#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 0.03 -0.06 0.38 0.00 -1.26 -4.06 119.66 114.69 1cd1 s GLN 2 Ca 0.00 0.30 -0.04 0.00 -0.00 0.00 0.00 55.36 55.62 1cd1 s GLN 2 Cb 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 33.01 32.82 1cd1 s GLN 2 CO 0.00 -0.17 0.15 0.15 0.00 0.00 0.00 175.29 175.42 1cd1 s LYS 3 N 1.16 0.15 -0.02 9.60 1.02 -0.55 -4.95 119.74 126.15 1cd1 s LYS 3 Ca -0.09 0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.88 1cd1 s LYS 3 Cb -0.12 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 1cd1 s LYS 3 CO -0.05 -0.08 1.06 0.95 -0.92 0.00 0.00 175.35 176.32 1cd1 s THR 4 N 0.52 4.60 0.14 2.17 -4.23 -1.26 -2.62 115.64 114.95 1cd1 s THR 4 Ca -0.04 1.87 -0.31 0.00 -1.18 0.00 0.00 61.69 62.03 1cd1 s THR 4 Cb -0.05 -4.20 -0.09 0.00 1.34 0.00 0.00 72.50 69.50 1cd1 s THR 4 CO -0.02 0.10 1.58 -2.16 -0.54 0.00 0.00 174.62 173.57 1cd1 s PRO 5 N 1.39 4.22 0.22 3.99 0.04 -1.26 -4.55 135.00 139.05 1cd1 s PRO 5 Ca 0.53 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.62 1cd1 s PRO 5 Cb -0.23 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 1cd1 s PRO 5 CO 0.25 -0.63 0.91 -1.14 0.04 0.00 0.00 177.00 176.43 1cd1 s GLN 6 N 1.52 4.80 -0.01 4.56 -0.44 -0.23 -4.85 119.66 125.01 1cd1 s GLN 6 Ca 0.71 1.43 0.07 0.00 -2.50 0.00 0.00 55.36 55.06 1cd1 s GLN 6 Cb -0.42 -3.28 -0.02 0.00 -1.64 0.00 0.00 33.01 27.64 1cd1 s GLN 6 CO 0.31 0.52 -0.22 0.42 0.50 0.00 0.00 175.29 176.83 1cd1 s ILE 7 N -1.14 2.43 -0.10 -2.34 1.01 -1.26 -1.00 121.20 118.80 1cd1 s ILE 7 Ca 0.40 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1cd1 s ILE 7 Cb -0.25 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.36 1cd1 s ILE 7 CO 0.31 0.53 0.20 -1.10 0.00 0.00 0.00 174.94 174.88 1cd1 s GLN 8 N -0.81 0.09 -0.11 2.79 -0.21 -0.45 -4.96 119.66 115.99 1cd1 s GLN 8 Ca 0.11 0.60 -0.02 0.00 0.02 0.00 0.00 55.36 56.08 1cd1 s GLN 8 Cb -0.10 -0.18 -0.03 0.00 1.00 0.00 0.00 33.01 33.70 1cd1 s GLN 8 CO 0.00 -0.28 -0.04 0.08 -2.12 0.00 0.00 175.29 172.94 1cd1 s VAL 9 N 2.16 3.93 -0.02 1.09 1.01 -1.26 0.47 120.40 127.77 1cd1 s VAL 9 Ca 0.01 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1cd1 s VAL 9 Cb -0.12 -2.67 0.10 0.00 0.00 0.00 0.00 36.38 33.69 1cd1 s VAL 9 CO -0.07 0.55 0.86 -0.72 0.00 0.00 0.00 175.10 175.72 1cd1 s TYR 10 N -0.27 -0.40 0.73 5.22 1.13 -0.58 -4.85 117.35 118.32 1cd1 s TYR 10 Ca 0.05 0.40 -0.03 0.00 -1.41 0.00 0.00 57.07 56.08 1cd1 s TYR 10 Cb -0.13 0.51 0.15 0.00 -1.10 0.00 0.00 41.96 41.39 1cd1 s TYR 10 CO 0.02 -0.54 0.99 0.43 -2.51 0.00 0.00 175.55 173.94 1cd1 n SER 11 N 0.05 1.06 -0.06 -0.18 7.64 0.68 0.15 113.62 122.96 1cd1 n SER 11 Ca -0.11 -1.96 -0.07 0.00 1.01 0.00 0.00 58.87 57.74 1cd1 n SER 11 Cb 0.61 -0.67 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 1cd1 n SER 11 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1cd1 n ARG 12 N -2.89 1.68 -4.35 1.43 0.63 -0.82 -4.76 116.66 107.57 1cd1 n ARG 12 Ca 0.15 0.02 -0.18 0.00 -0.92 0.00 0.00 57.85 56.92 1cd1 n ARG 12 Cb 0.55 -1.30 -0.10 0.00 0.45 0.00 0.00 32.46 32.06 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 -2.29 1.70 0.10 -0.14 3.76 -1.26 -5.04 115.29 112.12 1cd1 s HIS 13 Ca -0.09 -0.62 -0.31 0.00 -0.15 0.00 0.00 55.06 53.88 1cd1 s HIS 13 Cb 0.04 -0.83 -0.10 0.00 1.11 0.00 0.00 32.58 32.80 1cd1 s HIS 13 CO 0.45 0.30 1.75 -1.25 -0.85 0.00 0.00 174.74 175.14 1cd1 s PRO 14 N -3.68 4.16 0.48 8.40 0.04 -1.26 -4.90 135.00 138.25 1cd1 s PRO 14 Ca 0.23 2.48 -0.22 0.00 0.04 0.00 0.00 61.00 63.53 1cd1 s PRO 14 Cb 0.00 -3.58 -0.07 0.00 0.04 0.00 0.00 34.50 30.90 1cd1 s PRO 14 CO 0.07 -0.79 1.16 -1.25 0.04 0.00 0.00 177.00 176.23 1cd1 s PRO 15 N 2.63 3.66 -0.21 0.56 0.04 -1.26 -5.03 135.00 135.39 1cd1 s PRO 15 Ca 0.78 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 1cd1 s PRO 15 Cb -0.43 -2.32 0.09 0.00 0.04 0.00 0.00 34.50 31.88 1cd1 s PRO 15 CO 0.34 -0.62 0.46 -2.00 0.04 0.00 0.00 177.00 175.22 1cd1 s GLU 16 N -2.83 0.38 -0.41 4.56 2.12 -1.26 -5.09 118.70 116.17 1cd1 s GLU 16 Ca 0.66 1.05 -0.42 0.00 0.36 0.00 0.00 54.97 56.62 1cd1 s GLU 16 Cb -0.28 0.33 -0.17 0.00 0.26 0.00 0.00 34.13 34.28 1cd1 s GLU 16 CO 0.33 -0.23 1.92 0.09 -0.54 0.00 0.00 175.26 176.84 1cd1 n ASN 17 N 5.17 1.60 0.00 -1.70 3.02 -1.26 -0.72 115.26 121.37 1cd1 n ASN 17 Ca -0.12 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1cd1 n ASN 17 Cb 0.51 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1cd1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cd1 n GLY 18 N 5.61 3.21 3.66 7.41 0.00 0.41 -5.01 105.19 120.48 1cd1 n GLY 18 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.45 4.25 0.52 1.61 -0.14 0.10 -4.90 119.74 120.73 1cd1 s LYS 19 Ca 0.00 1.04 -0.19 0.00 -1.36 0.00 0.00 55.97 55.46 1cd1 s LYS 19 Cb 0.00 -3.61 -0.12 0.00 -1.68 0.00 0.00 37.83 32.42 1cd1 s LYS 19 CO 0.00 -0.44 0.30 -2.30 -0.76 0.00 0.00 175.35 172.14 1cd1 n PRO 20 N 5.68 0.33 -2.24 -1.68 -0.02 -1.26 -4.26 135.00 131.55 1cd1 n PRO 20 Ca 0.06 0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1cd1 n PRO 20 Cb 0.48 -1.41 0.01 0.00 -0.02 0.00 0.00 33.50 32.56 1cd1 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1cd1 n ASN 21 N 1.34 -0.98 -3.90 2.55 2.85 0.83 -4.96 115.26 112.99 1cd1 n ASN 21 Ca 0.10 -1.66 -0.22 0.00 -0.11 0.00 0.00 54.58 52.69 1cd1 n ASN 21 Cb 0.46 1.63 -0.17 0.00 1.24 0.00 0.00 39.78 42.94 1cd1 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1cd1 s ILE 22 N -2.58 0.68 -0.27 -1.44 1.09 -1.26 -1.54 121.20 115.88 1cd1 s ILE 22 Ca 0.07 -0.17 -0.11 0.00 -1.10 0.00 0.00 60.65 59.35 1cd1 s ILE 22 Cb -0.02 -0.70 -0.05 0.00 -1.06 0.00 0.00 42.46 40.63 1cd1 s ILE 22 CO 0.05 0.27 0.17 -0.22 -0.10 0.00 0.00 174.94 175.11 1cd1 s LEU 23 N 1.14 3.99 -0.12 2.97 2.96 0.23 -1.95 118.68 127.91 1cd1 s LEU 23 Ca -0.07 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1cd1 s LEU 23 Cb -0.14 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1cd1 s LEU 23 CO -0.01 -0.02 0.11 0.20 -1.32 0.00 0.00 176.35 175.31 1cd1 s ASN 24 N 1.58 6.11 -0.22 3.68 0.01 0.12 -0.87 114.94 125.36 1cd1 s ASN 24 Ca 0.07 0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1cd1 s ASN 24 Cb -0.15 -1.95 0.05 0.00 0.41 0.00 0.00 41.25 39.61 1cd1 s ASN 24 CO 0.09 0.38 -0.06 0.00 -1.51 0.00 0.00 177.10 176.00 1cd1 s TYR 26 N 1.46 3.35 0.08 0.00 5.04 0.18 -1.60 117.35 125.86 1cd1 s TYR 26 Ca -0.04 -1.59 -0.18 0.00 -2.44 0.00 0.00 57.07 52.83 1cd1 s TYR 26 Cb -0.18 -3.07 -0.07 0.00 0.35 0.00 0.00 41.96 38.99 1cd1 s TYR 26 CO -0.07 -0.88 0.54 0.08 -1.34 0.00 0.00 175.55 