#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cc5 n GLN 2 N 0.00 0.35 -4.16 9.51 10.64 -1.08 -4.59 117.38 128.06 3cc5 n GLN 2 Ca 0.00 0.09 -0.34 0.00 -1.83 0.00 0.00 57.00 54.92 3cc5 n GLN 2 Cb 0.00 -1.26 -0.14 0.00 -0.86 0.00 0.00 30.24 27.98 3cc5 n GLN 2 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3cc5 s LYS 3 N -2.29 3.30 -0.04 2.61 1.02 -1.13 -4.99 119.74 118.23 3cc5 s LYS 3 Ca -0.20 -0.68 -0.20 0.00 0.02 0.00 0.00 55.97 54.92 3cc5 s LYS 3 Cb 0.05 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 3cc5 s LYS 3 CO 0.32 -0.10 0.57 0.95 -0.92 0.00 0.00 175.35 176.17 3cc5 s THR 4 N 1.17 4.99 0.43 2.17 -4.23 -1.25 -2.47 115.64 116.46 3cc5 s THR 4 Ca 0.02 1.18 -0.25 0.00 -1.18 0.00 0.00 61.69 61.45 3cc5 s THR 4 Cb -0.14 -3.90 -0.08 0.00 1.34 0.00 0.00 72.50 69.71 3cc5 s THR 4 CO -0.03 0.39 1.32 -2.16 -0.54 0.00 0.00 174.62 173.60 3cc5 s PRO 5 N 0.04 3.82 -0.04 3.99 0.04 -1.26 -4.64 135.00 136.94 3cc5 s PRO 5 Ca 0.30 2.19 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 3cc5 s PRO 5 Cb -0.17 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3cc5 s PRO 5 CO 0.15 -0.63 0.04 -0.65 0.04 0.00 0.00 177.00 175.96 3cc5 s GLN 6 N -2.38 3.01 -0.01 4.56 -1.52 -0.61 -4.92 119.66 117.79 3cc5 s GLN 6 Ca 0.60 -0.45 0.03 0.00 -1.95 0.00 0.00 55.36 53.59 3cc5 s GLN 6 Cb -0.39 -2.83 -0.01 0.00 -0.22 0.00 0.00 33.01 29.57 3cc5 s GLN 6 CO 0.49 0.67 -0.10 0.42 -0.25 0.00 0.00 175.29 176.52 3cc5 s ILE 7 N -1.05 0.83 -0.05 1.08 1.01 -1.26 -1.50 121.20 120.26 3cc5 s ILE 7 Ca 0.18 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3cc5 s ILE 7 Cb -0.12 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3cc5 s ILE 7 CO 0.08 0.24 -0.12 -1.10 0.00 0.00 0.00 174.94 174.04 3cc5 s GLN 8 N -0.21 1.43 -0.11 2.79 -0.21 -0.67 -4.99 119.66 117.68 3cc5 s GLN 8 Ca 0.03 -0.41 0.02 0.00 0.02 0.00 0.00 55.36 55.03 3cc5 s GLN 8 Cb -0.04 -1.24 -0.01 0.00 1.00 0.00 0.00 33.01 32.72 3cc5 s GLN 8 CO -0.00 0.11 -0.18 0.08 -2.12 0.00 0.00 175.29 173.17 3cc5 s VAL 9 N 0.36 2.58 -0.00 1.09 1.01 -1.26 -0.81 120.40 123.36 3cc5 s VAL 9 Ca -0.08 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 3cc5 s VAL 9 Cb -0.12 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.32 3cc5 s VAL 9 CO 0.02 0.54 0.87 -0.72 0.00 0.00 0.00 175.10 175.81 3cc5 s TYR 10 N 0.29 -0.37 0.33 5.22 1.13 -0.72 -4.55 117.35 118.68 3cc5 s TYR 10 Ca -0.13 0.26 -0.07 0.00 -1.41 0.00 0.00 57.07 55.71 3cc5 s TYR 10 Cb -0.17 0.53 -0.06 0.00 -1.10 0.00 0.00 41.96 41.17 3cc5 s TYR 10 CO 0.07 -0.55 0.64 -1.54 -2.51 0.00 0.00 175.55 171.65 3cc5 s SER 11 N -2.40 6.49 0.15 -0.18 1.04 -1.26 -0.16 113.70 117.39 3cc5 s SER 11 Ca 0.04 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.24 3cc5 s SER 11 Cb -0.01 -2.22 0.03 0.00 0.10 0.00 0.00 66.02 63.92 3cc5 s SER 11 CO -0.08 -0.26 1.62 -0.09 0.98 0.00 0.00 173.24 175.41 3cc5 h ARG 12 N 1.59 0.86 -6.39 4.02 2.43 -1.31 -3.45 114.38 112.13 3cc5 h ARG 12 Ca -0.47 -0.25 -0.62 0.00 -0.81 0.00 0.00 59.98 57.82 3cc5 h ARG 12 Cb 1.19 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 3cc5 h ARG 12 CO 0.65 0.87 -0.68 -1.01 -1.51 0.00 0.00 179.97 178.29 3cc5 s HIS 13 N -5.11 2.80 0.16 2.20 3.76 -1.26 -5.04 115.29 112.79 3cc5 s HIS 13 Ca -0.12 -0.15 -0.34 0.00 -0.15 0.00 0.00 55.06 54.30 3cc5 s HIS 13 Cb 0.12 -1.38 -0.15 0.00 1.11 0.00 0.00 32.58 