#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cd1 s GLN 2 N 0.00 1.89 0.14 0.38 1.11 -1.26 -3.87 119.66 118.06 1cd1 s GLN 2 Ca 0.00 -0.49 0.08 0.00 0.01 0.00 0.00 55.36 54.96 1cd1 s GLN 2 Cb 0.00 -1.97 -0.04 0.00 -1.01 0.00 0.00 33.01 29.99 1cd1 s GLN 2 CO 0.00 -0.30 -0.19 0.15 0.01 0.00 0.00 175.29 174.96 1cd1 s LYS 3 N 1.57 1.23 -0.18 2.91 3.01 -0.42 -4.99 119.74 122.88 1cd1 s LYS 3 Ca 0.04 -1.33 -0.07 0.00 -1.01 0.00 0.00 55.97 53.60 1cd1 s LYS 3 Cb -0.14 -1.37 -0.04 0.00 -1.01 0.00 0.00 37.83 35.28 1cd1 s LYS 3 CO -0.09 0.29 0.06 0.95 0.51 0.00 0.00 175.35 177.07 1cd1 s THR 4 N -1.74 4.82 0.16 2.17 -4.23 -1.26 -4.12 115.64 111.44 1cd1 s THR 4 Ca 0.13 -0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.30 1cd1 s THR 4 Cb -0.07 -3.16 -0.11 0.00 1.34 0.00 0.00 72.50 70.50 1cd1 s THR 4 CO 0.06 0.47 1.76 -2.16 -0.54 0.00 0.00 174.62 174.21 1cd1 s PRO 5 N 0.24 4.14 0.01 3.99 0.04 -1.26 -4.58 135.00 137.59 1cd1 s PRO 5 Ca 0.04 2.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.35 1cd1 s PRO 5 Cb -0.12 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1cd1 s PRO 5 CO 0.00 -0.79 1.00 -1.14 0.04 0.00 0.00 177.00 176.11 1cd1 s GLN 6 N 1.99 4.56 0.04 4.56 -0.44 -0.98 -4.88 119.66 124.51 1cd1 s GLN 6 Ca 0.77 1.45 0.08 0.00 -2.50 0.00 0.00 55.36 55.17 1cd1 s GLN 6 Cb -0.47 -3.45 -0.03 0.00 -1.64 0.00 0.00 33.01 27.42 1cd1 s GLN 6 CO 0.34 -0.05 -0.24 0.42 0.50 0.00 0.00 175.29 176.26 1cd1 s ILE 7 N 0.96 2.34 -0.07 -2.34 1.01 -1.26 -1.15 121.20 120.68 1cd1 s ILE 7 Ca 0.52 -1.29 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1cd1 s ILE 7 Cb -0.22 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.37 1cd1 s ILE 7 CO 0.28 0.38 0.15 -1.10 0.00 0.00 0.00 174.94 174.66 1cd1 s GLN 8 N -1.22 0.07 -0.09 2.79 -0.21 -0.40 -5.00 119.66 115.60 1cd1 s GLN 8 Ca 0.12 0.44 0.03 0.00 0.02 0.00 0.00 55.36 55.97 1cd1 s GLN 8 Cb -0.10 -0.21 -0.02 0.00 1.00 0.00 0.00 33.01 33.68 1cd1 s GLN 8 CO 0.03 -0.21 -0.18 0.08 -2.12 0.00 0.00 175.29 172.89 1cd1 s VAL 9 N 1.55 2.70 -0.24 1.09 1.01 -1.26 -0.82 120.40 124.43 1cd1 s VAL 9 Ca -0.05 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 1cd1 s VAL 9 Cb -0.12 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.33 1cd1 s VAL 9 CO -0.06 0.56 1.09 -0.72 0.00 0.00 0.00 175.10 175.97 1cd1 s TYR 10 N -0.09 -0.36 0.94 5.22 1.13 -0.88 -4.86 117.35 118.45 1cd1 s TYR 10 Ca -0.04 0.78 -0.14 0.00 -1.41 0.00 0.00 57.07 56.26 1cd1 s TYR 10 Cb -0.14 0.42 0.16 0.00 -1.10 0.00 0.00 41.96 41.30 1cd1 s TYR 10 CO 0.04 -0.23 1.18 -1.12 -2.51 0.00 0.00 175.55 172.91 1cd1 s SER 11 N -0.36 3.26 -0.20 -0.18 0.01 0.16 -0.82 113.70 115.57 1cd1 s SER 11 Ca 0.02 0.73 0.09 0.00 1.31 0.00 0.00 55.95 58.09 1cd1 s SER 11 Cb -0.03 -1.12 -0.18 0.00 0.21 0.00 0.00 66.02 64.90 1cd1 s SER 11 CO -0.05 -2.68 -0.07 -1.14 0.41 0.00 0.00 173.24 169.71 1cd1 n ARG 12 N -3.82 0.86 -4.51 12.44 0.63 -0.86 -4.75 116.66 116.66 1cd1 n ARG 12 Ca 0.10 0.06 -0.24 0.00 -0.92 0.00 0.00 57.85 56.84 1cd1 n ARG 12 Cb 0.60 -1.44 -0.11 0.00 0.45 0.00 0.00 32.46 31.96 1cd1 n ARG 12 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1cd1 s HIS 13 N -2.43 2.20 0.11 -0.14 3.76 -1.26 -5.02 115.29 112.50 1cd1 s HIS 13 Ca -0.19 -0.74 -0.31 0.00 -0.15 0.00 0.00 55.06 53.67 1cd1 s HIS 13 Cb 0.06 -1.42 -0.10 0.00 1.11 0.00 0.00 32.58 32.24 