173.89 1cd1 s VAL 27 N 1.42 4.80 0.36 3.14 1.01 -0.84 -1.34 120.40 128.94 1cd1 s VAL 27 Ca 0.04 1.10 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 1cd1 s VAL 27 Cb -0.24 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1cd1 s VAL 27 CO 0.02 0.51 0.64 -0.89 0.00 0.00 0.00 175.10 175.37 1cd1 s THR 28 N -1.17 0.00 0.00 3.92 2.01 -0.17 -1.75 115.64 118.49 1cd1 s THR 28 Ca 0.30 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1cd1 s THR 28 Cb -0.18 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1cd1 s THR 28 CO 0.18 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1cd1 n GLN 29 N -0.54 -0.97 -2.34 4.92 3.00 -0.03 -1.06 117.38 120.36 1cd1 n GLN 29 Ca -0.04 0.22 -0.26 0.00 -0.01 0.00 0.00 57.00 56.92 1cd1 n GLN 29 Cb 0.61 -4.49 0.05 0.00 0.00 0.00 0.00 30.24 26.40 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 -0.92 3.09 -0.30 1.08 -0.71 -1.24 -4.50 117.98 114.49 1cd1 s PHE 30 Ca 0.00 0.52 -0.16 0.00 -1.04 0.00 0.00 56.93 56.25 1cd1 s PHE 30 Cb 0.00 -2.92 0.20 0.00 -1.21 0.00 0.00 43.02 39.09 1cd1 s PHE 30 CO 0.00 -1.06 1.21 -1.58 -1.34 0.00 0.00 175.22 172.45 1cd1 s HIS 31 N -3.08 -0.17 1.16 3.49 2.46 -1.08 -1.10 115.29 116.98 1cd1 s HIS 31 Ca 0.57 0.33 -0.13 0.00 0.47 0.00 0.00 55.06 56.30 1cd1 s HIS 31 Cb -0.11 0.10 0.28 0.00 -0.13 0.00 0.00 32.58 32.72 1cd1 s HIS 31 CO 0.44 -0.08 1.03 -2.14 -2.47 0.00 0.00 174.74 171.52 1cd1 s PRO 32 N 1.13 -0.89 -0.12 2.88 0.02 -1.26 -1.49 135.00 135.28 1cd1 s PRO 32 Ca -0.08 0.80 -0.00 0.00 0.02 0.00 0.00 61.00 61.73 1cd1 s PRO 32 Cb -0.02 -1.56 0.10 0.00 0.02 0.00 0.00 34.50 33.03 1cd1 s PRO 32 CO -0.11 -3.69 1.82 -0.35 -0.33 0.00 0.00 177.00 174.34 1cd1 n PRO 33 N -4.89 1.31 -3.79 5.54 -0.04 -1.26 -4.65 135.00 127.23 1cd1 n PRO 33 Ca 0.03 -0.63 -0.30 0.00 -0.04 0.00 0.00 63.50 62.56 1cd1 n PRO 33 Cb 0.55 -1.25 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.73 2.30 -0.01 0.54 3.76 -1.26 -5.07 115.29 114.82 1cd1 s HIS 34 Ca 0.12 -2.40 -0.05 0.00 -0.15 0.00 0.00 55.06 52.59 1cd1 s HIS 34 Cb 0.10 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1cd1 s HIS 34 CO 0.00 -0.83 0.10 -1.50 -0.85 0.00 0.00 174.74 171.66 1cd1 s ILE 35 N 0.74 0.06 -0.23 0.60 2.07 -1.26 -4.40 121.20 118.77 1cd1 s ILE 35 Ca 0.14 -0.49 -0.04 0.00 -1.41 0.00 0.00 60.65 58.85 1cd1 s ILE 35 Cb -0.22 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1cd1 s ILE 35 CO -0.08 -0.27 -0.03 -0.70 -1.91 0.00 0.00 174.94 171.94 1cd1 s GLU 36 N -0.90 3.24 -0.05 3.50 2.56 -0.81 -4.98 118.70 121.27 1cd1 s GLU 36 Ca -0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 54.97 54.10 1cd1 s GLU 36 Cb -0.06 -3.04 -0.04 0.00 2.00 0.00 0.00 34.13 32.99 1cd1 s GLU 36 CO 0.01 -0.26 0.18 0.42 -0.56 0.00 0.00 175.26 175.05 1cd1 s ILE 37 N 1.45 5.44 -0.05 -3.70 1.01 -1.26 -1.75 121.20 122.33 1cd1 s ILE 37 Ca 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1cd1 s ILE 37 Cb -0.15 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.87 1cd1 s ILE 37 CO -0.03 0.46 0.12 -1.58 0.00 0.00 0.00 174.94 173.91 1cd1 s GLN 38 N -1.50 0.06 -0.14 2.79 0.74 -0.24 -5.02 119.66 116.34 1cd1 s GLN 38 Ca 0.22 0.33 -0.02 0.00 0.05 0.00 0.00 55.36 55.94 1cd1 s GLN 38 Cb -0.13 -0.20 -0.02 0.00 1.10 0.00 0.00 33.01 33.77 1cd1 s GLN 38 CO 0.12 -0.17 -0.08 -1.64 -0.55 0.00 0.00 175.29 172.97 1cd1 s MET 39 N 1.15 3.54 -0.10 1.67 -1.94 -1.26 -1.18 119.30 121.18 1cd1 s MET 39 Ca -0.09 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 1cd1 s MET 39 Cb -0.12 -2.78 -0.02 0.00 2.01 0.00 0.00 34.83 33.92 1cd1 s MET 39 CO -0.05 0.23 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.56 1cd1 s LEU 40 N 0.35 2.83 -0.24 -0.03 1.43 0.02 0.54 118.68 123.57 1cd1 s LEU 40 Ca -0.07 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1cd1 s LEU 40 Cb -0.15 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1cd1 s LEU 40 CO 0.04 0.25 -0.08 -0.75 0.23 0.00 0.00 176.35 176.04 1cd1 s LYS 41 N -0.13 2.79 -1.20 1.70 2.20 0.11 0.57 119.74 125.79 1cd1 s LYS 41 Ca -0.00 -1.00 -0.09 0.00 -0.36 0.00 0.00 55.97 54.51 1cd1 s LYS 41 Cb -0.13 -2.95 0.07 0.00 -1.51 0.00 0.00 37.83 33.31 1cd1 s LYS 41 CO 0.03 -0.40 0.42 0.09 -0.36 0.00 0.00 175.35 175.13 1cd1 n ASN 42 N 4.64 -3.29 0.00 1.43 4.13 0.25 -1.21 115.26 121.21 1cd1 n ASN 42 Ca -0.17 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.76 1cd1 n ASN 42 Cb 0.47 -2.76 0.00 0.00 -1.54 0.00 0.00 39.78 35.95 1cd1 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cd1 n GLY 43 N -1.07 2.80 3.89 7.41 0.00 -1.26 -5.04 105.19 111.91 1cd1 n GLY 43 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.21 3.73 0.36 1.61 1.02 -0.35 -5.02 119.74 120.88 1cd1 s LYS 44 Ca 0.00 0.29 -0.14 0.00 0.02 0.00 0.00 55.97 56.15 1cd1 s LYS 44 Cb 0.00 -2.50 -0.08 0.00 -0.52 0.00 0.00 37.83 34.73 1cd1 s LYS 44 CO 0.00 0.08 0.76 0.15 -0.92 0.00 0.00 175.35 175.42 1cd1 s LYS 45 N -3.67 3.93 -0.03 1.68 1.02 -1.26 0.07 119.74 121.47 1cd1 s LYS 45 Ca 0.48 0.63 -0.20 0.00 0.02 0.00 0.00 55.97 56.90 1cd1 s LYS 45 Cb -0.10 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1cd1 s LYS 45 CO 0.30 0.07 0.58 0.42 -0.92 0.00 0.00 175.35 175.80 1cd1 s ILE 46 N -2.14 4.97 0.03 2.17 1.01 0.19 -4.69 121.20 122.74 1cd1 s ILE 46 Ca 0.54 1.20 -0.16 0.00 0.00 0.00 0.00 60.65 62.23 1cd1 s ILE 46 Cb -0.10 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 1cd1 s ILE 46 CO 0.22 0.39 1.24 1.55 0.00 0.00 0.00 174.94 178.35 1cd1 h PRO 47 N 5.88 -0.50 -4.67 2.79 0.13 -1.97 -3.41 132.00 130.25 1cd1 h PRO 47 Ca -0.44 0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.03 1cd1 h PRO 47 Cb 1.20 0.11 -0.22 0.00 0.13 0.00 0.00 31.00 32.22 1cd1 h PRO 47 CO 0.71 -0.33 -0.51 0.21 -0.23 0.00 0.00 178.00 177.84 1cd1 s LYS 48 N -4.24 3.16 -0.10 0.86 2.36 -1.26 -5.02 119.74 115.50 1cd1 s LYS 48 Ca -0.08 -0.86 0.02 0.00 -2.55 0.00 0.00 55.97 52.50 1cd1 s LYS 48 Cb 0.01 -3.72 0.01 0.00 -1.05 0.00 0.00 37.83 33.08 1cd1 s LYS 48 CO 0.25 -0.55 -0.14 0.08 1.55 0.00 0.00 175.35 176.54 1cd1 s VAL 49 N 1.63 1.40 0.00 4.02 1.01 -1.26 -4.65 120.40 122.55 1cd1 s VAL 49 Ca 0.04 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1cd1 s VAL 49 Cb -0.18 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 1cd1 s VAL 49 CO 0.08 0.42 0.57 -0.70 0.00 0.00 0.00 175.10 175.47 1cd1 s GLU 50 N 0.93 4.28 0.05 2.72 2.56 0.13 -4.83 118.70 124.54 1cd1 s GLU 50 Ca -0.08 0.70 0.08 0.00 0.00 0.00 0.00 54.97 55.67 1cd1 s GLU 50 Cb -0.15 -3.32 -0.03 0.00 2.00 0.00 0.00 34.13 32.63 1cd1 s GLU 50 CO -0.00 0.42 -0.24 -1.64 -0.56 0.00 0.00 175.26 173.24 1cd1 