#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fo0 n GLN 2 N 0.00 2.92 -2.74 0.38 1.13 -1.25 -4.08 117.38 113.74 1fo0 n GLN 2 Ca 0.00 -4.53 -0.39 0.00 -1.94 0.00 0.00 57.00 50.14 1fo0 n GLN 2 Cb 0.00 -2.40 -0.06 0.00 0.11 0.00 0.00 30.24 27.89 1fo0 n GLN 2 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1fo0 s LYS 3 N -1.80 4.77 -0.16 -1.09 1.02 -0.80 -4.91 119.74 116.78 1fo0 s LYS 3 Ca 0.30 1.46 -0.21 0.00 0.02 0.00 0.00 55.97 57.54 1fo0 s LYS 3 Cb -0.01 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1fo0 s LYS 3 CO -0.07 0.44 0.65 0.99 -0.92 0.00 0.00 175.35 176.43 1fo0 s THR 4 N -1.30 5.03 0.36 2.17 2.01 -1.23 -3.40 115.64 119.27 1fo0 s THR 4 Ca 0.44 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 63.41 1fo0 s THR 4 Cb -0.24 -3.97 -0.12 0.00 0.01 0.00 0.00 72.50 68.18 1fo0 s THR 4 CO 0.30 0.16 1.36 -0.81 -0.69 0.00 0.00 174.62 174.94 1fo0 n PRO 5 N 4.65 2.34 -4.24 4.92 -0.04 -1.24 -4.60 135.00 136.78 1fo0 n PRO 5 Ca -0.01 0.82 -0.34 0.00 -0.04 0.00 0.00 63.50 63.92 1fo0 n PRO 5 Cb 0.50 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.36 1fo0 n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1fo0 s GLN 6 N -1.97 3.32 -0.07 0.54 -1.52 0.88 -4.93 119.66 115.91 1fo0 s GLN 6 Ca 0.55 -0.68 -0.00 0.00 -1.95 0.00 0.00 55.36 53.28 1fo0 s GLN 6 Cb -0.53 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 1fo0 s GLN 6 CO 0.63 -0.06 -0.03 0.42 -0.25 0.00 0.00 175.29 176.00 1fo0 s ILE 7 N 1.06 3.99 -0.06 1.08 1.01 -1.26 -0.69 121.20 126.33 1fo0 s ILE 7 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1fo0 s ILE 7 Cb -0.15 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1fo0 s ILE 7 CO -0.02 0.59 -0.10 -1.10 0.00 0.00 0.00 174.94 174.31 1fo0 s GLN 8 N -0.90 1.42 -0.13 2.79 -0.21 -0.20 -4.98 119.66 117.45 1fo0 s GLN 8 Ca 0.13 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.22 1fo0 s GLN 8 Cb -0.11 -1.22 0.01 0.00 1.00 0.00 0.00 33.01 32.69 1fo0 s GLN 8 CO 0.02 -0.01 -0.18 0.08 -2.12 0.00 0.00 175.29 173.08 1fo0 s VAL 9 N 0.74 1.79 0.25 1.09 1.01 -1.26 0.61 120.40 124.62 1fo0 s VAL 9 Ca -0.14 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1fo0 s VAL 9 Cb -0.15 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1fo0 s VAL 9 CO 0.03 0.50 0.81 -0.72 0.00 0.00 0.00 175.10 175.72 1fo0 s TYR 10 N 0.98 -0.14 0.30 5.22 -0.85 -0.17 -4.51 117.35 118.18 1fo0 s TYR 10 Ca -0.05 -0.29 0.07 0.00 -0.52 0.00 0.00 57.07 56.28 1fo0 s TYR 10 Cb -0.15 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 1fo0 s TYR 10 CO -0.03 -1.13 0.30 -1.54 -1.52 0.00 0.00 175.55 171.63 1fo0 s SER 11 N -2.96 5.59 0.03 -0.18 1.04 -1.26 0.75 113.70 116.72 1fo0 s SER 11 Ca 0.12 -0.31 -0.27 0.00 0.48 0.00 0.00 55.95 55.97 1fo0 s SER 11 Cb -0.04 -1.25 -0.17 0.00 0.10 0.00 0.00 66.02 64.66 1fo0 s SER 11 CO 0.06 -0.24 1.38 -0.09 0.98 0.00 0.00 173.24 175.34 1fo0 h ARG 12 N 1.26 -0.52 -6.16 4.02 2.43 -0.06 -3.45 114.38 111.89 1fo0 h ARG 12 Ca -0.47 0.04 -0.53 0.00 -0.81 0.00 0.00 59.98 58.21 1fo0 h ARG 12 Cb 1.25 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.85 1fo0 h ARG 12 CO 0.58 -0.24 -0.54 -1.01 -1.51 0.00 0.00 179.97 177.25 1fo0 s HIS 13 N -5.20 2.83 0.14 2.20 3.76 -1.26 -5.04 115.29 112.71 1fo0 s HIS 13 Ca -0.15 -0.28 -0.35 0.00 -0.15 0.00 0.00 55.06 54.14 1fo0 s HIS 13 Cb 0.03 -1.54 -0.15 0.00 1.11 0.00 0.00 32.58 