1cd1 s HIS 13 CO 0.61 0.29 1.86 -2.14 -0.85 0.00 0.00 174.74 174.51 1cd1 s PRO 14 N -3.76 4.14 -0.93 8.40 0.01 -1.26 -4.83 135.00 136.77 1cd1 s PRO 14 Ca 0.34 2.60 -0.27 0.00 0.01 0.00 0.00 61.00 63.68 1cd1 s PRO 14 Cb 0.07 -3.70 -0.24 0.00 0.01 0.00 0.00 34.50 30.64 1cd1 s PRO 14 CO 0.16 -0.87 2.01 -0.35 0.01 0.00 0.00 177.00 177.96 1cd1 n PRO 15 N 6.04 0.32 -3.11 5.54 -0.04 -1.26 -4.94 135.00 137.54 1cd1 n PRO 15 Ca 0.18 -1.71 -0.32 0.00 -0.04 0.00 0.00 63.50 61.61 1cd1 n PRO 15 Cb 0.39 -3.69 -0.06 0.00 -0.04 0.00 0.00 33.50 30.10 1cd1 n PRO 15 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1cd1 s GLU 16 N 7.97 3.94 0.14 0.54 2.56 -1.26 -4.99 118.70 127.61 1cd1 s GLU 16 Ca 0.78 0.60 -0.29 0.00 0.00 0.00 0.00 54.97 56.06 1cd1 s GLU 16 Cb -0.01 -2.44 -0.07 0.00 2.00 0.00 0.00 34.13 33.61 1cd1 s GLU 16 CO 0.20 0.13 0.91 -0.80 -0.56 0.00 0.00 175.26 175.14 1cd1 s ASN 17 N -2.45 7.49 0.00 -1.70 0.02 -1.26 -3.65 114.94 113.39 1cd1 s ASN 17 Ca 0.53 1.77 0.00 0.00 -1.02 0.00 0.00 52.86 54.14 1cd1 s ASN 17 Cb -0.10 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.60 1cd1 s ASN 17 CO 0.20 0.04 0.00 0.61 0.02 0.00 0.00 177.10 177.97 1cd1 n GLY 18 N 1.99 2.86 3.79 0.66 0.00 -0.17 -4.96 105.19 109.36 1cd1 n GLY 18 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1cd1 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cd1 s LYS 19 N -0.05 4.37 0.34 1.61 -0.14 -1.24 -4.91 119.74 119.71 1cd1 s LYS 19 Ca 0.00 0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 55.23 1cd1 s LYS 19 Cb 0.00 -3.27 -0.12 0.00 -1.68 0.00 0.00 37.83 32.76 1cd1 s LYS 19 CO 0.00 0.55 1.43 -0.35 -0.76 0.00 0.00 175.35 176.21 1cd1 n PRO 20 N 1.92 2.42 -3.94 -1.68 -0.04 -1.26 -3.76 135.00 128.66 1cd1 n PRO 20 Ca -0.08 0.85 -0.12 0.00 -0.04 0.00 0.00 63.50 64.12 1cd1 n PRO 20 Cb 0.50 -2.53 -0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1cd1 n PRO 20 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1cd1 s ASN 21 N -0.05 0.49 -0.03 3.54 3.84 -0.09 -5.00 114.94 117.64 1cd1 s ASN 21 Ca 0.57 -1.35 0.03 0.00 0.21 0.00 0.00 52.86 52.32 1cd1 s ASN 21 Cb -0.53 0.78 0.00 0.00 -0.55 0.00 0.00 41.25 40.95 1cd1 s ASN 21 CO 0.59 -1.54 -0.11 -0.63 -2.79 0.00 0.00 177.10 172.62 1cd1 s ILE 22 N -2.53 0.96 -0.32 -5.21 1.09 -1.26 -1.50 121.20 112.44 1cd1 s ILE 22 Ca 0.23 -0.45 -0.13 0.00 -1.10 0.00 0.00 60.65 59.20 1cd1 s ILE 22 Cb -0.03 -0.85 -0.03 0.00 -1.06 0.00 0.00 42.46 40.49 1cd1 s ILE 22 CO 0.16 0.29 0.24 -0.22 -0.10 0.00 0.00 174.94 175.32 1cd1 s LEU 23 N 0.18 4.31 -0.04 2.97 2.96 -0.31 -2.03 118.68 126.74 1cd1 s LEU 23 Ca -0.04 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.47 1cd1 s LEU 23 Cb -0.10 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1cd1 s LEU 23 CO 0.01 -0.18 0.50 0.20 -1.32 0.00 0.00 176.35 175.57 1cd1 s ASN 24 N 1.73 6.84 -0.26 3.68 0.01 -0.00 -1.21 114.94 125.73 1cd1 s ASN 24 Ca 0.07 1.00 0.02 0.00 -0.71 0.00 0.00 52.86 53.24 1cd1 s ASN 24 Cb -0.17 -2.31 0.07 0.00 0.41 0.00 0.00 41.25 39.25 1cd1 s ASN 24 CO 0.11 0.14 -0.06 0.00 -1.51 0.00 0.00 177.10 175.78 1cd1 s TYR 26 N 1.22 3.20 -0.04 0.00 5.04 0.00 -0.77 117.35 125.99 1cd1 s TYR 26 Ca -0.05 -0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 53.79 1cd1 s TYR 26 Cb -0.19 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1cd1 s TYR 26 CO -0.07 -0.54 