s MET 51 N -0.34 1.60 0.62 4.30 -1.94 -1.26 0.73 119.30 123.00 1cd1 s MET 51 Ca 0.30 -1.05 -0.11 0.00 -1.71 0.00 0.00 55.69 53.13 1cd1 s MET 51 Cb -0.18 -1.76 0.15 0.00 2.01 0.00 0.00 34.83 35.04 1cd1 s MET 51 CO 0.17 0.45 0.75 -1.13 -0.01 0.00 0.00 175.02 175.25 1cd1 n SER 52 N 1.77 -0.43 -4.82 3.03 3.41 -0.76 -4.98 113.62 110.83 1cd1 n SER 52 Ca -0.17 -1.17 -0.38 0.00 -0.26 0.00 0.00 58.87 56.89 1cd1 n SER 52 Cb 0.53 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1cd1 n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1cd1 s ASP 53 N -3.70 7.01 0.14 4.04 1.01 -1.26 -4.76 116.67 119.15 1cd1 s ASP 53 Ca 0.44 1.22 -0.30 0.00 0.71 0.00 0.00 52.55 54.61 1cd1 s ASP 53 Cb -0.02 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 1cd1 s ASP 53 CO 0.32 0.24 1.27 -0.32 0.21 0.00 0.00 175.17 176.89 1cd1 s MET 54 N -1.27 4.41 0.29 8.23 -2.45 -1.26 -4.82 119.30 122.43 1cd1 s MET 54 Ca 0.30 1.94 0.04 0.00 -1.25 0.00 0.00 55.69 56.72 1cd1 s MET 54 Cb -0.19 -3.26 -0.03 0.00 1.25 0.00 0.00 34.83 32.60 1cd1 s MET 54 CO 0.19 -0.26 0.25 -1.12 1.05 0.00 0.00 175.02 175.13 1cd1 s SER 55 N 0.68 1.13 0.05 1.11 0.01 -1.21 -5.02 113.70 110.45 1cd1 s SER 55 Ca 0.58 -1.62 0.03 0.00 1.31 0.00 0.00 55.95 56.26 1cd1 s SER 55 Cb -0.34 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.38 1cd1 s SER 55 CO 0.33 -1.01 -0.09 0.72 0.41 0.00 0.00 173.24 173.60 1cd1 s PHE 56 N -3.65 0.81 0.90 2.43 -0.12 -1.26 -2.30 117.98 114.79 1cd1 s PHE 56 Ca 0.39 -0.46 -0.13 0.00 -0.05 0.00 0.00 56.93 56.68 1cd1 s PHE 56 Cb 0.04 -0.48 0.17 0.00 -0.63 0.00 0.00 43.02 42.12 1cd1 s PHE 56 CO 0.22 -0.04 1.25 -1.12 -0.05 0.00 0.00 175.22 175.48 1cd1 s SER 57 N -1.50 3.52 0.00 1.98 0.01 -0.67 -4.87 113.70 112.16 1cd1 s SER 57 Ca -0.07 0.27 0.25 0.00 1.31 0.00 0.00 55.95 57.72 1cd1 s SER 57 Cb -0.09 -0.44 1.29 0.00 0.21 0.00 0.00 66.02 66.99 1cd1 s SER 57 CO 0.01 -2.47 1.85 1.17 0.41 0.00 0.00 173.24 174.21 1cd1 n LYS 58 N -3.56 0.39 -0.57 12.44 3.00 -1.26 -0.24 118.16 128.35 1cd1 n LYS 58 Ca 0.14 0.04 0.07 0.00 -0.00 0.00 0.00 58.31 58.56 1cd1 n LYS 58 Cb 0.60 -1.50 0.30 0.00 0.00 0.00 0.00 35.03 34.43 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 -1.27 4.21 0.00 3.14 5.68 -1.26 -4.94 116.55 122.11 1cd1 n ASP 59 Ca 0.12 -2.49 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 1cd1 n ASP 59 Cb 0.20 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 1cd1 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1cd1 n TRP 60 N 0.73 0.00 -1.75 2.11 7.02 0.66 -4.96 117.44 121.26 1cd1 n TRP 60 Ca 0.21 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.37 1cd1 n TRP 60 Cb 0.83 -1.22 0.04 0.00 -2.42 0.00 0.00 31.31 28.55 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 -1.61 5.33 0.57 -0.99 1.04 -1.26 -4.72 113.70 112.06 1cd1 s SER 61 Ca 0.00 1.81 0.04 0.00 0.48 0.00 0.00 55.95 58.28 1cd1 s SER 61 Cb 0.00 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.65 1cd1 s SER 61 CO 0.00 -1.47 0.79 -0.36 0.98 0.00 0.00 173.24 173.17 1cd1 s PHE 62 N -2.63 2.32 0.08 5.02 0.40 -0.26 -1.67 117.98 121.24 1cd1 s PHE 62 Ca 0.63 -0.27 -0.26 0.00 -0.60 0.00 0.00 56.93 56.43 1cd1 s PHE 62 Cb -0.17 -2.65 0.07 0.00 0.51 0.00 0.00 43.02 40.78 1cd1 s PHE 62 CO 0.45 -1.02 0.62 1.52 0.70 0.00 0.00 175.22 