#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 0.68 -4.07 9.51 10.64 -1.21 -4.35 117.38 128.57 3cc5 n GLN 2 Ca 0.00 -0.06 -0.33 0.00 -1.83 0.00 0.00 57.00 54.78 3cc5 n GLN 2 Cb 0.00 -1.53 -0.16 0.00 -0.86 0.00 0.00 30.24 27.70 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 -2.81 2.97 -0.00 2.61 1.02 -1.13 -4.99 119.74 117.41 3cc5 s LYS 3 Ca -0.09 -0.86 -0.23 0.00 0.02 0.00 0.00 55.97 54.81 3cc5 s LYS 3 Cb 0.08 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 3cc5 s LYS 3 CO 0.85 -0.25 0.71 0.95 -0.92 0.00 0.00 175.35 176.69 3cc5 s THR 4 N 1.30 4.87 0.46 2.17 -4.23 -1.25 -2.37 115.64 116.58 3cc5 s THR 4 Ca 0.04 1.48 -0.24 0.00 -1.18 0.00 0.00 61.69 61.79 3cc5 s THR 4 Cb -0.14 -4.05 -0.07 0.00 1.34 0.00 0.00 72.50 69.58 3cc5 s THR 4 CO -0.10 0.34 1.28 -2.16 -0.54 0.00 0.00 174.62 173.44 3cc5 s PRO 5 N 0.17 3.70 0.04 3.99 0.04 -1.26 -4.59 135.00 137.09 3cc5 s PRO 5 Ca 0.36 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.50 3cc5 s PRO 5 Cb -0.19 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 3cc5 s PRO 5 CO 0.20 -0.69 0.11 -0.65 0.04 0.00 0.00 177.00 176.01 3cc5 s GLN 6 N -2.53 3.07 -0.01 4.56 -1.52 -0.50 -4.92 119.66 117.80 3cc5 s GLN 6 Ca 0.62 -0.55 0.01 0.00 -1.95 0.00 0.00 55.36 53.50 3cc5 s GLN 6 Cb -0.36 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 29.58 3cc5 s GLN 6 CO 0.45 0.61 -0.05 0.42 -0.25 0.00 0.00 175.29 176.47 3cc5 s ILE 7 N -1.33 0.42 -0.06 1.08 1.01 -1.26 -1.79 121.20 119.28 3cc5 s ILE 7 Ca 0.28 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3cc5 s ILE 7 Cb -0.12 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.97 3cc5 s ILE 7 CO 0.20 0.14 -0.12 -1.10 0.00 0.00 0.00 174.94 174.06 3cc5 s GLN 8 N 0.15 1.58 -0.14 2.79 -0.21 -0.76 -5.00 119.66 118.07 3cc5 s GLN 8 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 54.96 3cc5 s GLN 8 Cb -0.05 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.61 3cc5 s GLN 8 CO -0.00 0.06 -0.15 0.08 -2.12 0.00 0.00 175.29 173.15 3cc5 s VAL 9 N 0.54 2.74 0.08 1.09 1.01 -1.26 -0.76 120.40 123.84 3cc5 s VAL 9 Ca -0.12 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 3cc5 s VAL 9 Cb -0.14 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.17 3cc5 s VAL 9 CO 0.03 0.52 0.76 -0.72 0.00 0.00 0.00 175.10 175.69 3cc5 s TYR 10 N 0.63 -0.41 0.38 5.22 1.13 -0.71 -4.52 117.35 119.06 3cc5 s TYR 10 Ca -0.08 0.22 -0.03 0.00 -1.41 0.00 0.00 57.07 55.77 3cc5 s TYR 10 Cb -0.16 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 3cc5 s TYR 10 CO 0.03 -0.71 0.64 -1.54 -2.51 0.00 0.00 175.55 171.45 3cc5 s SER 11 N -2.64 6.34 0.12 -0.18 1.04 -1.26 0.07 113.70 117.19 3cc5 s SER 11 Ca 0.04 0.71 -0.10 0.00 0.48 0.00 0.00 55.95 57.08 3cc5 s SER 11 Cb -0.01 -2.15 -0.11 0.00 0.10 0.00 0.00 66.02 63.86 3cc5 s SER 11 CO -0.10 -0.36 1.34 -0.09 0.98 0.00 0.00 173.24 175.01 3cc5 h ARG 12 N 0.87 0.72 -6.29 4.02 2.43 -1.42 -3.45 114.38 111.26 3cc5 h ARG 12 Ca -0.48 -0.58 -0.58 0.00 -0.81 0.00 0.00 59.98 57.52 3cc5 h ARG 12 Cb 1.20 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.77 3cc5 h ARG 12 CO 0.63 1.19 -0.66 -1.01 -1.51 0.00 0.00 179.97 178.61 3cc5 s HIS 13 N -3.74 2.74 0.22 2.20 3.76 -1.26 -5.04 115.29 114.17 3cc5 s HIS 13 Ca -0.09 -0.19 -0.32 0.00 -0.15 0.00 0.00 55.06 54.31 3cc5 s HIS 13 Cb 0.09 -1.27 -0.13 0.00 1.11 0.00 0.00 32.58 32.37 3cc5 s HIS 13 CO 0.89 0.57 1.46 -2.30 -0.85 0.00 0.00 174.74 174.51 3cc5 n PRO 14 N -0.50 2.10 -2.39 8.40 -0.02 -1.26 -4.88 135.00 136.44 3cc5 n PRO 14 Ca -0.08 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3cc5 n PRO 14 Cb 0.57 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.10 4.51 -0.09 0.52 0.04 -1.26 -5.03 135.00 133.59 3cc5 s PRO 15 Ca 0.70 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.61 3cc5 s PRO 15 Cb -0.65 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 30.67 3cc5 s PRO 15 CO 0.47 -0.06 -0.09 -1.21 0.04 0.00 0.00 177.00 176.15 3cc5 s GLU 16 N -0.32 1.52 0.22 4.56 2.02 -1.26 -5.11 118.70 120.33 3cc5 s GLU 16 Ca 0.52 -0.30 -0.32 0.00 0.02 0.00 0.00 54.97 54.89 3cc5 s GLU 16 Cb -0.32 -1.45 -0.13 0.00 0.10 0.00 0.00 34.13 32.33 3cc5 s GLU 16 CO 0.37 -0.14 1.57 0.09 0.02 0.00 0.00 175.26 177.17 3cc5 n ASN 17 N 4.44 3.38 0.00 -0.19 3.02 -1.26 -1.22 115.26 123.43 3cc5 n ASN 17 Ca -0.17 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 3cc5 n ASN 17 Cb 0.51 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 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 2.96 1.84 3.59 7.41 0.00 0.31 -4.99 105.19 116.31 3cc5 n GLY 18 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.35 3.89 0.53 1.61 1.02 -0.36 -4.97 119.74 121.11 3cc5 s LYS 19 Ca 0.00 -0.39 -0.21 0.00 0.02 0.00 0.00 55.97 55.39 3cc5 s LYS 19 Cb 0.00 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3cc5 s LYS 19 CO 0.00 0.21 1.25 -1.25 -0.92 0.00 0.00 175.35 174.64 3cc5 s PRO 20 N 0.52 3.28 0.08 -1.68 0.04 -1.26 -4.20 135.00 131.77 3cc5 s PRO 20 Ca 0.02 1.96 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 3cc5 s PRO 20 Cb -0.13 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.21 3cc5 s PRO 20 CO 0.01 -0.99 0.13 -1.71 0.04 0.00 0.00 177.00 174.48 3cc5 n ASN 21 N -1.03 -0.37 -4.00 6.66 2.85 0.69 -4.98 115.26 115.08 3cc5 n ASN 21 Ca 0.10 -1.37 -0.21 0.00 -0.11 0.00 0.00 54.58 52.99 3cc5 n ASN 21 Cb 0.47 0.65 -0.16 0.00 1.24 0.00 0.00 39.78 41.99 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 -2.64 0.82 -0.16 -1.44 1.09 -1.26 -1.78 121.20 115.82 3cc5 s ILE 22 Ca 0.05 -0.36 -0.07 0.00 -1.10 0.00 0.00 60.65 59.17 3cc5 s ILE 22 Cb -0.01 -0.74 -0.04 0.00 -1.06 0.00 0.00 42.46 40.61 3cc5 s ILE 22 CO 0.04 0.26 0.08 -0.22 -0.10 0.00 0.00 174.94 175.00 3cc5 s LEU 23 N 0.31 3.98 0.12 2.97 2.96 0.06 -0.94 118.68 128.14 3cc5 s LEU 23 Ca -0.05 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 3cc5 s LEU 23 Cb -0.10 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3cc5 s LEU 23 CO 0.01 0.24 -0.06 0.20 -1.32 0.00 0.00 176.35 175.42 3cc5 s ASN 24 N -0.03 4.60 -0.26 3.68 0.01 0.11 -1.66 114.94 121.39 3cc5 s ASN 24 Ca 0.07 -0.36 -0.01 0.00 -0.71 0.00 0.00 52.86 51.86 3cc5 s ASN 24 Cb -0.12 -0.94 0.08 0.00 0.41 0.00 0.00 41.25 40.68 3cc5 s ASN 24 CO 0.01 0.15 0.05 0.00 -1.51 0.00 0.00 177.10 175.80 3cc5 s TYR 26 N 1.64 3.25 -0.06 0.00 5.04 0.06 -1.37 117.35 125.90 3cc5 s TYR 26 Ca 0.04 0.35 0.05 0.00 -2.44 0.00 0.00 57.07 55.07 3cc5 s TYR 26 Cb -0.17 -2.51 -0.02 0.00 0.35 0.00 0.00 41.96 39.61 3cc5 s TYR 