0.08 0.08 -1.34 0.00 0.00 175.55 173.76 1cd1 s VAL 27 N 1.57 4.78 0.07 3.14 1.01 -0.30 -1.28 120.40 129.39 1cd1 s VAL 27 Ca 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1cd1 s VAL 27 Cb -0.18 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1cd1 s VAL 27 CO 0.06 0.44 0.09 0.41 0.00 0.00 0.00 175.10 176.10 1cd1 n THR 28 N 1.49 0.00 -0.37 3.92 -1.04 -0.30 -1.59 114.28 116.38 1cd1 n THR 28 Ca -0.15 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1cd1 n THR 28 Cb 0.53 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.25 1cd1 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cd1 n GLN 29 N -0.11 -0.64 -2.04 -2.82 3.00 -0.56 -2.32 117.38 111.90 1cd1 n GLN 29 Ca 0.00 0.09 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 1cd1 n GLN 29 Cb 0.11 -3.27 0.08 0.00 0.00 0.00 0.00 30.24 27.16 1cd1 n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1cd1 s PHE 30 N -0.56 2.96 0.00 1.08 -0.12 -1.25 -4.58 117.98 115.50 1cd1 s PHE 30 Ca 0.00 0.63 0.00 0.00 -0.05 0.00 0.00 56.93 57.51 1cd1 s PHE 30 Cb 0.00 -3.34 0.00 0.00 -0.63 0.00 0.00 43.02 39.05 1cd1 s PHE 30 CO 0.00 -1.58 0.00 1.58 -0.05 0.00 0.00 175.22 175.17 1cd1 n HIS 31 N -3.12 0.00 -1.09 3.49 -0.00 -1.26 -0.54 115.22 112.70 1cd1 n HIS 31 Ca 0.08 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.92 1cd1 n HIS 31 Cb 0.61 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 30.59 1cd1 n HIS 31 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1cd1 n PRO 32 N 0.00 0.13 -0.06 1.57 -0.02 -1.25 -1.30 135.00 134.08 1cd1 n PRO 32 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1cd1 n PRO 32 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1cd1 n PRO 32 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cd1 n PRO 33 N -2.60 0.67 -3.78 0.52 -0.04 -1.26 -4.54 135.00 123.96 1cd1 n PRO 33 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 1cd1 n PRO 33 Cb 0.51 -1.17 -0.16 0.00 -0.04 0.00 0.00 33.50 32.64 1cd1 n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1cd1 s HIS 34 N 0.39 1.58 -0.01 0.54 3.76 -1.26 -5.08 115.29 115.21 1cd1 s HIS 34 Ca 0.00 -1.36 -0.21 0.00 -0.15 0.00 0.00 55.06 53.34 1cd1 s HIS 34 Cb 0.00 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.35 1cd1 s HIS 34 CO 0.00 -0.73 0.47 -1.50 -0.85 0.00 0.00 174.74 172.12 1cd1 s ILE 35 N 1.67 0.04 -0.10 0.60 2.07 -1.26 -4.68 121.20 119.53 1cd1 s ILE 35 Ca 0.01 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 58.97 1cd1 s ILE 35 Cb -0.18 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.60 1cd1 s ILE 35 CO -0.13 -0.16 -0.14 -1.61 -1.91 0.00 0.00 174.94 170.99 1cd1 s GLU 36 N -1.58 2.08 0.02 3.50 0.41 -0.77 -5.00 118.70 117.36 1cd1 s GLU 36 Ca -0.11 -0.51 -0.10 0.00 -0.41 0.00 0.00 54.97 53.85 1cd1 s GLU 36 Cb -0.02 -1.80 -0.05 0.00 -1.78 0.00 0.00 34.13 30.47 1cd1 s GLU 36 CO 0.04 -0.08 0.33 0.42 -0.49 0.00 0.00 175.26 175.49 1cd1 s ILE 37 N 1.03 5.19 -0.02 -1.63 1.01 -1.26 -0.58 121.20 124.93 1cd1 s ILE 37 Ca -0.06 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1cd1 s ILE 37 Cb -0.15 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1cd1 s ILE 37 CO -0.02 0.42 -0.09 -1.10 0.00 0.00 0.00 174.94 174.15 1cd1 s GLN 38 N -1.57 0.93 -0.26 2.79 -0.21 0.60 -5.01 119.66 116.93 1cd1 s GLN 38 Ca 0.27 -0.30 -0.07 0.00 0.02 0.00 0.00 55.36 55.28 1cd1 s GLN 38 Cb -0.14 -0.87 -0.02 0.00 1.00 0.00 0.00 33.01 32.98 1cd1 s GLN 38 CO 0.15 0.11 0.07 -1.64 -2.12 0.00 0.00 175.29 171.86 1cd1 s MET 39 N 0.18 3.53 -0.11 2.91 -1.94 -1.26 -0.42 119.30 122.19 1cd1 s MET 39 Ca -0.03 -0.56 -0.02 0.00 -1.71 0.00 0.00 55.69 53.37 1cd1 s MET 39 Cb -0.08 -3.31 -0.03 0.00 2.01 0.00 0.00 34.83 33.41 1cd1 s MET 39 CO 0.00 -0.24 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.25 1cd1 s LEU 40 N 1.59 3.42 -0.46 -0.03 1.43 -1.12 0.22 118.68 123.73 1cd1 s LEU 40 Ca 0.06 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1cd1 s LEU 40 Cb -0.15 -1.79 0.14 0.00 0.03 0.00 0.00 46.19 44.41 1cd1 s LEU 40 CO 0.03 0.31 0.26 -0.75 0.23 0.00 0.00 176.35 176.42 1cd1 s LYS 41 N -0.45 1.39 0.00 1.70 2.20 0.50 -0.03 119.74 125.05 1cd1 s LYS 41 Ca 0.08 -2.13 0.00 0.00 -0.36 0.00 0.00 55.97 53.56 1cd1 s LYS 41 Cb -0.12 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 1cd1 s LYS 41 CO 0.02 -1.17 0.00 0.09 -0.36 0.00 0.00 175.35 173.93 1cd1 n ASN 42 N 3.40 -2.76 0.00 1.43 3.02 -0.29 -3.11 115.26 116.95 1cd1 n ASN 42 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1cd1 n ASN 42 Cb 0.35 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1cd1 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cd1 n GLY 43 N -2.92 2.71 3.84 7.41 0.00 -1.26 -5.05 105.19 109.92 1cd1 n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1cd1 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cd1 s LYS 44 N -0.96 3.93 0.17 1.61 1.02 -1.18 -5.00 119.74 119.32 1cd1 s LYS 44 Ca 0.00 0.43 -0.30 0.00 0.02 0.00 0.00 55.97 56.12 1cd1 s LYS 44 Cb 0.00 -3.22 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1cd1 s LYS 44 CO 0.00 0.69 1.20 0.15 -0.92 0.00 0.00 175.35 176.46 1cd1 s LYS 45 N -1.10 4.48 -0.12 1.68 1.02 -1.26 -0.37 119.74 124.07 1cd1 s LYS 45 Ca 0.24 1.86 -0.30 0.00 0.02 0.00 0.00 55.97 57.79 1cd1 s LYS 45 Cb -0.17 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1cd1 s LYS 45 CO 0.14 -0.11 1.21 0.42 -0.92 0.00 0.00 175.35 176.08 1cd1 s ILE 46 N 0.12 4.32 0.28 2.17 1.01 0.13 -4.90 121.20 124.35 1cd1 s ILE 46 Ca 0.54 1.62 -0.02 0.00 0.00 0.00 0.00 60.65 62.79 1cd1 s ILE 46 Cb -0.32 -4.04 0.20 0.00 0.01 0.00 0.00 42.46 38.30 1cd1 s ILE 46 CO 0.35 -0.08 1.88 1.55 0.00 0.00 0.00 174.94 178.65 1cd1 h PRO 47 N 7.78 0.96 -4.10 2.79 0.13 -1.94 -3.37 132.00 134.25 1cd1 h PRO 47 Ca -0.29 -0.13 -0.75 0.00 -0.87 0.00 0.00 66.00 63.95 1cd1 h PRO 47 Cb 1.13 -0.18 -0.26 0.00 0.13 0.00 0.00 31.00 31.81 1cd1 h PRO 47 CO 0.93 0.75 -0.24 0.15 -0.23 0.00 0.00 178.00 179.36 1cd1 s LYS 48 N -5.54 2.89 -0.02 0.86 1.02 -1.26 -5.04 119.74 112.66 1cd1 s LYS 48 Ca -0.11 -1.85 0.03 0.00 0.02 0.00 0.00 55.97 54.06 1cd1 s LYS 48 Cb 0.16 -4.18 -0.00 0.00 -0.52 0.00 0.00 37.83 33.29 1cd1 s LYS 48 CO 0.80 -1.28 -0.12 0.08 -0.92 0.00 0.00 175.35 173.92 1cd1 s VAL 49 N 1.28 0.94 -0.03 3.17 1.01 -1.26 -4.52 120.40 120.99 1cd1 s VAL 49 Ca 0.06 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1cd1 s VAL 49 Cb -0.26 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1cd1 s VAL 49 CO 0.00 0.27 -0.15 -1.61 0.00 0.00 0.00 175.10 173.62 1cd1 s GLU 50 N -0.10 2.44 0.16 2.72 2.02 -0.29 -4.94 118.70 120.70 1cd1 s GLU 50 Ca 0.01 -0.74 0.11 0.00 0.02 0.00 0.00 54.97 54.37 1cd1 s GLU 50 Cb -0.06 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 1cd1 