177.49 1cd1 s TYR 63 N -2.75 -0.58 -0.06 0.36 -0.85 -0.97 -0.85 117.35 111.65 1cd1 s TYR 63 Ca 0.60 0.62 -0.29 0.00 -0.52 0.00 0.00 57.07 57.47 1cd1 s TYR 63 Cb -0.08 0.50 0.10 0.00 0.38 0.00 0.00 41.96 42.85 1cd1 s TYR 63 CO 0.39 -0.76 0.82 -1.50 -1.52 0.00 0.00 175.55 172.98 1cd1 s ILE 64 N -2.79 0.00 -0.30 -3.49 2.07 -0.72 -3.30 121.20 112.67 1cd1 s ILE 64 Ca -0.03 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1cd1 s ILE 64 Cb -0.01 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.68 1cd1 s ILE 64 CO -0.04 0.00 0.06 -0.22 -1.91 0.00 0.00 174.94 172.83 1cd1 s LEU 65 N -1.56 2.67 0.14 8.50 2.96 -1.26 -1.99 118.68 128.14 1cd1 s LEU 65 Ca -0.04 -1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 52.09 1cd1 s LEU 65 Cb -0.00 -1.03 -0.07 0.00 0.50 0.00 0.00 46.19 45.59 1cd1 s LEU 65 CO 0.01 -0.38 0.60 0.00 -1.32 0.00 0.00 176.35 175.27 1cd1 s ALA 66 N 1.47 3.54 0.12 5.97 0.00 -0.62 -1.83 121.76 130.41 1cd1 s ALA 66 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.78 1cd1 s ALA 66 Cb -0.18 -2.64 0.08 0.00 0.00 0.00 0.00 23.12 20.38 1cd1 s ALA 66 CO -0.18 0.40 0.73 -3.38 0.00 0.00 0.00 175.76 173.33 1cd1 s HIS 67 N -1.36 -0.42 0.36 0.00 -0.00 0.22 -0.36 115.29 113.73 1cd1 s HIS 67 Ca 0.36 0.20 -0.09 0.00 -0.00 0.00 0.00 55.06 55.54 1cd1 s HIS 67 Cb -0.17 0.57 0.03 0.00 -0.00 0.00 0.00 32.58 33.01 1cd1 s HIS 67 CO 0.20 -0.78 0.62 -0.08 -0.00 0.00 0.00 174.74 174.69 1cd1 s THR 68 N -3.53 0.00 -0.22 -5.38 -1.32 -0.05 0.18 115.64 105.33 1cd1 s THR 68 Ca 0.04 -1.33 -0.11 0.00 -1.21 0.00 0.00 61.69 59.08 1cd1 s THR 68 Cb -0.01 -2.73 -0.05 0.00 -1.51 0.00 0.00 72.50 68.19 1cd1 s THR 68 CO -0.09 0.00 0.18 -1.83 -2.21 0.00 0.00 174.62 170.67 1cd1 s GLU 69 N -2.74 4.14 0.06 7.08 1.03 -1.26 -0.60 118.70 126.41 1cd1 s GLU 69 Ca 0.24 -0.18 -0.02 0.00 0.03 0.00 0.00 54.97 55.04 1cd1 s GLU 69 Cb -0.03 -3.49 -0.03 0.00 -0.80 0.00 0.00 34.13 29.78 1cd1 s GLU 69 CO 0.16 0.15 0.01 -0.59 -1.33 0.00 0.00 175.26 173.66 1cd1 s PHE 70 N 0.79 0.49 -0.10 4.83 -0.71 -0.59 -4.86 117.98 117.83 1cd1 s PHE 70 Ca 0.09 -1.01 -0.00 0.00 -1.04 0.00 0.00 56.93 54.97 1cd1 s PHE 70 Cb -0.13 -0.35 0.02 0.00 -1.21 0.00 0.00 43.02 41.36 1cd1 s PHE 70 CO 0.03 -0.41 -0.07 -0.08 -1.34 0.00 0.00 175.22 173.35 1cd1 s THR 71 N -3.92 0.90 0.07 -4.49 -1.32 -1.26 -0.12 115.64 105.49 1cd1 s THR 71 Ca 0.08 -0.23 -0.31 0.00 -1.21 0.00 0.00 61.69 60.03 1cd1 s THR 71 Cb 0.08 -0.93 -0.08 0.00 -1.51 0.00 0.00 72.50 70.06 1cd1 s THR 71 CO -0.09 0.34 1.55 -2.16 -2.21 0.00 0.00 174.62 172.04 1cd1 s PRO 72 N 1.60 4.24 0.01 7.08 0.04 -1.26 -4.91 135.00 141.79 1cd1 s PRO 72 Ca 0.02 2.21 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1cd1 s PRO 72 Cb -0.13 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.89 1cd1 s PRO 72 CO -0.06 -0.65 -0.11 0.99 0.04 0.00 0.00 177.00 177.21 1cd1 s THR 73 N 2.25 0.89 0.56 1.26 2.01 -1.26 -0.44 115.64 120.90 1cd1 s THR 73 Ca 0.70 -0.62 0.36 0.00 0.31 0.00 0.00 61.69 62.44 1cd1 s THR 73 Cb -0.38 -0.77 0.39 0.00 0.01 0.00 0.00 72.50 71.75 1cd1 s THR 73 CO 0.30 0.15 2.26 1.05 -0.69 0.00 0.00 174.62 177.70 1cd1 h GLU 74 N 5.58 0.00 -0.26 4.92 9.09 -1.98 -2.39 114.58 129.54 1cd1 h GLU 74 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 1cd1 h GLU 74 