32.28 3cc5 s HIS 13 CO 0.82 0.50 1.41 -2.30 -0.85 0.00 0.00 174.74 174.31 3cc5 n PRO 14 N 0.07 1.68 -2.49 8.40 -0.02 -1.26 -4.87 135.00 136.50 3cc5 n PRO 14 Ca -0.10 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 3cc5 n PRO 14 Cb 0.55 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3cc5 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3cc5 s PRO 15 N 0.30 4.59 -0.08 0.52 0.04 -1.26 -5.03 135.00 134.09 3cc5 s PRO 15 Ca 0.77 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3cc5 s PRO 15 Cb -0.78 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 30.52 3cc5 s PRO 15 CO 0.45 0.08 -0.05 -1.21 0.04 0.00 0.00 177.00 176.31 3cc5 s GLU 16 N -0.53 1.11 0.21 4.56 2.02 -1.26 -5.11 118.70 119.69 3cc5 s GLU 16 Ca 0.49 -0.13 -0.32 0.00 0.02 0.00 0.00 54.97 55.02 3cc5 s GLU 16 Cb -0.30 -1.20 -0.13 0.00 0.10 0.00 0.00 34.13 32.59 3cc5 s GLU 16 CO 0.36 -0.19 1.52 0.09 0.02 0.00 0.00 175.26 177.06 3cc5 n ASN 17 N 4.63 3.09 0.00 -0.19 3.02 -1.26 -1.41 115.26 123.15 3cc5 n ASN 17 Ca -0.15 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 3cc5 n ASN 17 Cb 0.50 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3cc5 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cc5 n GLY 18 N 2.84 1.90 3.63 7.41 0.00 0.39 -4.98 105.19 116.39 3cc5 n GLY 18 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3cc5 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cc5 s LYS 19 N -0.41 3.87 0.50 1.61 1.02 -0.50 -4.96 119.74 120.86 3cc5 s LYS 19 Ca 0.00 -0.36 -0.23 0.00 0.02 0.00 0.00 55.97 55.41 3cc5 s LYS 19 Cb 0.00 -3.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 3cc5 s LYS 19 CO 0.00 0.32 1.26 -1.25 -0.92 0.00 0.00 175.35 174.76 3cc5 s PRO 20 N 0.23 3.48 0.00 -1.68 0.04 -1.26 -4.14 135.00 131.67 3cc5 s PRO 20 Ca 0.03 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3cc5 s PRO 20 Cb -0.12 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3cc5 s PRO 20 CO 0.01 -0.85 0.00 -1.71 0.04 0.00 0.00 177.00 174.49 3cc5 n ASN 21 N -0.70 0.00 -3.86 6.66 2.85 0.10 -4.98 115.26 115.34 3cc5 n ASN 21 Ca 0.08 -0.94 -0.18 0.00 -0.11 0.00 0.00 54.58 53.43 3cc5 n ASN 21 Cb 0.46 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.32 3cc5 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3cc5 s ILE 22 N -2.56 0.35 -0.13 -1.44 1.09 -1.26 -1.78 121.20 115.47 3cc5 s ILE 22 Ca 0.00 -0.02 -0.11 0.00 -1.10 0.00 0.00 60.65 59.41 3cc5 s ILE 22 Cb 0.00 -0.41 -0.05 0.00 -1.06 0.00 0.00 42.46 40.95 3cc5 s ILE 22 CO 0.00 0.18 0.24 -0.22 -0.10 0.00 0.00 174.94 175.04 3cc5 s LEU 23 N 0.91 4.32 0.10 2.97 2.96 -0.37 -0.75 118.68 128.82 3cc5 s LEU 23 Ca -0.11 0.52 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 3cc5 s LEU 23 Cb -0.14 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3cc5 s LEU 23 CO -0.01 0.24 -0.11 0.20 -1.32 0.00 0.00 176.35 175.35 3cc5 s ASN 24 N -0.22 4.33 -0.23 3.68 0.01 0.78 -1.70 114.94 121.58 3cc5 s ASN 24 Ca 0.16 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 3cc5 s ASN 24 Cb -0.13 -0.80 0.07 0.00 0.41 0.00 0.00 41.25 40.80 3cc5 s ASN 24 CO 0.04 0.18 0.02 0.00 -1.51 0.00 0.00 177.10 175.84 3cc5 s TYR 26 N 1.65 3.21 -0.08 0.00 5.04 0.01 -1.34 117.35 125.84 3cc5 s TYR 26 Ca 0.00 0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.68 3cc5 s TYR 26 Cb -0.18 -2.39 -0.01 0.00 0.35 0.00 0.00 41.96 39.74 3cc5 s TYR 26 