32.03 1fo0 s HIS 13 CO 0.57 0.40 1.42 -2.30 -0.85 0.00 0.00 174.74 173.97 1fo0 n PRO 14 N -1.15 1.60 -2.42 8.40 -0.02 -1.26 -4.87 135.00 135.28 1fo0 n PRO 14 Ca -0.04 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 1fo0 n PRO 14 Cb 0.60 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1fo0 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1fo0 s PRO 15 N 0.48 4.53 -0.07 0.52 0.04 -1.26 -5.05 135.00 134.19 1fo0 s PRO 15 Ca 0.80 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 1fo0 s PRO 15 Cb -0.82 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 30.52 1fo0 s PRO 15 CO 0.44 -0.03 0.13 -2.00 0.04 0.00 0.00 177.00 175.59 1fo0 s GLU 16 N -0.34 0.00 0.14 4.56 2.12 -1.26 -5.11 118.70 118.81 1fo0 s GLU 16 Ca 0.51 0.51 -0.34 0.00 0.36 0.00 0.00 54.97 56.01 1fo0 s GLU 16 Cb -0.32 -0.34 -0.16 0.00 0.26 0.00 0.00 34.13 33.58 1fo0 s GLU 16 CO 0.36 -0.31 1.33 0.09 -0.54 0.00 0.00 175.26 176.19 1fo0 n ASN 17 N 5.32 1.87 0.00 -1.70 3.02 -1.26 -0.68 115.26 121.83 1fo0 n ASN 17 Ca -0.04 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 1fo0 n ASN 17 Cb 0.50 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1fo0 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fo0 n GLY 18 N 2.45 0.75 3.32 7.41 0.00 0.24 -4.98 105.19 114.38 1fo0 n GLY 18 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1fo0 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fo0 s LYS 19 N -0.20 3.15 -0.06 1.61 2.20 0.14 -4.95 119.74 121.64 1fo0 s LYS 19 Ca 0.00 -0.80 -0.37 0.00 -0.36 0.00 0.00 55.97 54.44 1fo0 s LYS 19 Cb 0.00 -3.22 -0.15 0.00 -1.51 0.00 0.00 37.83 32.94 1fo0 s LYS 19 CO 0.00 -0.36 1.58 -2.30 -0.36 0.00 0.00 175.35 173.91 1fo0 n PRO 20 N 4.82 1.38 -2.66 4.03 -0.01 -1.26 -4.20 135.00 137.10 1fo0 n PRO 20 Ca -0.16 0.50 -0.07 0.00 -0.01 0.00 0.00 63.50 63.77 1fo0 n PRO 20 Cb 0.49 -2.20 -0.02 0.00 -0.01 0.00 0.00 33.50 31.76 1fo0 n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 1fo0 n ASN 21 N 4.16 0.56 -4.15 2.55 2.85 0.47 -4.98 115.26 116.72 1fo0 n ASN 21 Ca 0.22 -1.62 -0.28 0.00 -0.11 0.00 0.00 54.58 52.78 1fo0 n ASN 21 Cb 0.19 0.36 -0.17 0.00 1.24 0.00 0.00 39.78 41.41 1fo0 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1fo0 s ILE 22 N -2.13 1.65 -0.14 -1.44 -1.09 -1.26 -0.03 121.20 116.77 1fo0 s ILE 22 Ca 0.08 -0.81 -0.04 0.00 -2.23 0.00 0.00 60.65 57.65 1fo0 s ILE 22 Cb 0.00 -1.44 -0.03 0.00 -1.58 0.00 0.00 42.46 39.41 1fo0 s ILE 22 CO 0.06 0.47 -0.00 -0.22 -1.23 0.00 0.00 174.94 174.02 1fo0 s LEU 23 N 0.27 3.50 0.03 2.97 2.96 0.29 0.73 118.68 129.43 1fo0 s LEU 23 Ca -0.12 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1fo0 s LEU 23 Cb -0.15 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1fo0 s LEU 23 CO 0.05 0.24 -0.18 0.20 -1.32 0.00 0.00 176.35 175.35 1fo0 s ASN 24 N -0.07 3.81 -0.25 3.68 0.01 0.23 -1.11 114.94 121.24 1fo0 s ASN 24 Ca 0.04 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1fo0 s ASN 24 Cb -0.13 -0.63 0.07 0.00 0.41 0.00 0.00 41.25 40.97 1fo0 s ASN 24 CO 0.02 0.26 -0.04 0.00 -1.51 0.00 0.00 177.10 175.83 1fo0 s TYR 26 N 1.36 3.25 -0.16 0.00 5.04 0.20 0.22 117.35 127.26 1fo0 s TYR 26 Ca -0.04 -1.25 -0.02 0.00 -2.44 0.00 0.00 57.07 53.32 1fo0 s TYR 26 Cb -0.19 -2.33 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 1fo0 s TYR 26 CO -0.07 -0.70 -0.07 0.08 -1.34 0.00 0.00 175.55 173.45 