s GLU 50 CO 0.00 0.61 -0.25 -1.64 0.02 0.00 0.00 175.26 174.00 1cd1 s MET 51 N -0.86 1.49 0.74 1.61 -1.94 -1.26 -0.27 119.30 118.80 1cd1 s MET 51 Ca 0.12 -1.42 -0.08 0.00 -1.71 0.00 0.00 55.69 52.59 1cd1 s MET 51 Cb -0.11 -1.89 0.07 0.00 2.01 0.00 0.00 34.83 34.91 1cd1 s MET 51 CO 0.01 0.43 1.07 -1.54 -0.01 0.00 0.00 175.02 174.98 1cd1 s SER 52 N -2.37 4.70 0.35 3.03 1.04 -0.45 -4.99 113.70 115.00 1cd1 s SER 52 Ca 0.18 0.55 -0.26 0.00 0.48 0.00 0.00 55.95 56.89 1cd1 s SER 52 Cb -0.09 -1.15 -0.09 0.00 0.10 0.00 0.00 66.02 64.79 1cd1 s SER 52 CO 0.08 -1.71 1.10 -1.81 0.98 0.00 0.00 173.24 171.89 1cd1 s ASP 53 N -4.54 6.89 0.36 7.02 1.11 -1.26 -4.71 116.67 121.54 1cd1 s ASP 53 Ca 0.61 2.21 -0.26 0.00 0.18 0.00 0.00 52.55 55.29 1cd1 s ASP 53 Cb -0.11 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 41.18 1cd1 s ASP 53 CO 0.46 -0.41 1.15 -0.32 1.18 0.00 0.00 175.17 177.24 1cd1 s MET 54 N -2.04 4.24 0.26 8.23 -2.45 -1.26 -4.86 119.30 121.41 1cd1 s MET 54 Ca 0.52 1.83 -0.09 0.00 -1.25 0.00 0.00 55.69 56.70 1cd1 s MET 54 Cb -0.28 -2.82 -0.01 0.00 1.25 0.00 0.00 34.83 32.97 1cd1 s MET 54 CO 0.36 -0.16 0.42 -1.12 1.05 0.00 0.00 175.02 175.57 1cd1 s SER 55 N -1.06 0.11 0.11 1.11 0.01 -1.17 -5.03 113.70 107.78 1cd1 s SER 55 Ca 0.53 -1.10 0.07 0.00 1.31 0.00 0.00 55.95 56.76 1cd1 s SER 55 Cb -0.31 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 1cd1 s SER 55 CO 0.39 -1.12 -0.17 0.72 0.41 0.00 0.00 173.24 173.47 1cd1 s PHE 56 N -3.87 1.53 0.67 2.43 -0.12 -1.26 -1.90 117.98 115.46 1cd1 s PHE 56 Ca 0.26 -0.47 -0.05 0.00 -0.05 0.00 0.00 56.93 56.62 1cd1 s PHE 56 Cb 0.01 -0.82 0.05 0.00 -0.63 0.00 0.00 43.02 41.63 1cd1 s PHE 56 CO 0.11 0.17 0.96 -1.12 -0.05 0.00 0.00 175.22 175.28 1cd1 s SER 57 N -2.11 4.94 0.00 1.98 0.01 -0.75 -4.92 113.70 112.84 1cd1 s SER 57 Ca 0.06 0.35 0.16 0.00 1.31 0.00 0.00 55.95 57.83 1cd1 s SER 57 Cb -0.08 -1.06 0.80 0.00 0.21 0.00 0.00 66.02 65.89 1cd1 s SER 57 CO 0.04 -1.48 1.43 1.17 0.41 0.00 0.00 173.24 174.81 1cd1 n LYS 58 N -2.78 0.25 -0.14 12.44 3.00 -1.26 0.42 118.16 130.09 1cd1 n LYS 58 Ca 0.08 0.13 0.08 0.00 -0.00 0.00 0.00 58.31 58.59 1cd1 n LYS 58 Cb 0.60 -1.50 0.24 0.00 0.00 0.00 0.00 35.03 34.38 1cd1 n LYS 58 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cd1 n ASP 59 N -1.26 1.76 0.00 3.14 5.75 -1.26 -4.91 116.55 119.77 1cd1 n ASP 59 Ca 0.08 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1cd1 n ASP 59 Cb 0.12 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1cd1 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1cd1 n TRP 60 N 0.43 0.00 -2.19 2.11 7.02 0.17 -5.01 117.44 119.97 1cd1 n TRP 60 Ca 0.13 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.29 1cd1 n TRP 60 Cb 0.30 -0.64 -0.01 0.00 -2.42 0.00 0.00 31.31 28.54 1cd1 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1cd1 s SER 61 N -2.70 6.21 0.79 -0.99 1.04 -1.26 -4.66 113.70 112.12 1cd1 s SER 61 Ca 0.00 1.66 -0.07 0.00 0.48 0.00 0.00 55.95 58.03 1cd1 s SER 61 Cb 0.00 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.74 1cd1 s SER 61 CO 0.00 -0.87 1.09 -0.36 0.98 0.00 0.00 173.24 174.08 1cd1 s PHE 62 N -2.61 1.91 -0.21 5.02 0.40 0.30 -1.81 117.98 120.98 1cd1 s PHE 62 Ca 0.61 0.07 -0.28 0.00 -0.60 0.00 0.00 56.93 56.72 1cd1 s PHE 62 Cb -0.13 -3.38 0.13 0.00 0.51 0.00 0.00 43.02 40.16 1cd1 s PHE 62 