CO -0.11 -0.22 -0.23 0.08 -1.34 0.00 0.00 175.55 173.74 3cc5 s VAL 27 N 1.74 2.23 0.26 3.14 1.01 -0.30 -1.67 120.40 126.80 3cc5 s VAL 27 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3cc5 s VAL 27 Cb -0.16 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3cc5 s VAL 27 CO 0.10 0.56 0.24 0.42 0.00 0.00 0.00 175.10 176.43 3cc5 s THR 28 N 0.09 0.00 -1.45 3.92 -4.23 -0.57 -1.26 115.64 112.15 3cc5 s THR 28 Ca -0.10 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3cc5 s THR 28 Cb -0.16 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3cc5 s THR 28 CO 0.06 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.14 3cc5 n GLN 29 N -0.41 -1.32 -4.34 3.99 1.13 -1.12 -1.58 117.38 113.74 3cc5 n GLN 29 Ca 0.03 0.83 -0.29 0.00 -1.94 0.00 0.00 57.00 55.63 3cc5 n GLN 29 Cb 0.64 -5.24 -0.12 0.00 0.11 0.00 0.00 30.24 25.64 3cc5 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3cc5 s PHE 30 N -2.81 2.46 -0.25 1.08 -0.71 -1.20 -3.86 117.98 112.68 3cc5 s PHE 30 Ca 0.00 -0.30 -0.18 0.00 -1.04 0.00 0.00 56.93 55.41 3cc5 s PHE 30 Cb 0.00 -1.30 0.07 0.00 -1.21 0.00 0.00 43.02 40.58 3cc5 s PHE 30 CO 0.00 0.39 0.64 -1.58 -1.34 0.00 0.00 175.22 173.33 3cc5 s HIS 31 N -1.20 -0.89 0.97 3.49 2.46 -1.03 -1.67 115.29 117.43 3cc5 s HIS 31 Ca 0.17 1.90 -0.12 0.00 0.47 0.00 0.00 55.06 57.48 3cc5 s HIS 31 Cb -0.10 0.46 0.17 0.00 -0.13 0.00 0.00 32.58 32.98 3cc5 s HIS 31 CO 0.09 -0.44 1.10 -1.25 -2.47 0.00 0.00 174.74 171.77 3cc5 s PRO 32 N 1.16 0.63 0.09 2.88 0.04 -1.26 0.12 135.00 138.67 3cc5 s PRO 32 Ca -0.06 0.47 0.19 0.00 0.04 0.00 0.00 61.00 61.64 3cc5 s PRO 32 Cb -0.05 -1.76 0.81 0.00 0.04 0.00 0.00 34.50 33.53 3cc5 s PRO 32 CO -0.12 -2.58 1.61 -0.35 0.04 0.00 0.00 177.00 175.60 3cc5 n PRO 33 N -4.06 0.08 -2.51 0.56 -0.04 -1.26 -4.74 135.00 123.02 3cc5 n PRO 33 Ca 0.06 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 3cc5 n PRO 33 Cb 0.58 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 3cc5 n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3cc5 s HIS 34 N -3.11 3.25 -0.02 0.54 2.46 -1.26 -5.00 115.29 112.15 3cc5 s HIS 34 Ca 0.07 1.29 -0.16 0.00 0.47 0.00 0.00 55.06 56.74 3cc5 s HIS 34 Cb 0.11 -3.37 0.03 0.00 -0.13 0.00 0.00 32.58 29.21 3cc5 s HIS 34 CO 0.35 -1.08 0.34 -1.50 -2.47 0.00 0.00 174.74 170.38 3cc5 s ILE 35 N 2.21 0.05 -0.12 0.89 2.07 -1.26 -4.68 121.20 120.36 3cc5 s ILE 35 Ca 0.54 -0.42 0.03 0.00 -1.41 0.00 0.00 60.65 59.39 3cc5 s ILE 35 Cb -0.23 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.73 3cc5 s ILE 35 CO 0.21 -0.23 -0.23 -1.61 -1.91 0.00 0.00 174.94 171.17 3cc5 s GLU 36 N -1.25 3.02 -0.06 3.50 2.02 -0.51 -4.99 118.70 120.43 3cc5 s GLU 36 Ca -0.13 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.03 3cc5 s GLU 36 Cb -0.05 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.82 3cc5 s GLU 36 CO 0.04 0.07 -0.14 0.42 0.02 0.00 0.00 175.26 175.68 3cc5 s ILE 37 N 0.60 1.21 -0.02 -1.63 1.01 -1.26 -0.35 121.20 120.77 3cc5 s ILE 37 Ca -0.12 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3cc5 s ILE 37 Cb -0.17 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 3cc5 s ILE 37 CO 0.03 0.37 -0.16 -1.10 0.00 0.00 0.00 174.94 174.08 3cc5 s GLN 38 N 0.44 1.41 -0.07 2.79 -0.21 0.43 -4.97 119.66 119.48 3cc5 s GLN 38 Ca -0.11 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 54.71 3cc5 s GLN 38 Cb -0.14 -1.31 -0.03 0.00 1.00 0.00 0.00 33.01 32.53 3cc5 s GLN 38 CO 0.03 0.30 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.80 3cc5 s MET 39 N -0.23 2.75 -0.04 2.91 -1.94 -1.26 0.24 119.30 121.73 3cc5 s MET 39 Ca 0.03 -0.