1fo0 s VAL 27 N 1.46 3.46 0.34 3.14 1.01 -0.60 -1.03 120.40 128.18 1fo0 s VAL 27 Ca -0.00 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1fo0 s VAL 27 Cb -0.19 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1fo0 s VAL 27 CO 0.04 0.49 0.21 0.42 0.00 0.00 0.00 175.10 176.26 1fo0 s THR 28 N 0.65 0.20 -1.49 3.92 -4.23 0.13 -0.94 115.64 113.89 1fo0 s THR 28 Ca -0.04 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.41 1fo0 s THR 28 Cb -0.15 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1fo0 s THR 28 CO 0.02 0.00 0.63 0.00 -0.54 0.00 0.00 174.62 174.73 1fo0 n GLN 29 N -0.68 -4.79 -4.30 3.99 1.13 -0.99 -0.09 117.38 111.65 1fo0 n GLN 29 Ca 0.03 0.80 -0.24 0.00 -1.94 0.00 0.00 57.00 55.65 1fo0 n GLN 29 Cb 0.64 -5.65 -0.08 0.00 0.11 0.00 0.00 30.24 25.26 1fo0 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1fo0 s PHE 30 N -3.14 2.65 -0.30 1.08 -0.71 -1.21 -3.55 117.98 112.81 1fo0 s PHE 30 Ca 0.35 -0.23 -0.16 0.00 -1.04 0.00 0.00 56.93 55.86 1fo0 s PHE 30 Cb -0.16 -1.21 0.16 0.00 -1.21 0.00 0.00 43.02 40.60 1fo0 s PHE 30 CO 0.43 0.59 1.03 -1.58 -1.34 0.00 0.00 175.22 174.35 1fo0 s HIS 31 N -2.14 -0.54 1.10 3.49 2.46 -1.22 -0.71 115.29 117.74 1fo0 s HIS 31 Ca 0.29 1.00 -0.12 0.00 0.47 0.00 0.00 55.06 56.70 1fo0 s HIS 31 Cb -0.07 0.32 0.25 0.00 -0.13 0.00 0.00 32.58 32.95 1fo0 s HIS 31 CO 0.18 -0.27 1.05 -1.25 -2.47 0.00 0.00 174.74 171.99 1fo0 s PRO 32 N 1.78 -0.42 0.47 2.88 0.04 -1.26 -1.90 135.00 136.59 1fo0 s PRO 32 Ca -0.06 0.84 0.25 0.00 0.04 0.00 0.00 61.00 62.07 1fo0 s PRO 32 Cb -0.04 -1.61 1.13 0.00 0.04 0.00 0.00 34.50 34.02 1fo0 s PRO 32 CO -0.15 -3.39 1.93 -1.00 0.04 0.00 0.00 177.00 174.42 1fo0 h PRO 33 N -2.38 0.00 -6.54 0.56 0.13 -1.98 -3.44 132.00 118.34 1fo0 h PRO 33 Ca -0.58 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.02 1fo0 h PRO 33 Cb 1.32 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.48 1fo0 h PRO 33 CO 0.51 0.20 0.85 -1.58 -0.23 0.00 0.00 178.00 177.75 1fo0 s HIS 34 N -3.92 2.98 -0.01 1.56 5.65 -1.26 -4.99 115.29 115.29 1fo0 s HIS 34 Ca -0.01 0.68 -0.25 0.00 0.25 0.00 0.00 55.06 55.73 1fo0 s HIS 34 Cb 0.12 -3.84 0.05 0.00 -1.18 0.00 0.00 32.58 27.73 1fo0 s HIS 34 CO 0.62 -3.12 0.55 -1.50 -0.65 0.00 0.00 174.74 170.64 1fo0 s ILE 35 N 1.52 0.02 -0.20 0.89 2.07 -1.26 -4.73 121.20 119.50 1fo0 s ILE 35 Ca 0.69 -0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.74 1fo0 s ILE 35 Cb -0.40 -0.90 0.01 0.00 0.13 0.00 0.00 42.46 41.29 1fo0 s ILE 35 CO 0.31 -0.10 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.43 1fo0 s GLU 36 N -1.58 3.17 -0.07 3.50 2.56 0.88 -4.97 118.70 122.20 1fo0 s GLU 36 Ca -0.10 -0.74 0.04 0.00 0.00 0.00 0.00 54.97 54.17 1fo0 s GLU 36 Cb -0.01 -2.82 -0.00 0.00 2.00 0.00 0.00 34.13 33.30 1fo0 s GLU 36 CO 0.05 -0.22 -0.20 0.42 -0.56 0.00 0.00 175.26 174.76 1fo0 s ILE 37 N 1.39 1.68 -0.01 -3.70 1.01 -1.26 0.10 121.20 120.40 1fo0 s ILE 37 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1fo0 s ILE 37 Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1fo0 s ILE 37 CO -0.08 0.48 -0.11 -1.10 0.00 0.00 0.00 174.94 174.13 1fo0 s GLN 38 N 0.21 0.89 -0.10 2.79 -0.21 0.39 -5.00 119.66 118.62 1fo0 s GLN 38 Ca -0.10 -0.38 -0.05 0.00 0.02 0.00 0.00 55.36 54.85 1fo0 s GLN 38 Cb -0.15 -0.86 -0.04 0.00 1.00 0.00 0.00 33.01 32.97 1fo0 s GLN 38 CO 0.05 0.22 0.09 -1.64 -2.12 0.00 0.00 175.29 171.88 1fo0 s MET 39 N -0.19 3.26 0.12 2.91 -1.94 -1.26 -0.01 119.30 122.18 1fo0 s MET 39 Ca 0.03 -0.24 0.08 0.00 -1.71 0.00 0.00 55.69 53.85 1fo0 s MET 39 Cb -0.05 -3.03 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 1fo0 s MET 39 CO -0.00 0.75 -0.19 -0.51 -0.01 0.00 0.00 175.02 175.05 1fo0 s LEU 40 N -1.00 2.35 -0.22 -0.03 1.43 0.21 -1.08 118.68 120.34 1fo0 s LEU 40 Ca 0.15 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1fo0 s LEU 40 Cb -0.12 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.33 1fo0 s LEU 40 CO 0.04 0.01 -0.03 -0.75 0.23 0.00 0.00 176.35 175.85 1fo0 s LYS 41 N -2.22 1.40 -1.48 1.70 2.20 -0.99 0.27 119.74 120.62 1fo0 s LYS 41 Ca 0.09 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 54.81 1fo0 s LYS 41 Cb -0.08 -2.43 0.02 0.00 -1.51 0.00 0.00 37.83 33.83 1fo0 s LYS 41 CO 0.05 -0.59 0.80 0.09 -0.36 0.00 0.00 175.35 175.34 1fo0 n ASN 42 N 4.77 -5.87 0.00 1.43 3.02 0.19 -1.78 115.26 117.03 1fo0 n ASN 42 Ca -0.11 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1fo0 n ASN 42 Cb 0.45 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 1fo0 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fo0 n GLY 43 N -1.65 0.99 3.57 7.41 0.00 -1.26 -5.03 105.19 109.22 1fo0 n GLY 43 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1fo0 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fo0 s LYS 44 N -0.04 3.36 0.48 1.61 2.20 -0.73 -5.05 119.74 121.56 1fo0 s LYS 44 Ca 0.00 -0.48 -0.21 0.00 -0.36 0.00 0.00 55.97 54.92 1fo0 s LYS 44 Cb 0.00 -2.85 -0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1fo0 s LYS 44 CO 0.00 0.44 0.64 1.63 -0.36 0.00 0.00 175.35 177.71 1fo0 n LYS 45 N 2.93 0.71 -3.51 4.03 5.02 -1.26 -2.36 118.16 123.72 1fo0 n LYS 45 Ca -0.18 0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1fo0 n LYS 45 Cb 0.53 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 1fo0 n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1fo0 s ILE 46 N -1.53 5.26 0.00 -0.18 1.01 -0.25 -4.78 121.20 120.74 1fo0 s ILE 46 Ca 0.66 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1fo0 s ILE 46 Cb -0.53 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1fo0 s ILE 46 CO 0.56 0.09 0.79 -0.81 0.00 0.00 0.00 174.94 175.57 1fo0 n PRO 47 N 5.17 0.00 -2.99 2.79 -0.04 -1.26 -4.42 135.00 134.25 1fo0 n PRO 47 Ca -0.12 0.60 -0.43 0.00 -0.04 0.00 0.00 63.50 63.51 1fo0 n PRO 47 Cb 0.51 -1.29 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 1fo0 n PRO 47 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1fo0 s LYS 48 N -2.16 3.25 -0.16 0.54 1.02 -1.26 -5.01 119.74 115.96 1fo0 s LYS 48 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1fo0 s LYS 48 Cb 0.00 -4.05 0.02 0.00 -0.52 0.00 0.00 37.83 33.28 1fo0 s LYS 48 CO 0.00 -1.32 -0.16 0.08 -0.92 0.00 0.00 175.35 173.03 1fo0 s VAL 49 N 3.31 1.71 0.01 3.17 1.01 -1.26 -4.81 120.40 123.55 1fo0 s VAL 49 Ca 0.24 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1fo0 s VAL 49 Cb -0.15 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1fo0 s VAL 49 CO 0.17 0.48 0.74 -1.61 0.00 0.00 0.00 175.10 174.87 1fo0 s GLU 50 N 1.41 4.46 0.01 2.72 2.02 -0.59 -4.93 118.70 123.79 1fo0 s GLU 50 Ca 0.04 0.99 0.04 0.00 0.02 0.00 0.00 54.97 56.07 1fo0 s GLU 50 Cb -0.13 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 1fo0 s GLU 50 CO -0.11 0.22 -0.11 -1.64 0.02 0.00 0.00 175.26 173.65 1fo0 s MET 51 N 0.19 2.41 0.86 1.61 -1.94 -1.26 -1.19 119.30 119.98 1fo0 s MET 51 Ca 0.38 -0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 53.45 1fo0 s MET 51 Cb -0.19 -2.40 0.11 0.00 2.01 0.00 0.00 34.83 34.36 1fo0 s MET 51 CO 0.21 0.59 1.14 -1.54 -0.01 0.00 0.00 175.02 175.41 1fo0 s SER 52 N -1.33 3.98 0.46 3.03 1.04 0.33 -5.01 113.70 116.19 1fo0 s SER 52 Ca 0.16 0.96 -0.21 0.00 0.48 0.00 0.00 55.95 57.34 1fo0 s SER 52 Cb -0.11 -1.55 -0.10 0.00 0.10 0.00 0.00 66.02 64.37 1fo0 s SER 52 CO 0.06 -2.26 0.99 -1.81 0.98 0.00 0.00 173.24 171.20 1fo0 s ASP 53 N -4.17 6.68 0.83 7.02 1.01 -1.26 -4.75 116.67 122.02 1fo0 s ASP 53 Ca 0.63 1.79 -0.11 0.00 0.71 0.00 0.00 52.55 55.56 1fo0 s ASP 53 Cb -0.14 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.34 1fo0 s ASP 53 CO 0.52 -0.54 1.09 -0.32 0.21 0.00 0.00 175.17 176.13 1fo0 s MET 54 N -3.22 1.80 0.24 8.23 1.75 -1.26 -4.81 119.30 122.03 1fo0 s MET 54 Ca 0.64 0.91 -0.18 0.00 -1.25 0.00 0.00 55.69 55.81 1fo0 s MET 54 Cb -0.12 -1.86 0.02 0.00 2.84 0.00 0.00 34.83 35.70 1fo0 s MET 54 CO 0.16 -1.89 0.60 -1.12 -0.65 0.00 0.00 175.02 172.12 1fo0 s SER 55 N -3.51 -0.24 0.09 1.11 0.01 -1.19 -5.02 113.70 104.95 1fo0 s SER 55 Ca 0.62 -0.60 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 1fo0 s SER 55 Cb -0.17 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 1fo0 s SER 55 CO 0.56 -1.18 0.07 0.72 0.41 0.00 0.00 173.24 173.82 1fo0 s PHE 56 N -3.92 0.54 0.20 2.43 -0.12 -1.26 -0.75 117.98 115.11 1fo0 s PHE 56 Ca 0.12 -1.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.01 1fo0 s PHE 56 Cb -0.03 -0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.04 1fo0 s PHE 56 CO 0.03 -0.49 0.00 -1.13 -0.05 0.00 0.00 175.22 173.58 1fo0 n SER 57 N -0.01 2.56 -0.06 1.98 3.41 0.22 -4.95 113.62 116.78 1fo0 n SER 57 Ca -0.11 -1.89 0.20 0.00 -0.26 0.00 0.00 58.87 56.81 1fo0 n SER 57 Cb 0.62 0.14 0.65 0.00 -0.26 0.00 0.00 64.21 65.36 1fo0 n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1fo0 h LYS 58 N 0.00 0.10 -0.22 4.33 1.57 -2.03 0.50 116.57 120.83 1fo0 h LYS 58 Ca -0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1fo0 h LYS 58 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1fo0 h LYS 58 CO 0.28 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 178.83 1fo0 n ASP 59 N -4.39 0.61 0.00 0.86 5.68 -1.26 -4.87 116.55 113.17 1fo0 n ASP 59 Ca 0.12 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 1fo0 n ASP 59 Cb 0.62 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1fo0 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1fo0 n TRP 60 N -0.21 0.00 -2.85 2.11 7.02 0.17 -5.01 117.44 118.67 1fo0 n TRP 60 Ca 0.03 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.22 1fo0 n TRP 60 Cb 0.11 -0.42 -0.02 0.00 -2.42 0.00 0.00 31.31 28.57 1fo0 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1fo0 s SER 61 N -2.65 6.41 0.44 -0.99 1.04 -1.26 -4.71 113.70 111.97 1fo0 s SER 61 Ca 0.00 0.98 0.01 0.00 0.48 0.00 0.00 55.95 57.42 1fo0 s SER 61 Cb 0.00 -2.26 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 1fo0 s SER 61 CO 0.00 -0.44 0.65 -0.36 0.98 0.00 0.00 173.24 174.07 1fo0 s PHE 62 N -2.48 3.24 0.09 5.02 0.40 0.11 -0.61 117.98 123.75 1fo0 s PHE 62 Ca 0.48 0.22 -0.13 0.00 -0.60 0.00 0.00 56.93 56.91 1fo0 s PHE 62 Cb -0.10 -2.27 0.02 0.00 0.51 