.66 0.08 -0.54 -0.17 0.00 0.00 175.17 173.98 1ci5 s LYS 34 N -3.97 3.21 -0.06 4.34 -0.14 -1.26 -1.50 119.74 120.36 1ci5 s LYS 34 Ca 0.35 -0.28 -0.07 0.00 -1.36 0.00 0.00 55.97 54.60 1ci5 s LYS 34 Cb 0.07 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.21 1ci5 s LYS 34 CO 0.12 0.73 -0.13 0.28 -0.76 0.00 0.00 175.35 175.59 1ci5 n VAL 35 N 1.94 0.64 -4.05 3.17 0.31 -0.63 -4.43 118.33 115.28 1ci5 n VAL 35 Ca -0.18 0.32 -0.08 0.00 -0.01 0.00 0.00 64.34 64.38 1ci5 n VAL 35 Cb 0.54 -1.80 -0.09 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.84 0.42 -0.21 3.52 0.00 -1.00 -1.31 121.76 120.34 1ci5 s ALA 36 Ca -0.11 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1ci5 s ALA 36 Cb 0.02 0.55 0.08 0.00 0.00 0.00 0.00 23.12 23.76 1ci5 s ALA 36 CO 0.17 -0.46 0.48 -2.00 0.00 0.00 0.00 175.76 173.94 1ci5 s GLU 37 N -3.95 0.44 0.01 0.00 2.12 -0.66 -0.31 118.70 116.35 1ci5 s GLU 37 Ca 0.13 1.00 0.04 0.00 0.36 0.00 0.00 54.97 56.50 1ci5 s GLU 37 Cb 0.07 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.62 1ci5 s GLU 37 CO -0.06 -0.19 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.21 1ci5 s LEU 38 N 1.95 3.03 -0.29 2.70 2.96 0.34 -2.30 118.68 127.06 1ci5 s LEU 38 Ca -0.07 -0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.47 1ci5 s LEU 38 Cb -0.09 -1.74 0.15 0.00 0.50 0.00 0.00 46.19 45.00 1ci5 s LEU 38 CO -0.14 0.28 0.99 -0.70 -1.32 0.00 0.00 176.35 175.45 1ci5 s GLU 39 N -1.43 0.35 -1.29 1.98 2.12 -0.05 -1.80 118.70 118.58 1ci5 s GLU 39 Ca 0.17 0.65 -0.06 0.00 0.36 0.00 0.00 54.97 56.08 1ci5 s GLU 39 Cb -0.11 0.13 -0.00 0.00 0.26 0.00 0.00 34.13 34.41 1ci5 s GLU 39 CO 0.07 -0.08 0.62 0.09 -0.54 0.00 0.00 175.26 175.42 1ci5 n ASN 40 N 3.88 -2.14 -1.89 -1.70 3.02 -1.24 -0.08 115.26 115.12 1ci5 n ASN 40 Ca -0.17 -0.95 -0.19 0.00 -0.03 0.00 0.00 54.58 53.24 1ci5 n ASN 40 Cb 0.57 -3.50 -0.05 0.00 -0.61 0.00 0.00 39.78 36.19 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ci5 n SER 41 N -2.92 -5.25 -4.10 6.41 3.41 -1.26 -4.94 113.62 104.96 1ci5 n SER 41 Ca -0.24 0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 58.34 1ci5 n SER 41 Cb 0.66 -4.56 -0.14 0.00 -0.26 0.00 0.00 64.21 59.91 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 -4.18 2.10 -0.14 4.33 -6.30 0.89 -5.09 118.70 110.30 1ci5 s GLU 42 Ca 0.00 -1.51 -0.04 0.00 -2.50 0.00 0.00 54.97 50.91 1ci5 s GLU 42 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 34.13 30.93 1ci5 s GLU 42 CO 0.00 -0.75 0.01 0.12 0.02 0.00 0.00 175.26 174.66 1ci5 s PHE 43 N 1.11 3.15 -0.28 5.30 5.36 -1.26 -0.87 117.98 130.49 1ci5 s PHE 43 Ca -0.01 -0.02 -0.21 0.00 -0.96 0.00 0.00 56.93 55.73 1ci5 s PHE 43 Cb -0.20 -1.95 0.08 0.00 -0.34 0.00 0.00 43.02 40.61 1ci5 s PHE 43 CO -0.04 0.18 0.76 1.03 -1.46 