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.49 3cc5 s MET 39 Cb -0.08 -2.59 0.00 0.00 2.01 0.00 0.00 34.83 34.18 3cc5 s MET 39 CO 0.00 0.66 -0.12 -0.51 -0.01 0.00 0.00 175.02 175.04 3cc5 s LEU 40 N -0.79 1.77 -0.22 -0.03 1.43 -0.34 -0.59 118.68 119.90 3cc5 s LEU 40 Ca 0.12 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3cc5 s LEU 40 Cb -0.11 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3cc5 s LEU 40 CO 0.01 0.08 -0.11 -0.75 0.23 0.00 0.00 176.35 175.81 3cc5 s LYS 41 N 0.29 2.98 -1.36 1.70 2.20 0.17 -1.45 119.74 124.28 3cc5 s LYS 41 Ca -0.06 -0.86 -0.08 0.00 -0.36 0.00 0.00 55.97 54.60 3cc5 s LYS 41 Cb -0.11 -2.83 0.05 0.00 -1.51 0.00 0.00 37.83 33.43 3cc5 s LYS 41 CO 0.02 -0.29 0.53 0.09 -0.36 0.00 0.00 175.35 175.33 3cc5 n ASN 42 N 4.67 -4.42 0.00 1.43 3.02 0.12 -1.44 115.26 118.63 3cc5 n ASN 42 Ca -0.18 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3cc5 n ASN 42 Cb 0.49 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 3cc5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cc5 n GLY 43 N -1.28 1.84 3.88 7.41 0.00 -1.26 -5.04 105.19 110.74 3cc5 n GLY 43 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3cc5 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cc5 s LYS 44 N -0.39 3.63 0.24 1.61 -0.14 -0.52 -5.01 119.74 119.15 3cc5 s LYS 44 Ca 0.00 0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.32 3cc5 s LYS 44 Cb 0.00 -3.10 -0.10 0.00 -1.68 0.00 0.00 37.83 32.96 3cc5 s LYS 44 CO 0.00 0.66 1.40 0.15 -0.76 0.00 0.00 175.35 176.80 3cc5 s LYS 45 N -1.61 4.30 -0.04 1.68 1.02 -1.26 -0.65 119.74 123.17 3cc5 s LYS 45 Ca 0.26 2.23 -0.20 0.00 0.02 0.00 0.00 55.97 58.29 3cc5 s LYS 45 Cb -0.14 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 3cc5 s LYS 45 CO 0.15 -0.37 0.57 0.42 -0.92 0.00 0.00 175.35 175.19 3cc5 s ILE 46 N 0.00 5.01 -0.14 2.17 1.01 0.24 -4.85 121.20 124.64 3cc5 s ILE 46 Ca 0.58 1.17 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 3cc5 s ILE 46 Cb -0.40 -3.90 -0.25 0.00 0.01 0.00 0.00 42.46 37.91 3cc5 s ILE 46 CO 0.42 0.38 0.67 1.55 0.00 0.00 0.00 174.94 177.97 3cc5 h PRO 47 N 6.01 0.03 -2.54 2.79 0.13 -1.94 -3.39 132.00 133.10 3cc5 h PRO 47 Ca -0.44 -0.06 -0.69 0.00 -0.87 0.00 0.00 66.00 63.95 3cc5 h PRO 47 Cb 1.20 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 3cc5 h PRO 47 CO 0.71 1.03 2.15 1.63 -0.23 0.00 0.00 178.00 183.29 3cc5 n LYS 48 N -4.51 4.14 -3.01 0.86 4.01 -1.26 -4.94 118.16 113.44 3cc5 n LYS 48 Ca -0.15 -3.14 -0.40 0.00 -0.51 0.00 0.00 58.31 54.11 3cc5 n LYS 48 Cb 0.56 -2.55 -0.05 0.00 -0.51 0.00 0.00 35.03 32.48 3cc5 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3cc5 s VAL 49 N -1.03 4.98 0.20 -0.18 1.01 -1.26 -4.75 120.40 119.37 3cc5 s VAL 49 Ca 0.56 1.44 -0.06 0.00 0.00 0.00 0.00 61.98 63.92 3cc5 s VAL 49 Cb 0.22 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3cc5 s VAL 49 CO -0.11 0.14 0.46 -1.61 0.00 0.00 0.00 175.10 173.98 3cc5 s GLU 50 N 1.56 3.67 -0.03 2.72 0.41 0.53 -4.92 118.70 122.64 3cc5 s GLU 50 Ca 0.35 0.03 0.03 0.00 -0.41 0.00 0.00 54.97 54.97 3cc5 s GLU 50 Cb -0.17 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 