0.00 0.00 43.02 41.18 1fo0 s PHE 62 CO 0.36 -0.30 0.30 1.52 0.70 0.00 0.00 175.22 177.80 1fo0 s TYR 63 N -2.52 -0.05 -0.10 0.36 -0.85 0.07 -2.35 117.35 111.92 1fo0 s TYR 63 Ca 0.48 -0.27 -0.29 0.00 -0.52 0.00 0.00 57.07 56.47 1fo0 s TYR 63 Cb -0.10 0.10 0.07 0.00 0.38 0.00 0.00 41.96 42.41 1fo0 s TYR 63 CO 0.37 -0.59 0.67 -1.50 -1.52 0.00 0.00 175.55 172.99 1fo0 s ILE 64 N -3.49 0.00 -0.21 -3.49 2.07 -0.12 -3.14 121.20 112.82 1fo0 s ILE 64 Ca 0.02 -0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1fo0 s ILE 64 Cb 0.02 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1fo0 s ILE 64 CO -0.09 -0.01 -0.09 -0.22 -1.91 0.00 0.00 174.94 172.61 1fo0 s LEU 65 N -0.79 2.65 -0.08 8.50 2.96 -1.26 -1.55 118.68 129.11 1fo0 s LEU 65 Ca -0.08 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 1fo0 s LEU 65 Cb -0.01 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1fo0 s LEU 65 CO 0.07 -0.02 -0.08 0.00 -1.32 0.00 0.00 176.35 175.01 1fo0 s ALA 66 N 1.42 2.92 0.09 5.97 0.00 0.13 -0.51 121.76 131.77 1fo0 s ALA 66 Ca 0.05 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 1fo0 s ALA 66 Cb -0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1fo0 s ALA 66 CO -0.06 0.51 0.12 -3.38 0.00 0.00 0.00 175.76 172.94 1fo0 s HIS 67 N -0.59 0.37 -0.25 0.00 -3.43 -0.33 0.13 115.29 111.19 1fo0 s HIS 67 Ca 0.09 -0.82 -0.25 0.00 -0.80 0.00 0.00 55.06 53.28 1fo0 s HIS 67 Cb -0.12 -0.20 0.07 0.00 -1.43 0.00 0.00 32.58 30.90 1fo0 s HIS 67 CO 0.02 -0.51 0.71 -0.08 -2.00 0.00 0.00 174.74 172.87 1fo0 s THR 68 N -3.91 0.00 0.42 -5.38 -1.32 -0.27 -1.54 115.64 103.64 1fo0 s THR 68 Ca 0.09 -0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.32 1fo0 s THR 68 Cb 0.06 -0.99 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 1fo0 s THR 68 CO -0.08 -0.00 1.29 -1.61 -2.21 0.00 0.00 174.62 172.01 1fo0 s GLU 69 N 0.27 3.89 0.09 7.08 2.02 -1.26 -0.55 118.70 130.23 1fo0 s GLU 69 Ca -0.01 2.11 -0.20 0.00 0.02 0.00 0.00 54.97 56.89 1fo0 s GLU 69 Cb -0.05 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.55 1fo0 s GLU 69 CO 0.02 -0.54 0.48 -0.59 0.02 0.00 0.00 175.26 174.64 1fo0 s PHE 70 N -1.30 -0.35 -0.23 1.61 -0.71 0.95 -4.81 117.98 113.14 1fo0 s PHE 70 Ca 0.59 0.24 0.01 0.00 -1.04 0.00 0.00 56.93 56.73 1fo0 s PHE 70 Cb -0.37 0.33 0.06 0.00 -1.21 0.00 0.00 43.02 41.82 1fo0 s PHE 70 CO 0.47 -0.68 -0.09 0.99 -1.34 0.00 0.00 175.22 174.58 1fo0 s THR 71 N -3.03 1.77 0.11 -4.49 2.01 -1.26 0.18 115.64 110.92 1fo0 s THR 71 Ca -0.02 -1.30 -0.31 0.00 0.31 0.00 0.00 61.69 60.37 1fo0 s THR 71 Cb 0.00 -1.93 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 1fo0 s THR 71 CO -0.06 -0.00 1.56 -2.84 -0.69 0.00 0.00 174.62 172.59 1fo0 s PRO 72 N 1.30 4.23 0.15 4.92 0.02 -1.26 -4.82 135.00 139.55 1fo0 s PRO 72 Ca -0.06 2.28 0.07 0.00 0.02 0.00 0.00 61.00 63.31 1fo0 s PRO 72 Cb -0.18 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 1fo0 s PRO 72 CO -0.06 -0.63 -0.15 0.95 -0.33 0.00 0.00 177.00 176.78 1fo0 s THR 73 N 1.76 1.53 0.48 0.99 -4.23 -1.26 0.82 115.64 115.72 1fo0 s THR 73 Ca 0.70 -1.91 0.31 0.00 -1.18 0.00 0.00 61.69 59.61 1fo0 s THR 73 Cb -0.40 -1.76 0.34 0.00 1.34 0.00 0.00 72.50 72.02 1fo0 s THR 73 CO 0.31 -0.47 2.16 -0.08 -0.54 0.00 0.00 174.62 176.00 1fo0 h GLU 74 N 3.16 0.00 0.00 3.99 4.81 -1.98 -3.23 114.58 121.34 1fo0 h GLU 74 Ca -0.40 