26 CO -0.17 -0.19 -0.22 0.08 -1.34 0.00 0.00 175.55 173.72 3cc5 s VAL 27 N 1.92 2.36 0.25 3.14 1.01 -0.24 -1.83 120.40 127.01 3cc5 s VAL 27 Ca 0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3cc5 s VAL 27 Cb -0.16 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3cc5 s VAL 27 CO 0.10 0.57 0.33 0.42 0.00 0.00 0.00 175.10 176.52 3cc5 s THR 28 N -0.30 0.00 -1.35 3.92 -4.23 -0.74 -1.30 115.64 111.64 3cc5 s THR 28 Ca 0.01 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 3cc5 s THR 28 Cb -0.13 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3cc5 s THR 28 CO 0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 3cc5 n GLN 29 N -0.39 -1.21 -4.33 3.99 1.13 -1.01 -1.41 117.38 114.14 3cc5 n GLN 29 Ca 0.01 0.78 -0.29 0.00 -1.94 0.00 0.00 57.00 55.56 3cc5 n GLN 29 Cb 0.63 -5.11 -0.12 0.00 0.11 0.00 0.00 30.24 25.75 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 -2.75 2.46 -0.24 1.08 -0.71 -1.21 -3.90 117.98 112.71 3cc5 s PHE 30 Ca 0.00 -0.30 -0.17 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 40.57 3cc5 s PHE 30 CO 0.00 0.38 0.62 -1.58 -1.34 0.00 0.00 175.22 173.30 3cc5 s HIS 31 N -1.17 -0.83 1.07 3.49 2.46 -1.00 -1.68 115.29 117.63 3cc5 s HIS 31 Ca 0.17 1.81 -0.14 0.00 0.47 0.00 0.00 55.06 57.37 3cc5 s HIS 31 Cb -0.10 0.41 0.22 0.00 -0.13 0.00 0.00 32.58 32.98 3cc5 s HIS 31 CO 0.09 -0.42 1.10 -1.25 -2.47 0.00 0.00 174.74 171.79 3cc5 s PRO 32 N 1.04 -0.14 0.15 2.88 0.04 -1.26 -2.85 135.00 134.85 3cc5 s PRO 32 Ca -0.06 0.32 0.23 0.00 0.04 0.00 0.00 61.00 61.53 3cc5 s PRO 32 Cb -0.05 -1.69 0.89 0.00 0.04 0.00 0.00 34.50 33.69 3cc5 s PRO 32 CO -0.10 -3.07 1.69 -0.35 0.04 0.00 0.00 177.00 175.22 3cc5 n PRO 33 N -4.38 0.13 -2.49 0.56 -0.04 -1.26 -4.74 135.00 122.79 3cc5 n PRO 33 Ca 0.07 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 3cc5 n PRO 33 Cb 0.58 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.15 3.22 0.00 0.54 2.46 -1.26 -4.99 115.29 112.11 3cc5 s HIS 34 Ca 0.08 1.26 -0.13 0.00 0.47 0.00 0.00 55.06 56.73 3cc5 s HIS 34 Cb 0.11 -3.39 0.02 0.00 -0.13 0.00 0.00 32.58 29.19 3cc5 s HIS 34 CO 0.42 -1.19 0.27 -1.50 -2.47 0.00 0.00 174.74 170.28 3cc5 s ILE 35 N 2.26 0.07 -0.11 0.89 2.07 -1.26 -4.68 121.20 120.44 3cc5 s ILE 35 Ca 0.55 -0.58 0.03 0.00 -1.41 0.00 0.00 60.65 59.23 3cc5 s ILE 35 Cb -0.24 -0.67 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 3cc5 s ILE 35 CO 0.21 -0.32 -0.22 -1.61 -1.91 0.00 0.00 174.94 171.09 3cc5 s GLU 36 N -1.67 3.10 -0.06 3.50 2.02 -0.49 -4.99 118.70 120.12 3cc5 s GLU 36 Ca -0.11 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.06 3cc5 s GLU 36 Cb -0.04 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.82 3cc5 s GLU 36 CO 0.02 0.16 -0.13 0.42 0.02 0.00 0.00 175.26 175.74 3cc5 s ILE 37 N 0.40 1.19 -0.04 -1.63 1.01 -1.26 -0.45 121.20 120.42 3cc5 s ILE 37 Ca -0.16 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3cc5 s ILE 37 Cb -0.17 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.23 3cc5 s ILE 37 CO 0.07 0.36 -0.11 -1.10 0.00 0.00 0.00 174.94 174.17 3cc5 s GLN 38 N 0.46 1.29 -0.05 2.79 -0.21 -0.03 -4.98 119.66 118.93 3cc5 s GLN 38 Ca -0.11 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.90 3cc5 s GLN 38 Cb -0.14 -1.14 -0.03 