3cc5 s GLU 50 CO 0.14 0.37 -0.09 1.41 -0.49 0.00 0.00 175.26 176.60 3cc5 s MET 51 N -2.89 1.00 0.95 1.61 1.75 -1.26 -0.85 119.30 119.62 3cc5 s MET 51 Ca 0.43 -0.32 -0.11 0.00 -1.25 0.00 0.00 55.69 54.44 3cc5 s MET 51 Cb -0.12 -0.93 0.16 0.00 2.84 0.00 0.00 34.83 36.79 3cc5 s MET 51 CO 0.25 0.12 1.09 -1.54 -0.65 0.00 0.00 175.02 174.29 3cc5 s SER 52 N 0.19 2.79 0.54 1.11 1.04 0.20 -5.00 113.70 114.57 3cc5 s SER 52 Ca -0.03 1.76 -0.15 0.00 0.48 0.00 0.00 55.95 58.00 3cc5 s SER 52 Cb -0.09 -2.37 -0.07 0.00 0.10 0.00 0.00 66.02 63.59 3cc5 s SER 52 CO 0.01 -3.11 1.00 -1.81 0.98 0.00 0.00 173.24 170.30 3cc5 s ASP 53 N -2.95 6.49 -0.13 7.02 1.01 -1.26 -4.75 116.67 122.09 3cc5 s ASP 53 Ca 0.65 1.56 -0.37 0.00 0.71 0.00 0.00 52.55 55.10 3cc5 s ASP 53 Cb -0.21 -2.50 -0.14 0.00 1.01 0.00 0.00 42.92 41.07 3cc5 s ASP 53 CO 0.59 -0.68 1.75 0.80 0.21 0.00 0.00 175.17 177.83 3cc5 n MET 54 N -1.83 1.64 -4.19 8.23 0.00 -1.26 -4.92 117.12 114.77 3cc5 n MET 54 Ca 0.07 0.60 -0.12 0.00 -0.00 0.00 0.00 57.70 58.25 3cc5 n MET 54 Cb 0.54 -2.35 -0.10 0.00 0.00 0.00 0.00 33.22 31.31 3cc5 n MET 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 3cc5 s SER 55 N 3.24 1.32 0.14 6.12 0.01 -1.24 -5.07 113.70 118.22 3cc5 s SER 55 Ca 0.93 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 57.19 3cc5 s SER 55 Cb -0.88 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 3cc5 s SER 55 CO 0.56 -0.44 -0.03 0.72 0.41 0.00 0.00 173.24 174.47 3cc5 s PHE 56 N -3.55 1.08 0.48 2.43 -0.12 -1.26 -1.56 117.98 115.49 3cc5 s PHE 56 Ca 0.14 -0.97 0.09 0.00 -0.05 0.00 0.00 56.93 56.13 3cc5 s PHE 56 Cb 0.05 -0.62 0.04 0.00 -0.63 0.00 0.00 43.02 41.86 3cc5 s PHE 56 CO -0.03 -0.18 0.63 -1.12 -0.05 0.00 0.00 175.22 174.47 3cc5 s SER 57 N -3.12 5.38 0.00 1.98 0.01 0.31 -4.94 113.70 113.31 3cc5 s SER 57 Ca 0.19 -0.63 0.12 0.00 1.31 0.00 0.00 55.95 56.94 3cc5 s SER 57 Cb 0.06 -0.26 0.53 0.00 0.21 0.00 0.00 66.02 66.55 3cc5 s SER 57 CO 0.00 -0.98 1.34 2.29 0.41 0.00 0.00 173.24 176.31 3cc5 n LYS 58 N -1.97 0.06 -0.10 12.44 2.85 -1.26 -0.51 118.16 129.67 3cc5 n LYS 58 Ca 0.10 0.26 0.12 0.00 -1.05 0.00 0.00 58.31 57.73 3cc5 n LYS 58 Cb 0.60 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.78 3cc5 n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3cc5 n ASP 59 N -1.42 2.45 0.00 -5.58 5.68 -1.26 -4.95 116.55 111.47 3cc5 n ASP 59 Ca 0.04 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 3cc5 n ASP 59 Cb 0.12 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3cc5 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3cc5 n TRP 60 N 0.85 0.00 -2.30 2.11 7.02 0.33 -5.04 117.44 120.42 3cc5 n TRP 60 Ca 0.17 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.33 3cc5 n TRP 60 Cb 0.47 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.33 3cc5 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3cc5 s SER 61 N -2.44 6.50 0.30 -0.99 1.04 -1.26 -4.61 113.70 112.25 3cc5 s SER 61 Ca 0.00 1.57 0.03 0.00 0.48 0.00 0.00 55.95 58.03 3cc5 s SER 61 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 3cc5 s SER 61 CO 0.00 -0.67 0.46 -0.36 0.98 0.00 0.00 173.24 173.65 3cc5 s PHE 62 N -2.69 3.40 0.07 5.02 0.08 -0.67 -0.53 117.98 122.67 3cc5 s PHE 62 Ca 0.59 0.09 -0.10 0.00 0.12 0.00 0.00 56.93 57.63 3cc5 s PHE 62 Cb -0.10 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 