CO 0.36 -1.91 1.06 1.52 0.70 0.00 0.00 175.22 176.94 1cd1 s TYR 63 N -3.38 -0.36 0.04 0.36 -0.85 -0.80 -1.49 117.35 110.86 1cd1 s TYR 63 Ca 0.67 0.74 -0.27 0.00 -0.52 0.00 0.00 57.07 57.68 1cd1 s TYR 63 Cb -0.06 0.43 0.08 0.00 0.38 0.00 0.00 41.96 42.78 1cd1 s TYR 63 CO 0.47 -0.27 0.70 -1.50 -1.52 0.00 0.00 175.55 173.42 1cd1 s ILE 64 N -0.61 0.00 -0.28 -3.49 2.07 -0.62 -3.05 121.20 115.21 1cd1 s ILE 64 Ca 0.01 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1cd1 s ILE 64 Cb -0.02 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.66 1cd1 s ILE 64 CO -0.02 0.00 0.06 -0.22 -1.91 0.00 0.00 174.94 172.85 1cd1 s LEU 65 N -2.01 2.38 0.38 8.50 2.96 -1.26 -1.15 118.68 128.48 1cd1 s LEU 65 Ca -0.03 -1.50 -0.04 0.00 -0.22 0.00 0.00 54.13 52.34 1cd1 s LEU 65 Cb -0.01 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 1cd1 s LEU 65 CO -0.03 -0.37 0.65 0.00 -1.32 0.00 0.00 176.35 175.28 1cd1 s ALA 66 N 1.55 3.55 -0.13 5.97 0.00 0.05 -1.35 121.76 131.40 1cd1 s ALA 66 Ca 0.06 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1cd1 s ALA 66 Cb -0.18 -2.37 0.08 0.00 0.00 0.00 0.00 23.12 20.65 1cd1 s ALA 66 CO -0.18 -0.06 0.76 -3.38 0.00 0.00 0.00 175.76 172.90 1cd1 s HIS 67 N -2.40 -0.63 0.40 0.00 -0.00 0.62 -0.16 115.29 113.12 1cd1 s HIS 67 Ca 0.45 1.22 0.05 0.00 -0.00 0.00 0.00 55.06 56.78 1cd1 s HIS 67 Cb -0.10 0.38 -0.02 0.00 -0.00 0.00 0.00 32.58 32.84 1cd1 s HIS 67 CO 0.37 -0.50 0.20 -2.37 -0.00 0.00 0.00 174.74 172.44 1cd1 n THR 68 N 1.33 0.00 -3.79 -5.38 5.66 -0.35 -1.14 114.28 110.61 1cd1 n THR 68 Ca -0.16 -2.49 -0.36 0.00 -3.05 0.00 0.00 64.05 57.99 1cd1 n THR 68 Cb 0.57 1.01 -0.13 0.00 -1.55 0.00 0.00 70.33 70.23 1cd1 n THR 68 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1cd1 s GLU 69 N -3.54 3.64 0.14 1.09 8.01 -1.26 -1.16 118.70 125.61 1cd1 s GLU 69 Ca 0.28 -0.49 0.02 0.00 0.01 0.00 0.00 54.97 54.79 1cd1 s GLU 69 Cb 0.01 -3.28 -0.04 0.00 -4.31 0.00 0.00 34.13 26.51 1cd1 s GLU 69 CO 0.20 -0.17 -0.03 -0.59 0.01 0.00 0.00 175.26 174.68 1cd1 s PHE 70 N 1.54 1.05 -0.09 1.61 -0.71 -0.56 -4.90 117.98 115.91 1cd1 s PHE 70 Ca 0.06 -0.98 0.02 0.00 -1.04 0.00 0.00 56.93 54.99 1cd1 s PHE 70 Cb -0.15 -0.60 0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1cd1 s PHE 70 CO 0.03 -0.20 -0.15 0.99 -1.34 0.00 0.00 175.22 174.55 1cd1 s THR 71 N -3.66 1.43 0.12 -4.49 2.01 -1.26 -0.91 115.64 108.88 1cd1 s THR 71 Ca 0.18 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 1cd1 s THR 71 Cb 0.06 -1.30 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 1cd1 s THR 71 CO -0.00 0.42 1.47 -2.84 -0.69 0.00 0.00 174.62 172.99 1cd1 s PRO 72 N 0.81 4.27 0.02 4.92 0.02 -1.25 -4.93 135.00 138.86 1cd1 s PRO 72 Ca -0.11 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1cd1 s PRO 72 Cb -0.16 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 1cd1 s PRO 72 CO 0.01 -0.53 -0.02 0.95 -0.33 0.00 0.00 177.00 177.08 1cd1 s THR 73 N 1.38 0.11 0.65 0.99 -4.23 -1.26 -1.00 115.64 112.28 1cd1 s THR 73 Ca 0.67 -0.66 0.38 0.00 -1.18 0.00 0.00 61.69 60.90 1cd1 s THR 73 Cb -0.39 -0.21 0.39 0.00 1.34 0.00 0.00 72.50 73.63 1cd1 s THR 73 CO 0.30 -0.35 2.21 -0.33 -0.54 0.00 0.00 174.62 175.92 1cd1 h GLU 74 N 5.07 0.00 -0.23 3.99 3.07 -1.99 -1.59 114.58 122.91 1cd1 h GLU 74 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1cd1 h GLU 74 