0.00 1.00 0.00 0.00 33.01 32.69 3cc5 s GLN 38 CO 0.03 0.09 0.02 -1.64 -2.12 0.00 0.00 175.29 171.67 3cc5 s MET 39 N 0.38 2.96 -0.02 2.91 -1.94 -1.26 0.20 119.30 122.52 3cc5 s MET 39 Ca -0.08 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 53.47 3cc5 s MET 39 Cb -0.12 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 33.94 3cc5 s MET 39 CO 0.02 0.68 -0.10 -0.51 -0.01 0.00 0.00 175.02 175.09 3cc5 s LEU 40 N -1.21 1.82 -0.21 -0.03 1.43 -0.29 -1.11 118.68 119.09 3cc5 s LEU 40 Ca 0.17 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3cc5 s LEU 40 Cb -0.11 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.54 3cc5 s LEU 40 CO 0.06 0.08 -0.11 -0.75 0.23 0.00 0.00 176.35 175.86 3cc5 s LYS 41 N 0.13 3.06 -1.42 1.70 2.20 0.38 -1.33 119.74 124.46 3cc5 s LYS 41 Ca -0.02 -0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 54.68 3cc5 s LYS 41 Cb -0.08 -2.83 0.06 0.00 -1.51 0.00 0.00 37.83 33.47 3cc5 s LYS 41 CO 0.00 -0.26 0.65 0.09 -0.36 0.00 0.00 175.35 175.47 3cc5 n ASN 42 N 4.69 -4.51 0.00 1.43 3.02 0.14 -1.09 115.26 118.94 3cc5 n ASN 42 Ca -0.19 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3cc5 n ASN 42 Cb 0.49 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.39 1.80 3.86 7.41 0.00 -1.26 -5.04 105.19 110.57 3cc5 n GLY 43 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.34 3.37 0.25 1.61 -0.14 -0.25 -5.02 119.74 119.22 3cc5 s LYS 44 Ca 0.00 -0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.09 3cc5 s LYS 44 Cb 0.00 -3.11 -0.11 0.00 -1.68 0.00 0.00 37.83 32.93 3cc5 s LYS 44 CO 0.00 0.74 1.57 0.15 -0.76 0.00 0.00 175.35 177.05 3cc5 s LYS 45 N -1.23 4.18 -0.00 1.68 1.02 -1.26 -0.47 119.74 123.65 3cc5 s LYS 45 Ca 0.18 2.47 -0.21 0.00 0.02 0.00 0.00 55.97 58.43 3cc5 s LYS 45 Cb -0.12 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 3cc5 s LYS 45 CO 0.07 -0.59 0.63 0.42 -0.92 0.00 0.00 175.35 174.96 3cc5 s ILE 46 N 0.33 4.89 -0.16 2.17 1.01 -0.26 -4.84 121.20 124.33 3cc5 s ILE 46 Ca 0.65 1.31 -0.26 0.00 0.00 0.00 0.00 60.65 62.35 3cc5 s ILE 46 Cb -0.46 -3.96 -0.23 0.00 0.01 0.00 0.00 42.46 37.82 3cc5 s ILE 46 CO 0.42 0.40 0.56 1.55 0.00 0.00 0.00 174.94 177.87 3cc5 h PRO 47 N 5.70 0.00 -2.57 2.79 0.13 -1.94 -3.39 132.00 132.72 3cc5 h PRO 47 Ca -0.45 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 3cc5 h PRO 47 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 3cc5 h PRO 47 CO 0.70 0.97 2.28 1.63 -0.23 0.00 0.00 178.00 183.34 3cc5 n LYS 48 N -4.56 3.96 -2.98 0.86 4.01 -1.26 -4.94 118.16 113.26 3cc5 n LYS 48 Ca -0.17 -2.91 -0.41 0.00 -0.51 0.00 0.00 58.31 54.32 3cc5 n LYS 48 Cb 0.53 -2.56 -0.05 0.00 -0.51 0.00 0.00 35.03 32.45 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 -0.50 4.95 0.15 -0.18 1.01 -1.26 -4.76 120.40 119.81 3cc5 s VAL 49 Ca 0.59 1.49 -0.08 0.00 0.00 0.00 0.00 61.98 63.97 3cc5 s VAL 49 Cb 0.22 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3cc5 s VAL 49 CO -0.10 0.10 0.44 -1.61 0.00 0.00 0.00 175.10 173.93 3cc5 s GLU 50 N 1.79 3.74 -0.04 2.72 0.41 0.13 -4.92 118.70 122.53 3cc5 s GLU 50 Ca 0.36 0.14 0.03 0.00 -0.41 0.00 0.00 54.97 55.08 3cc5 s GLU 50 Cb -0.17 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 3cc5 s GLU 50 CO 0.13 0.46 -0.12 1.41 -0.49 0.00 0.00 175.26 176.65 3cc5 s MET 51 N -2.41 1.35 1.01 1.61 1.75 -1.26 -0.43 119.30 120.91 3cc5 s MET 51 Ca 0.40 -0.40 -0.12 0.00 -1.25 0.00 0.00 55.69 54.32 3cc5 s MET 51 Cb -0.13 -1.19 0.20 0.00 2.84 0.00 0.00 34.83 36.55 3cc5 s MET 51 CO 0.21 0.12 1.08 -1.54 -0.65 0.00 0.00 175.02 174.24 3cc5 s SER 52 N 0.30 2.39 0.52 1.11 1.04 0.02 -5.00 113.70 114.07 3cc5 s SER 52 Ca -0.06 1.51 -0.12 0.00 0.48 0.00 0.00 55.95 57.76 3cc5 s SER 52 Cb -0.11 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 3cc5 s SER 52 CO 0.02 -3.32 0.92 -1.81 0.98 0.00 0.00 173.24 170.02 3cc5 s ASP 53 N -3.05 6.42 -0.02 7.02 1.01 -1.26 -4.74 116.67 122.05 3cc5 s ASP 53 Ca 0.66 1.32 -0.35 0.00 0.71 0.00 0.00 52.55 54.89 3cc5 s ASP 53 Cb -0.21 -2.41 -0.13 0.00 1.01 0.00 0.00 42.92 41.17 3cc5 s ASP 53 CO 0.60 -0.64 1.72 0.80 0.21 0.00 0.00 175.17 177.86 3cc5 n MET 54 N -2.01 1.95 -4.12 8.23 0.00 -1.26 -4.90 117.12 115.01 3cc5 n MET 54 Ca 0.05 0.71 -0.11 0.00 -0.00 0.00 0.00 57.70 58.35 3cc5 n MET 54 Cb 0.54 -2.49 -0.10 0.00 0.00 0.00 0.00 33.22 31.16 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 2.73 0.93 0.20 6.12 0.01 -1.23 -5.07 113.70 117.40 3cc5 s SER 55 Ca 0.88 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 57.33 3cc5 s SER 55 Cb -0.76 0.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 3cc5 s SER 55 CO 0.49 -0.41 -0.08 0.72 0.41 0.00 0.00 173.24 174.36 3cc5 s PHE 56 N -3.01 1.53 0.45 2.43 -0.12 -1.26 -1.57 117.98 116.43 3cc5 s PHE 56 Ca 0.04 -0.74 0.08 0.00 -0.05 0.00 0.00 56.93 56.27 3cc5 s PHE 56 Cb 0.01 -0.80 0.02 0.00 -0.63 0.00 0.00 43.02 41.63 3cc5 s PHE 56 CO -0.04 0.15 0.61 -1.12 -0.05 0.00 0.00 175.22 174.77 3cc5 s SER 57 N -3.27 5.53 0.05 1.98 0.01 0.69 -4.94 113.70 113.74 3cc5 s SER 57 Ca 0.22 -0.52 0.13 0.00 1.31 0.00 0.00 55.95 57.10 3cc5 s SER 57 Cb 0.03 -0.46 0.56 0.00 0.21 0.00 0.00 66.02 66.35 3cc5 s SER 57 CO 0.05 -0.87 1.40 2.29 0.41 0.00 0.00 173.24 176.53 3cc5 n LYS 58 N -1.92 0.03 -0.06 12.44 2.85 -1.26 -0.37 118.16 129.87 3cc5 n LYS 58 Ca 0.09 0.34 0.12 0.00 -1.05 0.00 0.00 58.31 57.82 3cc5 n LYS 58 Cb 0.60 -1.57 0.36 0.00 -0.65 0.00 0.00 35.03 33.76 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 -1.63 2.10 0.00 -5.58 5.68 -1.26 -4.93 116.55 110.93 3cc5 n ASP 59 Ca 0.02 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 3cc5 n ASP 59 Cb 0.14 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 0.62 0.00 -2.34 2.11 7.02 0.50 -5.05 117.44 120.30 3cc5 n TRP 60 Ca 0.17 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.34 3cc5 n TRP 60 Cb 0.42 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.29 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 -2.40 6.50 0.32 -0.99 1.04 -1.26 -4.62 113.70 112.29 3cc5 s SER 61 Ca 0.00 1.44 0.03 0.00 0.48 0.00 0.00 55.95 57.91 3cc5 s SER 61 Cb 0.00 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 3cc5 s SER 61 CO 0.00 -0.63 0.48 -0.36 0.98 0.00 0.00 173.24 173.71 3cc5 s PHE 62 N -2.73 3.36 0.05 5.02 0.08 -0.67 -0.22 117.98 122.86 3cc5 s PHE 62 Ca 0.56 0.08 -0.13 0.00 0.12 0.00 0.00 56.93 57.56 3cc5 s PHE 62 Cb -0.10 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3cc5 s PHE 62 CO 0.38 0.15 0.29 1.52 -0.10 0.00 0.00 175.22 177.45 