3cc5 s PHE 62 CO 0.35 0.22 0.22 1.52 -0.10 0.00 0.00 175.22 177.42 3cc5 s TYR 63 N -2.16 0.07 -0.09 0.36 1.13 -0.60 -2.78 117.35 113.28 3cc5 s TYR 63 Ca 0.38 -0.40 -0.20 0.00 -1.41 0.00 0.00 57.07 55.44 3cc5 s TYR 63 Cb -0.09 -0.01 0.05 0.00 -1.10 0.00 0.00 41.96 40.81 3cc5 s TYR 63 CO 0.32 -0.52 0.49 -1.50 -2.51 0.00 0.00 175.55 171.83 3cc5 s ILE 64 N -3.38 0.02 -0.26 -3.49 2.07 -0.39 -3.65 121.20 112.13 3cc5 s ILE 64 Ca 0.01 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.09 3cc5 s ILE 64 Cb 0.02 -0.76 0.04 0.00 0.13 0.00 0.00 42.46 41.90 3cc5 s ILE 64 CO -0.08 -0.09 -0.08 -0.22 -1.91 0.00 0.00 174.94 172.56 3cc5 s LEU 65 N -0.66 3.30 -0.01 8.50 2.96 -1.26 -1.15 118.68 130.36 3cc5 s LEU 65 Ca -0.08 -1.12 -0.17 0.00 -0.22 0.00 0.00 54.13 52.55 3cc5 s LEU 65 Cb -0.03 -1.61 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 3cc5 s LEU 65 CO 0.04 -0.16 0.47 0.00 -1.32 0.00 0.00 176.35 175.38 3cc5 s ALA 66 N 1.23 3.62 0.04 5.97 0.00 -0.45 -0.63 121.76 131.54 3cc5 s ALA 66 Ca -0.04 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 3cc5 s ALA 66 Cb -0.18 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.44 3cc5 s ALA 66 CO -0.05 0.35 0.23 -3.38 0.00 0.00 0.00 175.76 172.91 3cc5 s HIS 67 N -0.71 0.00 -0.15 0.00 -3.43 -0.03 -0.53 115.29 110.44 3cc5 s HIS 67 Ca 0.26 -0.19 -0.16 0.00 -0.80 0.00 0.00 55.06 54.16 3cc5 s HIS 67 Cb -0.17 0.01 0.04 0.00 -1.43 0.00 0.00 32.58 31.03 3cc5 s HIS 67 CO 0.14 -0.45 0.45 -0.08 -2.00 0.00 0.00 174.74 172.80 3cc5 s THR 68 N -2.53 0.00 0.44 -5.38 -1.32 -0.69 -0.34 115.64 105.82 3cc5 s THR 68 Ca -0.05 -0.04 -0.25 0.00 -1.21 0.00 0.00 61.69 60.14 3cc5 s THR 68 Cb -0.01 -0.65 -0.08 0.00 -1.51 0.00 0.00 72.50 70.25 3cc5 s THR 68 CO -0.04 -0.02 1.36 -1.61 -2.21 0.00 0.00 174.62 172.10 3cc5 s GLU 69 N 0.07 3.77 0.05 7.08 2.02 -1.26 -1.24 118.70 129.18 3cc5 s GLU 69 Ca -0.01 2.27 -0.23 0.00 0.02 0.00 0.00 54.97 57.01 3cc5 s GLU 69 Cb -0.03 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.59 3cc5 s GLU 69 CO 0.01 -0.69 0.55 -0.59 0.02 0.00 0.00 175.26 174.56 3cc5 s PHE 70 N -1.25 -0.46 -0.32 1.61 -0.71 -0.73 -4.83 117.98 111.28 3cc5 s PHE 70 Ca 0.60 0.54 0.02 0.00 -1.04 0.00 0.00 56.93 57.05 3cc5 s PHE 70 Cb -0.40 0.37 0.08 0.00 -1.21 0.00 0.00 43.02 41.86 3cc5 s PHE 70 CO 0.52 -0.66 0.02 0.99 -1.34 0.00 0.00 175.22 174.75 3cc5 s THR 71 N -2.42 2.52 0.68 -4.49 2.01 -1.26 0.02 115.64 112.70 3cc5 s THR 71 Ca -0.05 -1.95 -0.17 0.00 0.31 0.00 0.00 61.69 59.83 3cc5 s THR 71 Cb -0.01 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.84 3cc5 s THR 71 CO -0.01 -0.37 1.28 -0.81 -0.69 0.00 0.00 174.62 174.01 3cc5 n PRO 72 N 4.42 0.96 -4.23 4.92 -0.04 -1.26 -4.75 135.00 135.01 3cc5 n PRO 72 Ca -0.05 0.39 -0.18 0.00 -0.04 0.00 0.00 63.50 63.62 3cc5 n PRO 72 Cb 0.42 -2.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 3cc5 n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3cc5 s THR 73 N -1.51 0.00 0.38 0.52 -4.23 -1.26 -0.46 115.64 109.08 3cc5 s THR 73 Ca 0.81 -1.