#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bd2 s GLN 2 N 0.00 3.74 -0.10 0.38 -0.21 -1.26 -4.74 119.66 117.47 1bd2 s GLN 2 Ca 0.00 1.95 0.01 0.00 0.02 0.00 0.00 55.36 57.34 1bd2 s GLN 2 Cb 0.00 -4.13 -0.02 0.00 1.00 0.00 0.00 33.01 29.86 1bd2 s GLN 2 CO 0.00 -1.38 -0.14 1.03 -2.12 0.00 0.00 175.29 172.68 1bd2 s ARG 3 N 4.96 3.05 0.41 2.91 0.52 -0.19 -4.93 118.95 125.69 1bd2 s ARG 3 Ca 0.81 -0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 55.12 1bd2 s ARG 3 Cb -0.30 -2.52 -0.10 0.00 0.52 0.00 0.00 34.95 32.54 1bd2 s ARG 3 CO 0.33 0.36 0.91 -0.08 0.02 0.00 0.00 175.30 176.84 1bd2 s THR 4 N -0.03 4.45 0.53 0.02 -1.32 -1.26 -0.95 115.64 117.08 1bd2 s THR 4 Ca -0.03 1.38 -0.22 0.00 -1.21 0.00 0.00 61.69 61.60 1bd2 s THR 4 Cb -0.14 -3.61 -0.06 0.00 -1.51 0.00 0.00 72.50 67.19 1bd2 s THR 4 CO 0.04 -0.31 1.37 -2.65 -2.21 0.00 0.00 174.62 170.85 1bd2 n PRO 5 N -0.64 1.79 -3.75 7.08 -0.02 -1.26 -4.29 135.00 133.92 1bd2 n PRO 5 Ca 0.06 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 1bd2 n PRO 5 Cb 0.54 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 1bd2 n PRO 5 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bd2 s LYS 6 N -2.79 2.13 0.06 -0.52 1.02 0.16 -4.87 119.74 114.93 1bd2 s LYS 6 Ca 0.70 -1.92 -0.23 0.00 0.02 0.00 0.00 55.97 54.54 1bd2 s LYS 6 Cb -0.42 -3.64 -0.06 0.00 -0.52 0.00 0.00 37.83 33.18 1bd2 s LYS 6 CO 0.51 -1.10 0.68 0.42 -0.92 0.00 0.00 175.35 174.94 1bd2 s ILE 7 N 0.98 4.71 -0.12 2.17 1.01 -1.26 -1.72 121.20 126.96 1bd2 s ILE 7 Ca 0.09 1.46 -0.04 0.00 0.00 0.00 0.00 60.65 62.17 1bd2 s ILE 7 Cb -0.23 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.27 1bd2 s ILE 7 CO -0.04 0.45 0.20 -1.10 0.00 0.00 0.00 174.94 174.45 1bd2 s GLN 8 N -0.51 0.10 -0.17 2.79 -0.21 0.30 -4.99 119.66 116.96 1bd2 s GLN 8 Ca 0.34 0.55 -0.06 0.00 0.02 0.00 0.00 55.36 56.21 1bd2 s GLN 8 Cb -0.20 -0.38 -0.04 0.00 1.00 0.00 0.00 33.01 33.39 1bd2 s GLN 8 CO 0.21 -0.37 0.04 0.08 -2.12 0.00 0.00 175.29 173.14 1bd2 s VAL 9 N 2.34 4.61 0.26 1.09 1.01 -1.26 -0.78 120.40 127.67 1bd2 s VAL 9 Ca 0.03 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 1bd2 s VAL 9 Cb -0.13 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1bd2 s VAL 9 CO -0.08 0.48 0.86 -0.72 0.00 0.00 0.00 175.10 175.64 1bd2 s TYR 10 N 0.29 -0.05 0.20 5.22 1.13 -0.41 -4.67 117.35 119.07 1bd2 s TYR 10 Ca 0.02 -0.42 0.08 0.00 -1.41 0.00 0.00 57.07 55.34 1bd2 s TYR 10 Cb -0.13 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 1bd2 s TYR 10 CO 0.01 -1.16 -0.01 -1.54 -2.51 0.00 0.00 175.55 170.33 1bd2 s SER 11 N -3.05 4.63 0.05 -0.18 1.04 -1.26 0.56 113.70 115.49 1bd2 s SER 11 Ca 0.14 -0.50 -0.23 0.00 0.48 0.00 