0.00 0.00 175.22 175.69 1ci5 s ARG 44 N -0.01 0.73 0.26 10.12 0.52 -0.97 -5.03 118.95 124.57 1ci5 s ARG 44 Ca 0.03 1.01 0.07 0.00 -0.52 0.00 0.00 55.73 56.33 1ci5 s ARG 44 Cb -0.13 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1ci5 s ARG 44 CO 0.02 -0.11 0.20 0.00 0.02 0.00 0.00 175.30 175.43 1ci5 s ALA 45 N 0.84 3.60 0.20 2.13 0.00 -1.26 -1.66 121.76 125.62 1ci5 s ALA 45 Ca -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1ci5 s ALA 45 Cb -0.05 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.80 1ci5 s ALA 45 CO -0.08 0.23 0.16 1.19 0.00 0.00 0.00 175.76 177.27 1ci5 n PHE 46 N -1.19 -1.33 -2.29 0.00 3.01 -0.43 -4.45 117.46 110.78 1ci5 n PHE 46 Ca -0.07 -0.84 -0.08 0.00 1.01 0.00 0.00 57.45 57.46 1ci5 n PHE 46 Cb 0.58 -0.17 -0.01 0.00 -0.01 0.00 0.00 39.48 39.87 1ci5 n PHE 46 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ci5 n SER 47 N -2.03 -2.81 -1.44 4.37 2.88 -1.26 0.73 113.62 114.06 1ci5 n SER 47 Ca -0.00 0.29 -0.19 0.00 -1.33 0.00 0.00 58.87 57.64 1ci5 n SER 47 Cb 0.23 -2.49 -0.08 0.00 -0.75 0.00 0.00 64.21 61.12 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 -1.45 -5.50 0.25 -3.46 3.41 -1.26 -4.82 113.62 100.79 1ci5 n SER 48 Ca -0.09 0.47 0.15 0.00 -0.26 0.00 0.00 58.87 59.13 1ci5 n SER 48 Cb 0.53 -4.65 0.50 0.00 -0.26 0.00 0.00 64.21 60.33 1ci5 n SER 48 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ci5 h PHE 49 N 0.00 0.00 -1.09 7.33 3.57 0.03 -3.22 116.94 123.56 1ci5 h PHE 49 Ca -0.38 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.42 1ci5 h PHE 49 Cb 1.30 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.94 1ci5 h PHE 49 CO 0.58 0.00 0.70 -0.22 -2.23 0.00 0.00 178.31 177.14 1ci5 h LYS 50 N 0.00 0.32 0.00 1.11 3.11 -1.78 1.31 116.57 120.63 1ci5 h LYS 50 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1ci5 h LYS 50 Cb 0.69 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1ci5 h LYS 50 CO 0.00 0.21 0.00 -1.71 -2.81 0.00 0.00 179.45 175.14 1ci5 n ASN 51 N -4.65 0.00 -0.94 4.20 5.15 -1.22 -3.28 115.26 114.53 1ci5 n ASN 51 Ca 0.28 -0.41 0.03 0.00 -0.60 0.00 0.00 54.58 53.89 1ci5 n ASN 51 Cb 0.99 -0.17 0.05 0.00 -0.53 0.00 0.00 39.78 40.12 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 -1.17 0.30 -4.06 1.20 1.74 0.43 -4.98 116.66 110.13 1ci5 n ARG 52 Ca 0.16 -1.88 -0.09 0.00 -0.77 0.00 0.00 57.85 55.27 1ci5 n ARG 52 Cb 0.17 -0.49 -0.11 0.00 -1.02 0.00 0.00 32.46 31.01 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 -0.64 0.32 -0.44 1.55 -7.23 -0.28 0.12 120.40 113.79 1ci5 s VAL 53 Ca 0.23 -1.