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 1fo0 h GLU 74 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1fo0 h GLU 74 CO 0.55 0.06 -1.38 0.25 -0.73 0.00 0.00 179.01 177.76 1fo0 n THR 75 N -3.58 0.28 -1.63 0.32 -2.24 -1.26 -5.02 114.28 101.15 1fo0 n THR 75 Ca -0.02 -0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.09 1fo0 n THR 75 Cb 0.18 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 1fo0 n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1fo0 n ASP 76 N -2.06 1.84 -4.34 3.42 8.00 -1.22 -4.98 116.55 117.21 1fo0 n ASP 76 Ca -0.07 1.18 -0.31 0.00 0.71 0.00 0.00 54.79 56.30 1fo0 n ASP 76 Cb 0.52 -1.35 -0.15 0.00 -0.02 0.00 0.00 41.12 40.12 1fo0 n ASP 76 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1fo0 s THR 77 N -0.89 2.20 0.04 -3.53 -4.23 -1.26 -4.77 115.64 103.19 1fo0 s THR 77 Ca 0.60 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.95 1fo0 s THR 77 Cb -0.67 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 1fo0 s THR 77 CO 0.59 0.48 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.69 1fo0 s TYR 78 N -0.72 1.32 0.24 3.99 1.51 -1.26 0.56 117.35 122.99 1fo0 s TYR 78 Ca 0.11 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1fo0 s TYR 78 Cb -0.10 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1fo0 s TYR 78 CO 0.01 0.04 0.25 0.00 -1.11 0.00 0.00 175.55 174.74 1fo0 s ALA 79 N -0.82 0.93 -0.12 3.71 0.00 0.14 -0.86 121.76 124.75 1fo0 s ALA 79 Ca 0.03 -1.56 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 1fo0 s ALA 79 Cb -0.08 1.32 0.04 0.00 0.00 0.00 0.00 23.12 24.40 1fo0 s ALA 79 CO 0.01 -0.67 0.01 0.00 0.00 0.00 0.00 175.76 175.11 1fo0 s ARG 81 N 1.90 3.53 -0.09 0.00 3.52 0.98 -0.17 118.95 128.63 1fo0 s ARG 81 Ca 0.03 -0.59 0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1fo0 s ARG 81 Cb -0.14 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1fo0 s ARG 81 CO -0.07 0.16 -0.23 0.08 -0.81 0.00 0.00 175.30 174.44 1fo0 s VAL 82 N 0.54 2.22 -0.24 7.11 1.01 0.34 -0.46 120.40 130.91 1fo0 s VAL 82 Ca -0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 1fo0 s VAL 82 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1fo0 s VAL 82 CO 0.03 0.56 -0.05 -0.75 0.00 0.00 0.00 175.10 174.89 1fo0 s LYS 83 N 0.17 3.01 -0.01 2.72 2.47 0.29 -1.46 119.74 126.93 1fo0 s LYS 83 Ca -0.13 -0.87 -0.03 0.00 -1.56 0.00 0.00 55.97 53.38 1fo0 s LYS 83 Cb -0.16 -3.02 -0.00 0.00 -1.46 0.00 0.00 37.83 33.19 1fo0 s LYS 83 CO 0.07 -0.35 0.06 -1.58 0.16 0.00 0.00 175.35 173.71 1fo0 s HIS 84 N 1.38 0.06 0.58 4.03 5.65 -1.26 -0.08 115.29 125.64 1fo0 s HIS 84 Ca 0.02 -0.11 0.38 0.00 0.25 0.00 0.00 55.06 55.60 1fo0 s HIS 84 Cb -0.16 -0.06 2.07 0.00 -1.18 0.00 0.00 32.58 33.25 1fo0 s HIS 84 CO -0.04 -0.16 2.16 -0.44 -0.65 0.00 0.00 174.74 175.62 1fo0 h ASP 85 N 5.11 0.00 0.48 9.88 5.19 -1.95 -0.75 116.42 134.38 1fo0 h ASP 85 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1fo0 h ASP 85 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1fo0 h ASP 85 CO 0.43 0.00 -0.09 -1.54 -3.12 0.00 0.00 179.24 174.92 1fo0 n SER 86 N -2.93 0.30 -4.39 6.45 3.41 -1.26 -4.81 113.62 110.38 1fo0 n SER 86 Ca -0.03 -0.34 -0.31 0.00 -0.26 0.00 0.00 58.87 57.93 1fo0 n SER 86 Cb 0.16 -0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 1fo0 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1fo0 s MET 87 N -2.58 2.17 0.04 4.33 -1.94 -0.29 -4.90 119.30 116.14 1fo0 s MET 87 Ca 0.26 -0.90 -0.23 0.00 -1.71 0.00 0.00 55.69 53.12 1fo0 s MET 87 Cb 0.20 -2.15 -0.15 0.00 2.01 0.00 0.00 34.83 34.73 1fo0 s MET 87 CO 0.49 0.57 1.49 0.00 -0.01 0.00 0.00 175.02 177.56 1fo0 h ALA 88 N 5.17 0.10 -3.11 3.03 0.00 -1.87 -3.45 119.26 119.13 1fo0 h ALA 88 Ca -0.45 -0.16 -0.50 0.00 0.00 0.00 0.00 54.91 53.80 1fo0 h ALA 88 Cb 1.14 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.71 1fo0 h ALA 88 CO 0.48 -0.24 -0.79 -1.21 0.00 0.00 0.00 179.25 177.49 1fo0 s GLU 89 N -5.07 1.15 0.17 0.00 8.01 -1.26 -5.10 118.70 116.60 1fo0 s GLU 89 Ca -0.14 -1.29 -0.34 0.00 0.01 0.00 0.00 54.97 53.21 1fo0 s GLU 89 Cb 0.05 -1.21 -0.15 0.00 -4.31 0.00 0.00 34.13 28.51 1fo0 s GLU 89 CO 0.69 0.25 1.41 -2.30 0.01 0.00 0.00 175.26 175.32 1fo0 n PRO 90 N 0.58 1.73 -3.37 0.39 -0.02 -1.26 -4.95 135.00 128.11 1fo0 n PRO 90 Ca -0.16 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 1fo0 n PRO 90 Cb 0.56 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1fo0 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1fo0 s LYS 91 N 0.26 4.30 -0.04 -0.52 2.20 -0.53 -4.88 119.74 120.52 1fo0 s LYS 91 Ca 0.76 0.34 0.03 0.00 -0.36 0.00 0.00 55.97 56.75 1fo0 s LYS 91 Cb -0.76 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1fo0 s LYS 91 CO 0.45 0.13 -0.12 0.99 -0.36 0.00 0.00 175.35 176.45 1fo0 s THR 92 N 0.73 3.27 -0.04 3.43 2.01 -1.26 -0.50 115.64 123.28 1fo0 s THR 92 Ca 0.23 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1fo0 s THR 92 Cb -0.15 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1fo0 s THR 92 CO 0.09 0.54 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.78 1fo0 s VAL 93 N -0.80 0.85 -0.16 3.82 1.01 0.76 -4.96 120.40 120.91 1fo0 s VAL 93 Ca 0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1fo0 s VAL 93 Cb -0.11 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1fo0 s VAL 93 CO 0.02 0.27 0.13 -0.31 0.00 0.00 0.00 175.10 175.21 1fo0 s TYR 94 N 0.40 3.49 0.17 5.22 2.02 -1.26 -0.82 117.35 126.56 1fo0 s TYR 94 Ca -0.07 0.42 -0.32 0.00 -0.37 0.00 0.00 57.07 56.73 1fo0 s TYR 94 Cb -0.11 -2.05 -0.11 0.00 -0.40 0.00 0.00 41.96 39.29 1fo0 s TYR 94 CO 0.01 0.51 1.75 -0.46 -1.57 0.00 0.00 175.55 175.78 1fo0 s TRP 95 N -0.33 2.63 -0.17 2.71 -0.00 -0.04 -4.89 118.94 118.85 1fo0 s TRP 95 Ca 0.11 0.23 0.01 0.00 -0.00 0.00 0.00 56.10 56.45 1fo0 s TRP 95 Cb -0.12 -4.13 0.03 0.00 -0.00 0.00 0.00 33.47 29.25 1fo0 s TRP 95 CO 0.01 -4.43 -0.15 0.34 -0.00 0.00 0.00 176.95 172.73 1fo0 s ASP 96 N 1.78 2.95 0.59 5.86 -1.08 -1.26 -4.75 116.67 120.77 1fo0 s ASP 96 Ca 0.77 -0.62 0.29 0.00 -0.52 0.00 0.00 52.55 52.47 1fo0 s ASP 96 Cb -0.48 -1.27 1.43 0.00 -1.46 0.00 0.00 42.92 41.15 1fo0 s ASP 96 CO 0.34 -0.06 1.84 0.03 0.52 0.00 0.00 175.17 177.84 1fo0 h ARG 97 N 8.00 0.00 -0.57 4.34 3.08 -1.96 -1.96 114.38 125.31 1fo0 h ARG 97 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1fo0 h ARG 97 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1fo0 h ARG 97 CO 0.55 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.20 1fo0 n ASP 98 N -3.64 5.58 0.00 7.04 8.00 -1.26 -4.87 116.55 127.40 1fo0 n ASP 98 Ca 0.10 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1fo0 n ASP 98 Cb 0.74 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1fo0 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04