3cc5 s TYR 63 N -2.19 -0.07 -0.07 0.36 1.13 -0.61 -2.41 117.35 113.49 3cc5 s TYR 63 Ca 0.40 -0.09 -0.17 0.00 -1.41 0.00 0.00 57.07 55.80 3cc5 s TYR 63 Cb -0.09 0.07 0.04 0.00 -1.10 0.00 0.00 41.96 40.88 3cc5 s TYR 63 CO 0.33 -0.50 0.40 -1.50 -2.51 0.00 0.00 175.55 171.77 3cc5 s ILE 64 N -2.63 0.03 -0.27 -3.49 2.07 -0.42 -3.54 121.20 112.96 3cc5 s ILE 64 Ca -0.04 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 58.93 3cc5 s ILE 64 Cb -0.01 -0.66 0.04 0.00 0.13 0.00 0.00 42.46 41.96 3cc5 s ILE 64 CO -0.04 -0.14 -0.04 -0.22 -1.91 0.00 0.00 174.94 172.59 3cc5 s LEU 65 N -0.81 3.43 -0.01 8.50 2.96 -1.26 -1.08 118.68 130.41 3cc5 s LEU 65 Ca -0.09 -1.03 -0.17 0.00 -0.22 0.00 0.00 54.13 52.62 3cc5 s LEU 65 Cb -0.04 -1.67 -0.06 0.00 0.50 0.00 0.00 46.19 44.92 3cc5 s LEU 65 CO 0.04 -0.17 0.49 0.00 -1.32 0.00 0.00 176.35 175.38 3cc5 s ALA 66 N 1.29 3.59 0.03 5.97 0.00 -0.47 -0.80 121.76 131.37 3cc5 s ALA 66 Ca -0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 3cc5 s ALA 66 Cb -0.18 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.39 3cc5 s ALA 66 CO -0.03 0.31 0.19 -3.38 0.00 0.00 0.00 175.76 172.84 3cc5 s HIS 67 N -0.57 0.05 -0.10 0.00 -3.43 0.42 -0.41 115.29 111.24 3cc5 s HIS 67 Ca 0.26 -0.23 -0.14 0.00 -0.80 0.00 0.00 55.06 54.15 3cc5 s HIS 67 Cb -0.17 -0.03 0.03 0.00 -1.43 0.00 0.00 32.58 30.98 3cc5 s HIS 67 CO 0.14 -0.41 0.37 -0.08 -2.00 0.00 0.00 174.74 172.77 3cc5 s THR 68 N -2.33 0.02 0.39 -5.38 -1.32 -0.66 -0.70 115.64 105.66 3cc5 s THR 68 Ca -0.07 -0.14 -0.27 0.00 -1.21 0.00 0.00 61.69 60.00 3cc5 s THR 68 Cb -0.02 -0.57 -0.09 0.00 -1.51 0.00 0.00 72.50 70.30 3cc5 s THR 68 CO -0.03 -0.08 1.29 -1.61 -2.21 0.00 0.00 174.62 171.99 3cc5 s GLU 69 N -0.30 4.06 0.04 7.08 2.02 -1.26 -0.76 118.70 129.58 3cc5 s GLU 69 Ca -0.04 2.15 -0.24 0.00 0.02 0.00 0.00 54.97 56.86 3cc5 s GLU 69 Cb -0.03 -2.82 0.06 0.00 0.10 0.00 0.00 34.13 31.43 3cc5 s GLU 69 CO 0.02 -0.41 0.55 -0.59 0.02 0.00 0.00 175.26 174.85 3cc5 s PHE 70 N -1.25 -0.47 -0.31 1.61 -0.71 -0.73 -4.84 117.98 111.28 3cc5 s PHE 70 Ca 0.55 0.55 0.02 0.00 -1.04 0.00 0.00 56.93 57.01 3cc5 s PHE 70 Cb -0.38 0.38 0.08 0.00 -1.21 0.00 0.00 43.02 41.88 3cc5 s PHE 70 CO 0.49 -0.66 0.00 0.99 -1.34 0.00 0.00 175.22 174.70 3cc5 s THR 71 N -2.40 2.48 0.59 -4.49 2.01 -1.26 -0.22 115.64 112.35 3cc5 s THR 71 Ca -0.05 -1.90 -0.20 0.00 0.31 0.00 0.00 61.69 59.84 3cc5 s THR 71 Cb -0.01 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 3cc5 s THR 71 CO -0.01 -0.33 1.26 -0.81 -0.69 0.00 0.00 174.62 174.04 3cc5 n PRO 72 N 4.42 1.34 -4.36 4.92 -0.04 -1.26 -4.75 135.00 135.27 3cc5 n PRO 72 Ca -0.06 0.51 -0.21 0.00 -0.04 0.00 0.00 63.50 63.69 3cc5 n PRO 72 Cb 0.42 -2.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.32 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 -1.36 0.18 0.35 0.52 -4.23 -1.26 -0.53 115.64 109.31 3cc5 s THR 73 Ca 0.76 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3cc5 s THR 73 Cb -0.41 -2.44 0.24 0.00 1.34 0.00 0.00 72.50 71.23 3cc5 s THR 73 CO 0.46 0.00 1.98 -0.08 -0.54 0.00 0.00 174.62 176.44 3cc5 h GLU 74 N 2.04 0.78 0.00 3.99 4.81 -1.97 -3.34 114.58 120.89 3cc5 h GLU 74 Ca -0.29 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3cc5 