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.07 1ci5 s VAL 53 Cb 0.25 -0.94 0.18 0.00 0.56 0.00 0.00 36.38 36.43 1ci5 s VAL 53 CO -0.08 -0.69 0.47 0.00 -0.31 0.00 0.00 175.10 174.48 1ci5 n TYR 54 N 0.86 -1.81 -2.33 2.82 4.19 0.29 -4.88 117.16 116.29 1ci5 n TYR 54 Ca -0.19 -2.72 -0.42 0.00 3.31 0.00 0.00 57.90 57.88 1ci5 n TYR 54 Cb 0.58 0.63 -0.03 0.00 0.49 0.00 0.00 39.34 41.00 1ci5 n TYR 54 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 1ci5 s LEU 55 N 0.25 4.39 0.35 2.98 2.96 -1.26 -1.77 118.68 126.57 1ci5 s LEU 55 Ca 0.32 2.16 -0.25 0.00 -0.22 0.00 0.00 54.13 56.14 1ci5 s LEU 55 Cb 0.03 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 1ci5 s LEU 55 CO -0.15 -0.51 0.98 -0.62 -1.32 0.00 0.00 176.35 174.72 1ci5 s ASP 56 N 0.88 7.16 -0.46 3.68 -1.08 0.34 -4.95 116.67 122.25 1ci5 s ASP 56 Ca 0.59 1.89 0.04 0.00 -0.52 0.00 0.00 52.55 54.56 1ci5 s ASP 56 Cb -0.33 -2.58 0.62 0.00 -1.46 0.00 0.00 42.92 39.17 1ci5 s ASP 56 CO 0.31 -0.20 1.87 0.35 0.52 0.00 0.00 175.17 178.02 1ci5 n THR 57 N 0.33 3.17 0.00 1.71 -2.24 -1.26 -3.70 114.28 112.29 1ci5 n THR 57 Ca 0.03 -2.19 0.00 0.00 -2.27 0.00 0.00 64.05 59.62 1ci5 n THR 57 Cb 0.50 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.11 0.00 -0.22 -0.78 4.01 -1.26 -4.87 118.16 113.93 1ci5 n LYS 58 Ca 0.57 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 58.44 1ci5 n LYS 58 Cb 1.46 -0.07 0.19 0.00 -0.51 0.00 0.00 35.03 36.10 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ci5 n SER 59 N -2.09 3.16 0.00 4.39 2.88 -1.26 -2.32 113.62 118.38 1ci5 n SER 59 Ca 0.00 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1ci5 n SER 59 Cb 0.00 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 0.81 0.85 3.62 0.46 0.00 -1.24 -4.51 105.19 105.18 1ci5 n GLY 60 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1ci5 n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ci5 n SER 61 N 0.00 1.29 -4.31 1.61 2.88 -1.26 -4.61 113.62 109.22 1ci5 n SER 61 Ca 0.00 1.01 -0.32 0.00 -1.33 0.00 0.00 58.87 58.23 1ci5 n SER 61 Cb 0.00 -1.37 -0.16 0.00 -0.75 0.00 0.00 64.21 61.94 1ci5 n SER 61 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ci5 s LEU 62 N -0.77 2.27 -0.26 2.46 2.96 -1.02 0.13 118.68 124.45 1ci5 s LEU 62 Ca 0.64 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1ci5 s LEU 62 Cb -0.54 -1.44 0.07 0.00 0.50 0.00 0.00 46.19 44.78 1ci5 s LEU 62 CO 0.56 0.24 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.88 1ci5 s THR 63 N -0.11 1.86 0.46 3.68 2.01 -0.73 0.18 115.64 122.99 1ci5 s THR 63 Ca -0.04 -1.57 -0.21 0.00 0.31 0.00 0.00 61.69 60.18 1ci5 s THR 63 Cb -0.14 -2.12 -0.10 0.00 0.01 0.00 0.00 72.50 70.15 1ci5 s THR 63 CO 0.04 -0.18 0.99 -0.63 -0.69 0.00 0.00 174.62 174.15 1ci5 s ILE 64 N 1.21 4.10 0.02 1.82 1.01 0.20 0.10 121.20 129.67 1ci5 s ILE 64 Ca -0.04 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.01 1ci5 s ILE 64 Cb -0.19 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1ci5 