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1cd1 h GLU 74 CO 0.44 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.30 1cd1 n THR 75 N -3.17 0.62 -4.73 1.13 -2.24 -1.26 -5.05 114.28 99.57 1cd1 n THR 75 Ca -0.02 -0.81 -0.32 0.00 -2.27 0.00 0.00 64.05 60.63 1cd1 n THR 75 Cb 0.19 0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 69.07 1cd1 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1cd1 s ASP 76 N -0.98 4.11 0.00 3.42 1.01 -0.60 -5.10 116.67 118.53 1cd1 s ASP 76 Ca 0.20 -0.24 0.07 0.00 0.71 0.00 0.00 52.55 53.29 1cd1 s ASP 76 Cb 0.11 -0.84 -0.02 0.00 1.01 0.00 0.00 42.92 43.18 1cd1 s ASP 76 CO 0.16 0.31 -0.23 0.42 0.21 0.00 0.00 175.17 176.03 1cd1 s THR 77 N -0.84 1.83 0.12 -1.27 -4.23 -1.26 -4.72 115.64 105.26 1cd1 s THR 77 Ca 0.13 -1.08 0.07 0.00 -1.18 0.00 0.00 61.69 59.63 1cd1 s THR 77 Cb -0.11 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1cd1 s THR 77 CO 0.03 0.43 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.07 1cd1 s TYR 78 N -0.63 1.54 0.31 3.99 1.51 -1.26 -1.14 117.35 121.67 1cd1 s TYR 78 Ca 0.09 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.57 1cd1 s TYR 78 Cb -0.09 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 40.98 1cd1 s TYR 78 CO 0.00 0.18 0.58 0.00 -1.11 0.00 0.00 175.55 175.19 1cd1 n ALA 79 N 0.77 -1.18 -3.54 3.71 0.00 0.96 -0.53 120.51 120.70 1cd1 n ALA 79 Ca -0.17 -1.06 -0.22 0.00 0.00 0.00 0.00 53.44 51.99 1cd1 n ALA 79 Cb 0.56 0.85 -0.14 0.00 0.00 0.00 0.00 19.45 20.71 1cd1 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cd1 s ARG 81 N 2.24 4.03 -0.12 0.00 3.52 0.44 -2.75 118.95 126.31 1cd1 s ARG 81 Ca 0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 1cd1 s ARG 81 Cb -0.16 -3.62 -0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1cd1 s ARG 81 CO -0.14 -0.17 -0.20 0.08 -0.81 0.00 0.00 175.30 174.05 1cd1 s VAL 82 N 1.75 2.34 -0.32 7.11 1.01 -0.14 -0.29 120.40 131.85 1cd1 s VAL 82 Ca 0.13 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1cd1 s VAL 82 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1cd1 s VAL 82 CO 0.09 0.54 0.21 -0.54 0.00 0.00 0.00 175.10 175.40 1cd1 s LYS 83 N 0.54 3.55 0.04 2.72 1.02 0.25 -2.11 119.74 125.75 1cd1 s LYS 83 Ca -0.12 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1cd1 s LYS 83 Cb -0.17 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1cd1 s LYS 83 CO 0.04 -0.38 -0.04 -1.58 -0.92 0.00 0.00 175.35 172.47 1cd1 s HIS 84 N 1.70 0.46 0.06 3.18 2.46 -1.26 -1.84 115.29 120.05 1cd1 s HIS 84 Ca 0.06 -0.70 0.27 0.00 0.47 0.00 0.00 55.06 55.16 1cd1 s HIS 84 Cb -0.17 -0.31 1.01 0.00 -0.13 0.00 0.00 32.58 32.98 1cd1 s HIS 84 CO 0.09 -0.22 1.85 -0.44 -2.47 0.00 0.00 174.74 173.56 1cd1 h ASP 85 N 4.07 0.00 -0.71 9.88 3.32 -1.93 -1.44 116.42 129.61 1cd1 h ASP 85 Ca -0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1cd1 h ASP 85 Cb 1.