h GLU 74 Cb 1.25 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3cc5 h GLU 74 CO 0.43 0.56 -1.22 0.25 -0.73 0.00 0.00 179.01 178.30 3cc5 n THR 75 N -4.41 0.00 -1.87 0.32 -2.24 -1.26 -5.02 114.28 99.81 3cc5 n THR 75 Ca 0.05 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 3cc5 n THR 75 Cb 0.08 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.56 6.47 0.01 3.42 1.01 -1.26 -5.01 116.67 118.76 3cc5 s ASP 76 Ca -0.02 2.89 0.04 0.00 0.71 0.00 0.00 52.55 56.17 3cc5 s ASP 76 Cb 0.03 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 3cc5 s ASP 76 CO 0.20 -0.82 -0.07 0.28 0.21 0.00 0.00 175.17 174.97 3cc5 s THR 77 N -0.44 3.60 0.07 -1.27 -1.32 -1.26 -4.78 115.64 110.23 3cc5 s THR 77 Ca 0.58 -0.81 0.06 0.00 -1.21 0.00 0.00 61.69 60.31 3cc5 s THR 77 Cb -0.45 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 3cc5 s THR 77 CO 0.52 0.38 -0.16 -0.31 -2.21 0.00 0.00 174.62 172.83 3cc5 s TYR 78 N -1.00 1.42 0.25 9.09 1.51 -1.26 0.28 117.35 127.64 3cc5 s TYR 78 Ca 0.17 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.69 3cc5 s TYR 78 Cb -0.11 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.92 3cc5 s TYR 78 CO 0.08 0.09 0.48 0.00 -1.11 0.00 0.00 175.55 175.09 3cc5 s ALA 79 N -1.06 -0.26 -0.07 3.71 0.00 -0.44 -0.88 121.76 122.77 3cc5 s ALA 79 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3cc5 s ALA 79 Cb -0.09 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.11 3cc5 s ALA 79 CO 0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 175.76 174.83 3cc5 s ARG 81 N 0.87 2.94 -0.09 0.00 3.52 0.13 -1.18 118.95 125.15 3cc5 s ARG 81 Ca -0.11 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.68 3cc5 s ARG 81 Cb -0.15 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 30.97 3cc5 s ARG 81 CO 0.01 0.11 -0.18 0.08 -0.81 0.00 0.00 175.30 174.52 3cc5 s VAL 82 N 0.51 1.57 -0.15 7.11 1.01 -0.11 -0.85 120.40 129.48 3cc5 s VAL 82 Ca -0.15 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3cc5 s VAL 82 Cb -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3cc5 s VAL 82 CO 0.05 0.45 -0.12 -0.75 0.00 0.00 0.00 175.10 174.73 3cc5 s LYS 83 N 0.57 3.36 -0.06 2.72 2.20 0.40 -1.12 119.74 127.81 3cc5 s LYS 83 Ca -0.15 -0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 54.62 3cc5 s LYS 83 Cb -0.17 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.49 3cc5 s LYS 83 CO 0.05 0.12 0.36 -1.58 -0.36 0.00 0.00 175.35 173.94 3cc5 s HIS 84 N 0.59 -0.29 0.58 4.03 2.46 -1.26 -1.40 115.29 120.00 3cc5 s HIS 84 Ca -0.07 0.57 0.29 0.00 0.47 0.00 0.00 55.06 56.31 3cc5 s HIS 84 Cb -0.15 0.13 1.48 0.00 -0.13 0.00 0.00 32.58 33.91 3cc5 s HIS 84 CO 0.03 -0.35 1.92 -0.44 -2.47 0.00 0.00 174.74 173.43 3cc5 h ASP 85 N 4.34 0.00 1.27 9.88 3.32 -1.94 -1.77 116.42 131.52 3cc5 h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3cc5 h ASP 85 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3cc5 h ASP 85 CO 0.36 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.34 3cc5 n SER 86 N -3.85 0.52 -4.43 6.45 3.41 -1.26 -4.66 113.62 109.81 3cc5 n SER 86 Ca 0.09 0.55 -0.32 0.00 -0.26 0.00 0.00 58.87 58.93 3cc5 n SER 86 Cb 0.67 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.08 2.40 0.39 4.33 -1.94 -0.67 -4.87 119.30 115.87 