s ILE 64 CO -0.07 -0.28 -0.26 -0.31 0.00 0.00 0.00 174.94 174.02 1ci5 s TYR 65 N -2.08 2.30 -0.14 3.97 1.51 0.33 -2.54 117.35 120.69 1ci5 s TYR 65 Ca 0.64 -0.42 -0.10 0.00 -1.01 0.00 0.00 57.07 56.18 1ci5 s TYR 65 Cb -0.13 -1.42 0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1ci5 s TYR 65 CO 0.16 0.05 0.20 0.09 -1.11 0.00 0.00 175.55 174.94 1ci5 n ASN 66 N 2.06 -2.03 -4.97 2.29 3.02 -0.65 -4.71 115.26 110.27 1ci5 n ASN 66 Ca -0.16 1.26 -0.21 0.00 -0.03 0.00 0.00 54.58 55.44 1ci5 n ASN 66 Cb 0.52 -4.41 -0.02 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 -0.52 4.21 0.00 3.41 1.43 -1.21 -4.79 118.68 121.22 1ci5 s LEU 67 Ca -0.23 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1ci5 s LEU 67 Cb 0.02 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 1ci5 s LEU 67 CO 0.61 -0.16 0.20 0.35 0.23 0.00 0.00 176.35 177.59 1ci5 n THR 68 N -1.46 0.00 0.35 5.49 -2.24 -1.26 -1.63 114.28 113.53 1ci5 n THR 68 Ca -0.07 -1.58 0.14 0.00 -2.27 0.00 0.00 64.05 60.28 1ci5 n THR 68 Cb 0.57 0.80 0.58 0.00 -2.10 0.00 0.00 70.33 70.18 1ci5 n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ci5 h SER 69 N 1.36 0.00 1.17 3.42 0.02 -1.98 -2.07 113.55 115.46 1ci5 h SER 69 Ca -0.16 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1ci5 h SER 69 Cb 0.80 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1ci5 h SER 69 CO 0.23 0.00 -0.85 0.28 -1.14 0.00 0.00 176.83 175.35 1ci5 h SER 70 N 0.00 0.00 0.85 3.07 0.02 -2.01 -3.28 113.55 112.21 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 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1ci5 h SER 70 CO 0.00 0.18 0.00 0.44 -1.14 0.00 0.00 176.83 176.31 1ci5 h ASP 71 N 0.00 0.00 -0.10 3.07 5.19 -1.76 -3.37 116.42 119.46 1ci5 h ASP 71 Ca -0.04 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.81 1ci5 h ASP 71 Cb 1.17 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.73 1ci5 h ASP 71 CO 0.02 0.00 1.90 1.21 -3.12 0.00 0.00 179.24 179.25 1ci5 n GLU 72 N -2.97 1.32 -4.02 3.56 2.13 -1.24 -4.75 120.64 114.67 1ci5 n GLU 72 Ca 0.00 -1.87 -0.10 0.00 0.66 0.00 0.00 57.16 55.85 1ci5 n GLU 72 Cb 0.27 -3.06 -0.08 0.00 0.27 0.00 0.00 31.44 28.84 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 5.60 0.12 -0.17 4.31 1.01 -1.11 -4.92 116.67 121.51 1ci5 s ASP 73 Ca 0.61 -0.99 -0.26 0.00 0.71 0.00 0.00 52.55 52.63 1ci5 s ASP 73 Cb 0.11 0.40 -0.01 0.00 1.01 0.00 0.00 42.92 44.43 1ci5 s ASP 73 CO 0.15 -0.85 0.87 -1.83 0.21 0.00 0.00 175.17 173.72 1ci5 s GLU 74 N -4.00 4.31 0.02 8.23 4.04 -1.26 -2.01 118.70 128.02 1ci5 s GLU 74 Ca 0.20 1.09 -0.01 0.00 0.04 0.00 0.00 54.97 56.29 1ci5 s GLU 74 Cb 0.04 -3.58 -0.04 0.00 0.02 0.00 0.00 34.13 30.58 1ci5 s GLU 74 CO 0.01 -0.35 0.17 0.71 -1.84 0.00 0.00 