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1cd1 h ASP 85 CO 0.50 0.13 0.39 0.77 -1.72 0.00 0.00 179.24 179.31 1cd1 h SER 86 N 0.00 0.89 -3.40 6.45 4.64 -1.94 -3.40 113.55 116.80 1cd1 h SER 86 Ca -0.00 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.71 1cd1 h SER 86 Cb 0.70 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1cd1 h SER 86 CO 0.02 0.72 0.40 -0.04 -0.87 0.00 0.00 176.83 177.05 1cd1 s MET 87 N -5.67 4.56 0.17 4.77 -1.94 -0.54 -4.91 119.30 115.73 1cd1 s MET 87 Ca -0.11 1.47 0.04 0.00 -1.71 0.00 0.00 55.69 55.38 1cd1 s MET 87 Cb 0.17 -3.43 0.01 0.00 2.01 0.00 0.00 34.83 33.58 1cd1 s MET 87 CO 0.80 -0.05 1.39 0.00 -0.01 0.00 0.00 175.02 177.14 1cd1 h ALA 88 N 6.66 0.55 -2.82 3.03 0.00 -1.79 -3.44 119.26 121.44 1cd1 h ALA 88 Ca -0.41 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 53.63 1cd1 h ALA 88 Cb 1.22 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 1cd1 h ALA 88 CO 0.75 0.94 -0.32 -2.00 0.00 0.00 0.00 179.25 178.62 1cd1 s GLU 89 N -3.19 0.39 0.15 0.00 2.12 -1.26 -5.13 118.70 111.78 1cd1 s GLU 89 Ca -0.02 0.58 -0.25 0.00 0.36 0.00 0.00 54.97 55.64 1cd1 s GLU 89 Cb 0.10 0.10 -0.15 0.00 0.26 0.00 0.00 34.13 34.45 1cd1 s GLU 89 CO 0.82 -0.09 0.49 -2.30 -0.54 0.00 0.00 175.26 173.63 1cd1 n PRO 90 N 3.43 0.00 -4.02 4.30 -0.02 -1.26 -4.97 135.00 132.46 1cd1 n PRO 90 Ca -0.17 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.97 1cd1 n PRO 90 Cb 0.56 -0.89 -0.06 0.00 -0.02 0.00 0.00 33.50 33.09 1cd1 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1cd1 s LYS 91 N -0.77 3.25 -0.07 -0.52 2.20 -0.90 -4.93 119.74 118.01 1cd1 s LYS 91 Ca 0.57 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1cd1 s LYS 91 Cb -0.82 -2.99 0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1cd1 s LYS 91 CO 0.48 0.68 -0.00 0.99 -0.36 0.00 0.00 175.35 177.14 1cd1 s THR 92 N -1.19 0.37 -0.01 3.43 2.01 -1.26 -0.97 115.64 118.03 1cd1 s THR 92 Ca 0.22 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1cd1 s THR 92 Cb -0.12 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1cd1 s THR 92 CO 0.13 0.25 0.04 0.68 -0.69 0.00 0.00 174.62 175.03 1cd1 s VAL 93 N 1.86 4.46 0.19 3.82 -7.23 -1.11 -4.95 120.40 117.44 1cd1 s VAL 93 Ca 0.03 -0.49 0.06 0.00 -1.81 0.00 0.00 61.98 59.77 1cd1 s VAL 93 Cb -0.12 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 1cd1 s VAL 93 CO -0.05 0.37 0.10 -0.31 -0.31 0.00 0.00 175.10 174.91 1cd1 s TYR 94 N -1.14 3.04 0.15 2.82 1.51 -1.26 -1.87 117.35 120.60 1cd1 s TYR 94 Ca 0.21 -0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 55.92 1cd1 s TYR 94 Cb -0.12 -1.44 -0.07 0.00 -0.11 0.00 0.00 41.96 40.22 1cd1 s TYR 94 CO 0.12 0.53 0.85 -0.46 -1.11 0.00 0.00 175.55 175.48 1cd1 s TRP 95 N -1.85 3.87 0.15 2.71 -0.00 0.31 -4.91 118.94 119.23 1cd1 s TRP 95 Ca 0.30 1.71 -0.04 0.00 -0.00 0.00 0.00 56.10 58.07 1cd1 s TRP 95 Cb -0.09 -2.89 -0.05 0.00 -0.00 0.00 0.00 33.47 30.43 1cd1 s TRP 95 CO 0.22 0.39 0.39 0.16 -0.00 0.00 0.00 176.95 178.11 1cd1 s ASP 96 N -0.69 6.48 -0.09 5.86 -4.77 -1.26 -4.70 116.67 117.50 1cd1 s ASP 96 Ca 0.40 0.58 -0.03 0.00 -3.30 0.00 0.00 52.55 50.20 1cd1 s ASP 96 Cb -0.23 -2.09 -0.08 0.00 -1.09 0.00 0.00 42.92 39.43 1cd1 s ASP 96 CO 0.28 0.03 2.75 -1.14 0.70 0.00 0.00 175.17 177.79 1cd1 n ARG 97 N -0.01 1.65 0.09 2.11 0.63 -1.26 -3.66 116.66 116.21 1cd1 n ARG 97 Ca -0.02 -0.84 0.00 0.00 -0.92 0.00 0.00 57.85 56.07 1cd1 n ARG 97 Cb 0.52 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.83 1cd1 n ARG 97 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1cd1 n ASP 98 N 1.71 0.45 0.00 6.15 8.00 -1.26 -4.99 116.55 126.60 1cd1 n ASP 98 Ca 0.26 0.29 0.05 0.00 0.71 0.00 0.00 54.79 56.09 1cd1 n ASP 98 Cb 0.69 0.02 0.27 0.00 -0.02 0.00 0.00 41.12 42.08 1cd1 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04