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 3cc5 s THR 73 Cb -0.37 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.20 3cc5 s THR 73 CO 0.42 0.00 2.02 -0.08 -0.54 0.00 0.00 174.62 176.44 3cc5 h GLU 74 N 2.18 0.63 0.00 3.99 4.81 -1.96 -3.34 114.58 120.89 3cc5 h GLU 74 Ca -0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3cc5 h GLU 74 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3cc5 h GLU 74 CO 0.38 0.44 -0.74 0.25 -0.73 0.00 0.00 179.01 178.61 3cc5 n THR 75 N -4.44 0.00 -2.09 0.32 -2.24 -1.26 -5.02 114.28 99.55 3cc5 n THR 75 Ca 0.04 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 3cc5 n THR 75 Cb 0.07 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 3cc5 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cc5 s ASP 76 N -1.83 6.74 -0.01 3.42 1.01 -1.25 -5.02 116.67 119.73 3cc5 s ASP 76 Ca -0.00 2.60 0.01 0.00 0.71 0.00 0.00 52.55 55.87 3cc5 s ASP 76 Cb 0.01 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3cc5 s ASP 76 CO 0.06 -0.62 -0.01 0.28 0.21 0.00 0.00 175.17 175.09 3cc5 s THR 77 N -0.22 4.10 0.11 -1.27 -1.32 -1.26 -4.75 115.64 111.03 3cc5 s THR 77 Ca 0.56 -0.58 0.07 0.00 -1.21 0.00 0.00 61.69 60.54 3cc5 s THR 77 Cb -0.40 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 3cc5 s THR 77 CO 0.44 0.41 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.76 3cc5 s TYR 78 N -1.05 1.65 0.24 9.09 1.51 -1.26 0.10 117.35 127.64 3cc5 s TYR 78 Ca 0.18 -0.45 -0.18 0.00 -1.01 0.00 0.00 57.07 55.61 3cc5 s TYR 78 Cb -0.11 -0.89 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 3cc5 s TYR 78 CO 0.09 0.20 0.61 0.00 -1.11 0.00 0.00 175.55 175.33 3cc5 s ALA 79 N -1.46 -0.94 -0.06 3.71 0.00 -0.53 -1.03 121.76 121.44 3cc5 s ALA 79 Ca 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3cc5 s ALA 79 Cb -0.09 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.95 3cc5 s ALA 79 CO 0.04 -0.92 -0.12 0.00 0.00 0.00 0.00 175.76 174.75 3cc5 s ARG 81 N 0.57 2.93 -0.11 0.00 3.52 0.14 -1.40 118.95 124.59 3cc5 s ARG 81 Ca -0.13 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.65 3cc5 s ARG 81 Cb -0.15 -2.23 0.01 0.00 -1.56 0.00 0.00 34.95 31.03 3cc5 s ARG 81 CO 0.03 0.17 -0.17 0.08 -0.81 0.00 0.00 175.30 174.61 3cc5 s VAL 82 N 0.35 1.61 -0.17 7.11 1.01 -0.30 -0.43 120.40 129.58 3cc5 s VAL 82 Ca -0.18 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 3cc5 s VAL 82 Cb -0.18 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3cc5 s VAL 82 CO 0.08 0.46 -0.04 -0.75 0.00 0.00 0.00 175.10 174.86 3cc5 s LYS 83 N 0.95 3.61 -0.02 2.72 2.20 0.53 -1.44 119.74 128.30 3cc5 s LYS 83 Ca -0.07 -0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 54.83 3cc5 s LYS 83 Cb -0.15 -2.92 0.03 0.00 -1.51 0.00 0.00 37.83 33.27 3cc5 s LYS 83 CO -0.02 0.17 0.35 -1.58 -0.36 0.00 0.00 175.35 173.91 3cc5 s HIS 84 N 0.55 -0.24 0.61 4.03 2.46 -1.26 -1.42 115.29 120.02 3cc5 s HIS 84 Ca -0.03 0.37 0.31 0.00 0.47 0.00 0.00 55.06 56.18 3cc5 s HIS 84 Cb -0.14 0.13 1.77 0.00 -0.13 0.00 0.00 32.58 34.21 3cc5 s HIS 84 CO 0.03 -0.41 2.13 -0.44 -2.47 0.00 0.00 174.74 173.58 3cc5 h ASP 85 N 3.78 0.00 1.08 9.88 3.32 -1.94 -2.21 116.42 130.32 3cc5 h ASP 85 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3cc5 h ASP 85 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3cc5 h ASP 85 CO 0.40 0.00 -0.08 -1.54 -1.72 0.00 0.00 179.24 176.30 3cc5 n SER 86 N -3.63 0.30 -4.39 6.45 3.41 -1.26 -4.55 113.62 109.94 3cc5 n SER 86 Ca 0.00 0.43 -0.32 0.00 -0.26 0.00 0.00 58.87 58.73 3cc5 n SER 86 Cb 0.27 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.60 3cc5 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3cc5 s MET 87 N -3.04 2.26 0.34 4.33 -1.94 -0.83 -4.87 119.30 115.55 3cc5 s MET 87 Ca 0.12 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 3cc5 s MET 87 Cb 0.17 -2.19 0.60 0.00 2.01 0.00 0.00 34.83 35.42 3cc5 s MET 87 CO 0.57 0.58 1.91 0.00 -0.01 0.00 0.00 175.02 178.08 3cc5 h ALA 88 N 5.32 1.41 -2.26 3.03 0.00 -1.87 -3.44 119.26 121.45 3cc5 h ALA 88 Ca -0.45 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3cc5 h ALA 88 Cb 1.14 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.59 3cc5 h ALA 88 CO 0.48 0.43 -0.68 -1.83 0.00 0.00 0.00 179.25 177.66 3cc5 s GLU 89 N -5.21 0.65 0.51 0.00 -1.05 -1.26 -5.12 118.70 107.21 3cc5 s GLU 89 Ca -0.08 -1.24 -0.21 0.00 -0.15 0.00 0.00 54.97 53.28 3cc5 s GLU 89 Cb 0.16 0.20 -0.09 0.00 -0.44 0.00 0.00 34.13 33.97 3cc5 s GLU 89 CO 0.77 -0.12 0.84 -2.30 0.95 0.00 0.00 175.26 175.40 3cc5 n PRO 90 N 0.09 0.95 -4.16 -4.83 -0.02 -1.26 -4.89 135.00 120.88 3cc5 n PRO 90 Ca -0.13 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 3cc5 n PRO 90 Cb 0.61 -1.95 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 3cc5 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3cc5 s LYS 91 N -2.20 3.59 -0.14 -0.52 2.20 -0.52 -4.92 119.74 117.22 3cc5 s LYS 91 Ca 0.68 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 55.72 3cc5 s LYS 91 Cb -0.49 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 3cc5 s LYS 91 CO 0.53 0.04 -0.05 0.99 -0.36 0.00 0.00 175.35 176.51 3cc5 s THR 92 N 0.89 3.83 -0.08 3.43 2.01 -1.26 -1.15 115.64 123.32 3cc5 s THR 92 Ca 0.00 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3cc5 s THR 92 Cb -0.14 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.72 3cc5 s THR 92 CO 0.02 0.51 -0.13 0.54 -0.69 0.00 0.00 174.62 174.87 3cc5 s VAL 93 N 0.20 1.20 0.20 3.82 0.11 -0.49 -4.98 120.40 120.46 3cc5 s VAL 93 Ca -0.03 -0.50 -0.13 0.00 -2.93 0.00 0.00 61.98 58.40 3cc5 s VAL 93 Cb -0.14 -1.11 -0.07 0.00 -1.53 0.00 0.00 36.38 33.53 3cc5 s VAL 93 CO 0.03 0.37 0.57 -0.31 -3.33 0.00 0.00 175.10 172.44 3cc5 s TYR 94 N 0.79 3.52 0.14 1.54 2.02 -1.26 -1.15 117.35 122.95 3cc5 s TYR 94 Ca -0.12 1.01 -0.31 0.00 -0.37 0.00 0.00 57.07 57.28 3cc5 s TYR 94 Cb -0.15 -2.35 -0.09 0.00 -0.40 0.00 0.00 41.96 38.97 3cc5 s TYR 94 CO 0.02 0.33 1.42 -0.46 -1.57 0.00 0.00 175.55 175.30 3cc5 s TRP 95 N -1.65 3.20 -0.31 2.71 -0.00 -0.20 -4.88 118.94 117.81 3cc5 s TRP 95 Ca 0.43 0.90 -0.04 0.00 -0.00 0.00 0.00 56.10 57.39 3cc5 s TRP 95 Cb -0.13 -3.74 0.04 0.00 -0.00 0.00 0.00 33.47 29.64 3cc5 s TRP 95 CO 0.20 -2.58 0.04 0.34 -0.00 0.00 0.00 176.95 174.95 3cc5 s ASP 96 N 1.02 5.03 0.00 5.86 -1.08 -1.26 -4.77 116.67 121.47 3cc5 s ASP 96 Ca 0.65 -1.12 0.04 0.00 -0.52 0.00 0.00 52.55 51.60 3cc5 s ASP 96 Cb -0.39 -1.79 0.20 0.00 -1.46 0.00 0.00 42.92 39.48 3cc5 s ASP 96 CO 0.32 -0.27 1.11 -2.11 0.52 0.00 0.00 175.17 174.74 3cc5 n ARG 97 N 4.73 0.01 -0.00 4.34 1.85 -1.26 -1.41 116.66 124.92 3cc5 n ARG 97 Ca -0.13 0.39 0.14 0.00 -1.00 0.00 0.00 57.85 57.25 3cc5 n ARG 97 Cb 0.45 -1.50 0.52 0.00 -1.05 0.00 0.00 32.46 30.88 3cc5 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3cc5 n ASP 98 N -1.46 1.51 0.00 2.89 8.00 -1.26 -4.85 116.55 121.39 3cc5 n ASP 98 Ca 0.01 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3cc5 n ASP 98 Cb 0.05 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3cc5 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04