175.26 173.96 1ci5 s TYR 75 N 2.23 3.47 0.11 4.83 1.51 -0.09 -3.94 117.35 125.47 1ci5 s TYR 75 Ca 0.40 0.28 0.10 0.00 -1.01 0.00 0.00 57.07 56.85 1ci5 s TYR 75 Cb -0.17 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1ci5 s TYR 75 CO 0.12 0.61 -0.26 -2.00 -1.11 0.00 0.00 175.55 172.91 1ci5 s GLU 76 N -2.11 1.43 -0.02 -0.62 -6.30 0.32 -0.40 118.70 111.01 1ci5 s GLU 76 Ca 0.29 -1.29 0.02 0.00 -2.50 0.00 0.00 54.97 51.49 1ci5 s GLU 76 Cb -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 34.13 32.15 1ci5 s GLU 76 CO 0.21 0.45 -0.08 0.00 0.02 0.00 0.00 175.26 175.86 1ci5 s MET 77 N -1.91 0.83 -0.10 4.30 0.23 0.05 0.13 119.30 122.84 1ci5 s MET 77 Ca 0.13 -0.26 0.03 0.00 -1.03 0.00 0.00 55.69 54.56 1ci5 s MET 77 Cb -0.10 -0.79 0.01 0.00 -1.53 0.00 0.00 34.83 32.42 1ci5 s MET 77 CO 0.05 0.10 -0.19 -2.00 -2.03 0.00 0.00 175.02 170.95 1ci5 s GLU 78 N 0.20 2.49 -0.05 3.16 -6.30 0.30 -2.19 118.70 116.31 1ci5 s GLU 78 Ca -0.03 -0.68 -0.02 0.00 -2.50 0.00 0.00 54.97 51.74 1ci5 s GLU 78 Cb -0.08 -1.98 0.04 0.00 0.00 0.00 0.00 34.13 32.11 1ci5 s GLU 78 CO 0.00 0.06 0.10 0.45 0.02 0.00 0.00 175.26 175.89 1ci5 s SER 79 N 0.63 0.24 0.33 -1.70 0.15 -1.26 0.27 113.70 112.35 1ci5 s SER 79 Ca -0.14 0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.78 1ci5 s SER 79 Cb -0.16 0.08 0.76 0.00 -1.71 0.00 0.00 66.02 64.98 1ci5 s SER 79 CO 0.04 -0.17 1.84 -0.65 1.20 0.00 0.00 173.24 175.50 1ci5 h PRO 80 N 7.59 0.74 -0.05 5.44 0.11 -1.93 0.34 132.00 144.23 1ci5 h PRO 80 Ca -0.36 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.55 1ci5 h PRO 80 Cb 1.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1ci5 h PRO 80 CO 0.36 0.49 -0.69 -0.91 -0.21 0.00 0.00 178.00 177.05 1ci5 h ASN 81 N 0.76 0.30 -4.02 -2.05 4.21 -1.96 -3.45 115.58 109.37 1ci5 h ASN 81 Ca 0.49 -0.19 -0.53 0.00 1.21 0.00 0.00 56.30 57.27 1ci5 h ASN 81 Cb 0.73 -0.09 0.19 0.00 -1.12 0.00 0.00 38.32 38.04 1ci5 h ASN 81 CO -0.25 0.90 0.10 -0.38 -1.29 0.00 0.00 177.43 176.51 1ci5 n ILE 82 N -3.81 1.09 -0.21 2.81 2.08 0.11 -4.91 119.36 116.52 1ci5 n ILE 82 Ca -0.03 -0.16 -0.06 0.00 0.56 0.00 0.00 62.75 63.06 1ci5 n ILE 82 Cb 0.68 -1.01 0.04 0.00 -0.75 0.00 0.00 39.64 38.59 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 -1.27 1.15 0.00 1.39 2.02 -1.88 -3.46 112.91 110.86 1ci5 h THR 83 Ca -0.45 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1ci5 h THR 83 Cb 1.29 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1ci5 h THR 83 CO 0.42 0.15 0.00 0.47 0.37 0.00 0.00 175.52 176.93 1ci5 n ASP 84 N -4.68 0.00 -3.53 4.18 8.00 -1.26 -5.13 116.55 114.13 1ci5 n ASP 84 Ca 0.04 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.47 1ci5 n ASP 84 Cb 0.02 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ci5 