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1cd1 h GLU 74 CO 0.48 0.02 0.00 0.25 0.05 0.00 0.00 179.01 179.81 1cd1 n THR 75 N -3.43 1.48 -5.01 -1.06 -2.24 -1.26 -5.03 114.28 97.73 1cd1 n THR 75 Ca -0.03 -1.36 -0.32 0.00 -2.27 0.00 0.00 64.05 60.07 1cd1 n THR 75 Cb 0.12 0.21 -0.17 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.42 3.18 -0.10 3.42 1.01 -0.90 -5.09 116.67 116.77 1cd1 s ASP 76 Ca 0.27 -0.55 -0.03 0.00 0.71 0.00 0.00 52.55 52.95 1cd1 s ASP 76 Cb 0.19 -1.44 -0.03 0.00 1.01 0.00 0.00 42.92 42.65 1cd1 s ASP 76 CO 0.11 0.13 0.04 0.42 0.21 0.00 0.00 175.17 176.08 1cd1 s THR 77 N 0.50 4.61 0.09 -1.27 -4.23 -1.26 -4.54 115.64 109.55 1cd1 s THR 77 Ca -0.14 -0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.30 1cd1 s THR 77 Cb -0.17 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 1cd1 s THR 77 CO 0.05 0.60 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.27 1cd1 s TYR 78 N -0.86 1.41 0.19 3.99 1.51 -1.26 0.84 117.35 123.17 1cd1 s TYR 78 Ca 0.13 -0.47 -0.16 0.00 -1.01 0.00 0.00 57.07 55.56 1cd1 s TYR 78 Cb -0.12 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1cd1 s TYR 78 CO 0.03 0.12 0.48 0.00 -1.11 0.00 0.00 175.55 175.07 1cd1 s ALA 79 N -1.48 -0.76 -0.20 3.71 0.00 0.19 -0.58 121.76 122.65 1cd1 s ALA 79 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1cd1 s ALA 79 Cb -0.09 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1cd1 s ALA 79 CO 0.03 -0.78 -0.15 0.00 0.00 0.00 0.00 175.76 174.86 1cd1 s ARG 81 N 1.31 3.95 -0.01 0.00 3.52 -0.32 -2.37 118.95 125.03 1cd1 s ARG 81 Ca 0.03 -0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.55 1cd1 s ARG 81 Cb -0.14 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1cd1 s ARG 81 CO -0.10 0.46 -0.18 0.08 -0.81 0.00 0.00 175.30 174.75 1cd1 s VAL 82 N -0.12 1.45 -0.12 7.11 1.01 0.65 -1.08 120.40 129.31 1cd1 s VAL 82 Ca 0.12 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1cd1 s VAL 82 Cb -0.12 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1cd1 s VAL 82 CO 0.01 0.40 -0.16 -0.75 0.00 0.00 0.00 175.10 174.60 1cd1 s LYS 83 N -0.45 2.39 -0.04 2.72 2.20 -0.72 -0.50 119.74 125.34 1cd1 s LYS 83 Ca 0.07 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1cd1 s LYS 83 Cb -0.07 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.23 1cd1 s LYS 83 CO -0.01 -0.08 0.14 -1.58 -0.36 0.00 0.00 175.35 173.47 1cd1 s HIS 84 N 1.02 -0.09 0.29 4.03 2.46 -1.26 -1.91 115.29 119.82 1cd1 s HIS 84 Ca -0.05 0.21 0.04 0.00 0.47 0.00 0.00 55.06 55.73 1cd1 s HIS 84 Cb -0.15 0.02 0.74 0.00 -0.13 0.00 0.00 32.58 33.06 1cd1 s HIS 84 CO -0.03 -0.15 1.67 -0.44 -2.47 0.00 0.00 174.74 173.33 1cd1 h ASP 85 N 5.37 0.20 0.00 9.88 5.19 -1.96 0.27 116.42 135.37 1cd1 h ASP 85 Ca -0.27 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1cd1 h ASP 85 Cb 1.20 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1cd1 h ASP 85 CO 0.41 -0.08 0.00 -0.24 -3.12 0.00 0.00 179.24 176.21 1cd1 n SER 86 N -5.12 0.61 -3.85 6.45 2.88 -1.26 -4.56 113.62 108.76 1cd1 n SER 86 Ca 0.22 -1.92 -0.29 0.00 -1.33 0.00 0.00 58.87 55.55 1cd1 n SER 86 Cb 0.69 -0.30 -0.16 0.00 -0.75 0.00 0.00 64.21 63.68 1cd1 n SER 86 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1cd1 s MET 87 N -1.37 1.22 0.42 -1.46 -1.94 0.94 -4.69 119.30 112.41 1cd1 s MET 87 Ca 0.00 -0.80 0.29 0.00 -1.71 0.00 0.00 55.69 53.47 1cd1 s MET 87 Cb 0.00 -2.39 1.45 0.00 2.01 0.00 0.00 34.83 35.90 1cd1 s MET 87 CO 0.00 -0.64 1.57 0.00 -0.01 0.00 0.00 175.02 175.94 1cd1 n ALA 88 N 4.81 1.26 -3.05 3.03 0.00 -1.26 -4.54 120.51 120.76 1cd1 n ALA 88 Ca -0.10 0.92 -0.12 0.00 0.00 0.00 0.00 53.44 54.14 1cd1 n ALA 88 Cb 0.45 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1cd1 n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1cd1 s GLU 89 N -5.34 0.92 0.04 0.00 -1.05 -1.26 -5.12 118.70 106.89 1cd1 s GLU 89 Ca -0.08 -0.51 -0.37 0.00 -0.15 0.00 0.00 54.97 53.86 1cd1 s GLU 89 Cb 0.32 0.41 -0.17 0.00 -0.44 0.00 0.00 34.13 34.25 1cd1 s GLU 89 CO 0.81 -0.32 1.37 -2.30 0.95 0.00 0.00 175.26 175.77 1cd1 n PRO 90 N 0.33 1.08 -3.62 -4.83 -0.02 -1.26 -4.92 135.00 121.76 1cd1 n PRO 90 Ca -0.18 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.32 1cd1 n PRO 90 Cb 0.61 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.83 4.08 -0.22 -0.52 2.20 0.34 -4.86 119.74 121.58 1cd1 s LYS 91 Ca 0.87 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1cd1 s LYS 91 Cb -0.99 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 31.81 1cd1 s LYS 91 CO 0.50 0.03 -0.13 0.99 -0.36 0.00 0.00 175.35 176.38 1cd1 s THR 92 N 1.14 2.42 -0.10 3.43 2.01 -1.26 -0.25 115.64 123.03 1cd1 s THR 92 Ca 0.09 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1cd1 s THR 92 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1cd1 s THR 92 CO 0.05 0.30 -0.02 0.68 -0.69 0.00 0.00 174.62 174.94 1cd1 s VAL 93 N 1.27 4.15 0.47 3.82 -7.23 -1.00 -5.00 120.40 116.88 1cd1 s VAL 93 Ca 0.00 -0.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.94 1cd1 s VAL 93 Cb -0.16 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 34.05 1cd1 s VAL 93 CO -0.08 0.58 0.64 -0.31 -0.31 0.00 0.00 175.10 175.62 1cd1 s TYR 94 N -0.56 2.74 -0.05 2.82 1.51 -1.26 -1.24 117.35 121.30 1cd1 s TYR 94 Ca 0.09 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1cd1 s TYR 94 Cb -0.12 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.20 1cd1 s TYR 94 CO 0.02 -0.60 0.17 -0.46 -1.11 0.00 0.00 175.55 173.57 1cd1 s TRP 95 N -2.49 3.57 -0.04 2.71 -0.00 0.25 -4.85 118.94 118.09 1cd1 s TRP 95 Ca 0.56 0.43 -0.02 0.00 -0.00 0.00 0.00 56.10 57.07 1cd1 s TRP 95 Cb -0.10 -1.87 -0.04 0.00 -0.00 0.00 0.00 33.47 31.46 1cd1 s TRP 95 CO 0.35 0.68 0.08 0.16 -0.00 0.00 0.00 176.95 178.22 1cd1 s ASP 96 N -1.59 5.75 0.00 5.86 -4.77 -1.26 -4.74 116.67 115.92 1cd1 s ASP 96 Ca 0.23 0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.69 1cd1 s ASP 96 Cb -0.12 -1.70 0.00 0.00 -1.09 0.00 0.00 42.92 40.01 1cd1 s ASP 96 CO 0.13 0.32 0.19 -1.14 0.70 0.00 0.00 175.17 175.36 1cd1 n ARG 97 N 1.50 0.14 0.01 2.11 0.63 -1.26 -2.57 116.66 117.22 1cd1 n ARG 97 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1cd1 n ARG 97 Cb 0.53 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 32.01 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 1.26 0.06 0.00 6.15 8.00 -1.26 -4.95 116.55 125.82 1cd1 n ASP 98 Ca 0.00 0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.66 1cd1 n ASP 98 Cb 0.07 0.01 0.69 0.00 -0.02 0.00 0.00 41.12 41.86 1cd1 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04