3cc5 s MET 87 Ca 0.11 -0.76 0.06 0.00 -1.71 0.00 0.00 55.69 53.39 3cc5 s MET 87 Cb 0.14 -2.28 0.78 0.00 2.01 0.00 0.00 34.83 35.48 3cc5 s MET 87 CO 0.56 0.60 2.01 0.00 -0.01 0.00 0.00 175.02 178.18 3cc5 h ALA 88 N 5.41 1.61 -2.32 3.03 0.00 -1.86 -3.44 119.26 121.68 3cc5 h ALA 88 Ca -0.45 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 3cc5 h ALA 88 Cb 1.14 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 3cc5 h ALA 88 CO 0.49 0.32 -0.60 -1.83 0.00 0.00 0.00 179.25 177.64 3cc5 s GLU 89 N -5.38 0.70 0.48 0.00 -1.05 -1.26 -5.12 118.70 107.07 3cc5 s GLU 89 Ca -0.08 -1.17 -0.21 0.00 -0.15 0.00 0.00 54.97 53.35 3cc5 s GLU 89 Cb 0.17 0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 34.01 3cc5 s GLU 89 CO 0.74 -0.16 0.77 -2.30 0.95 0.00 0.00 175.26 175.25 3cc5 n PRO 90 N 0.05 0.88 -4.29 -4.83 -0.02 -1.26 -4.88 135.00 120.65 3cc5 n PRO 90 Ca -0.14 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 3cc5 n PRO 90 Cb 0.62 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.02 3.56 -0.11 -0.52 2.20 -0.28 -4.91 119.74 117.66 3cc5 s LYS 91 Ca 0.66 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 3cc5 s LYS 91 Cb -0.52 -2.93 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3cc5 s LYS 91 CO 0.55 0.10 -0.08 0.99 -0.36 0.00 0.00 175.35 176.55 3cc5 s THR 92 N 0.73 3.52 -0.05 3.43 2.01 -1.26 -0.94 115.64 123.08 3cc5 s THR 92 Ca -0.02 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3cc5 s THR 92 Cb -0.15 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.90 3cc5 s THR 92 CO 0.02 0.54 -0.10 0.54 -0.69 0.00 0.00 174.62 174.94 3cc5 s VAL 93 N -0.11 0.92 0.15 3.82 0.11 -0.32 -4.97 120.40 120.01 3cc5 s VAL 93 Ca 0.00 -0.38 -0.09 0.00 -2.93 0.00 0.00 61.98 58.58 3cc5 s VAL 93 Cb -0.13 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 3cc5 s VAL 93 CO 0.03 0.30 0.47 -0.31 -3.33 0.00 0.00 175.10 172.25 3cc5 s TYR 94 N 0.55 3.51 0.19 1.54 2.02 -1.26 -0.94 117.35 122.96 3cc5 s TYR 94 Ca -0.10 0.80 -0.30 0.00 -0.37 0.00 0.00 57.07 57.10 3cc5 s TYR 94 Cb -0.13 -2.19 -0.09 0.00 -0.40 0.00 0.00 41.96 39.16 3cc5 s TYR 94 CO 0.02 0.40 1.29 -0.46 -1.57 0.00 0.00 175.55 175.23 3cc5 s TRP 95 N -1.61 3.29 -0.26 2.71 -0.00 -0.05 -4.87 118.94 118.14 3cc5 s TRP 95 Ca 0.40 1.26 -0.01 0.00 -0.00 0.00 0.00 56.10 57.75 3cc5 s TRP 95 Cb -0.13 -3.57 0.03 0.00 -0.00 0.00 0.00 33.47 29.81 3cc5 s TRP 95 CO 0.21 -1.75 -0.06 0.34 -0.00 0.00 0.00 176.95 175.69 3cc5 s ASP 96 N 0.31 4.41 0.00 5.86 -1.08 -1.26 -4.79 116.67 120.12 3cc5 s ASP 96 Ca 0.56 -0.99 0.06 0.00 -0.52 0.00 0.00 52.55 51.67 3cc5 s ASP 96 Cb -0.36 -1.66 0.29 0.00 -1.46 0.00 0.00 42.92 39.73 3cc5 s ASP 96 CO 0.38 -0.16 1.18 -2.11 0.52 0.00 0.00 175.17 174.98 3cc5 n ARG 97 N 4.64 0.02 -0.05 4.34 1.85 -1.26 -1.45 116.66 124.74 3cc5 n ARG 97 Ca -0.16 0.36 0.12 0.00 -1.00 0.00 0.00 57.85 57.17 3cc5 n ARG 97 Cb 0.46 -1.50 0.35 0.00 -1.05 0.00 0.00 32.46 30.72 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 2.12 0.00 2.89 8.00 -1.26 -4.86 116.55 121.98 3cc5 n ASP 98 Ca 0.02 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.78 3cc5 n ASP 98 Cb 0.07 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3cc5 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04