s SER 85 N 1.01 -0.30 0.10 -2.24 1.04 -1.26 -4.40 113.70 107.65 1ci5 s SER 85 Ca 0.00 -0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.46 1ci5 s SER 85 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1ci5 s SER 85 CO 0.00 -0.50 -0.09 -0.04 0.98 0.00 0.00 173.24 173.58 1ci5 s MET 86 N -2.91 0.84 -0.43 4.02 -1.94 -0.93 -4.99 119.30 112.96 1ci5 s MET 86 Ca 0.06 -1.18 0.02 0.00 -1.71 0.00 0.00 55.69 52.89 1ci5 s MET 86 Cb -0.01 -0.48 0.14 0.00 2.01 0.00 0.00 34.83 36.49 1ci5 s MET 86 CO -0.08 0.07 0.26 0.15 -0.01 0.00 0.00 175.02 175.41 1ci5 s LYS 87 N -2.92 1.14 -0.22 2.03 3.01 -1.26 -0.77 119.74 120.76 1ci5 s LYS 87 Ca 0.06 -1.94 -0.28 0.00 -1.01 0.00 0.00 55.97 52.80 1ci5 s LYS 87 Cb -0.02 -2.05 0.00 0.00 -1.01 0.00 0.00 37.83 34.75 1ci5 s LYS 87 CO -0.01 -1.21 0.99 -0.06 0.51 0.00 0.00 175.35 175.57 1ci5 s PHE 88 N 0.37 3.36 0.17 3.18 0.40 0.47 -3.71 117.98 122.21 1ci5 s PHE 88 Ca 0.20 1.41 -0.28 0.00 -0.60 0.00 0.00 56.93 57.66 1ci5 s PHE 88 Cb -0.19 -3.21 -0.08 0.00 0.51 0.00 0.00 43.02 40.05 1ci5 s PHE 88 CO -0.03 -0.43 0.88 0.12 0.70 0.00 0.00 175.22 176.46 1ci5 s PHE 89 N 2.95 3.90 -0.09 0.36 2.19 0.41 -0.92 117.98 126.79 1ci5 s PHE 89 Ca 0.42 1.77 0.02 0.00 0.33 0.00 0.00 56.93 59.47 1ci5 s PHE 89 Cb -0.15 -2.92 -0.02 0.00 -1.31 0.00 0.00 43.02 38.62 1ci5 s PHE 89 CO 0.08 0.40 -0.16 -1.17 1.83 0.00 0.00 175.22 176.20 1ci5 s LEU 90 N -0.78 2.61 -0.14 6.12 2.96 -0.85 0.14 118.68 128.74 1ci5 s LEU 90 Ca 0.41 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1ci5 s LEU 90 Cb -0.24 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1ci5 s LEU 90 CO 0.29 0.24 -0.19 -0.31 -1.32 0.00 0.00 176.35 175.05 1ci5 s TYR 91 N -0.10 2.50 -0.18 5.38 2.02 -0.61 -2.75 117.35 123.61 1ci5 s TYR 91 Ca -0.02 -1.31 -0.15 0.00 -0.37 0.00 0.00 57.07 55.21 1ci5 s TYR 91 Cb -0.14 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1ci5 s TYR 91 CO 0.04 -0.63 0.36 0.08 -1.57 0.00 0.00 175.55 173.83 1ci5 s VAL 92 N 1.01 5.24 0.44 0.71 1.01 -1.26 0.11 120.40 127.67 1ci5 s VAL 92 Ca -0.03 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1ci5 s VAL 92 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ci5 s VAL 92 CO -0.05 0.32 0.05 -0.83 0.00 0.00 0.00 175.10 174.59 1ci5 s GLY 93 N 0.77 2.72 -0.04 4.51 0.00 0.84 -4.91 107.32 111.21 1ci5 s GLY 93 Ca 0.19 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 1ci5 s GLY 93 CO 0.07 -2.02 0.68 0.83 0.00 0.00 0.00 173.10 172.65 1ci5 h GLU 94 N 1.63 0.29 0.00 2.90 4.39 -1.95 0.99 114.58 122.83 1ci5 h GLU 94 Ca -0.41 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 58.80 1ci5 h GLU 94 Cb 1.28 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1ci5 h GLU 94 CO 0.69 1.16 0.00 0.45 -1.16 0.00 0.00 179.01 180.15