0.00 55.95 55.85 1bd2 s SER 11 Cb -0.04 -0.92 -0.15 0.00 0.10 0.00 0.00 66.02 65.01 1bd2 s SER 11 CO 0.07 0.06 1.50 -0.09 0.98 0.00 0.00 173.24 175.76 1bd2 h ARG 12 N 2.46 0.12 -6.17 4.02 2.43 -1.68 -3.45 114.38 112.11 1bd2 h ARG 12 Ca -0.46 -0.03 -0.52 0.00 -0.81 0.00 0.00 59.98 58.15 1bd2 h ARG 12 Cb 1.22 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 1bd2 h ARG 12 CO 0.58 0.35 -0.53 -1.01 -1.51 0.00 0.00 179.97 177.85 1bd2 s HIS 13 N -5.13 2.88 0.11 2.20 3.76 -1.26 -5.05 115.29 112.80 1bd2 s HIS 13 Ca -0.14 -0.25 -0.33 0.00 -0.15 0.00 0.00 55.06 54.19 1bd2 s HIS 13 Cb 0.05 -1.52 -0.12 0.00 1.11 0.00 0.00 32.58 32.09 1bd2 s HIS 13 CO 0.69 0.41 1.75 -2.30 -0.85 0.00 0.00 174.74 174.43 1bd2 n PRO 14 N -1.17 2.49 -1.54 8.40 -0.02 -1.26 -4.81 135.00 137.09 1bd2 n PRO 14 Ca -0.05 0.90 -0.37 0.00 -2.02 0.00 0.00 63.50 61.96 1bd2 n PRO 14 Cb 0.59 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 1bd2 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bd2 n ALA 15 N 4.86 0.66 -3.58 3.55 0.00 -1.26 -4.92 120.51 119.82 1bd2 n ALA 15 Ca 0.18 -0.78 -0.36 0.00 0.00 0.00 0.00 53.44 52.48 1bd2 n ALA 15 Cb 0.33 -2.98 -0.12 0.00 0.00 0.00 0.00 19.45 16.67 1bd2 n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bd2 s GLU 16 N 8.46 2.34 0.13 0.00 2.02 -1.26 -5.08 118.70 125.32 1bd2 s GLU 16 Ca 1.07 -1.44 -0.33 0.00 0.02 0.00 0.00 54.97 54.30 1bd2 s GLU 16 Cb -0.44 -3.41 -0.18 0.00 0.10 0.00 0.00 34.13 30.20 1bd2 s GLU 16 CO 0.32 -0.80 0.86 0.09 0.02 0.00 0.00 175.26 175.75 1bd2 n ASN 17 N 4.67 -0.16 0.00 -0.19 4.13 -1.26 -0.85 115.26 121.60 1bd2 n ASN 17 Ca -0.09 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.31 1bd2 n ASN 17 Cb 0.43 -1.01 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1bd2 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bd2 n GLY 18 N 1.80 2.45 3.56 7.41 0.00 -0.49 -4.98 105.19 114.95 1bd2 n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1bd2 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bd2 s LYS 19 N -0.01 3.53 0.21 1.61 0.00 -0.03 -4.97 119.74 120.09 1bd2 s LYS 19 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 55.97 55.18 1bd2 s LYS 19 Cb 0.00 -2.92 -0.13 0.00 0.00 0.00 0.00 37.83 34.78 1bd2 s LYS 19 CO 0.00 0.37 1.60 0.43 0.00 0.00 0.00 175.35 177.75 1bd2 n SER 20 N 3.17 3.48 -1.10 0.03 7.64 -1.26 -4.04 113.62 121.54 1bd2 n SER 20 Ca -0.17 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.80 1bd2 n SER 20 Cb 0.53 -1.51 -0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1bd2 n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bd2 n ASN 21 N 3.15 -0.09 -4.09 6.43 5.15 0.22 -4.99 115.26 121.04 1bd2 n ASN 21 Ca 0.14 -1.09 -0.23 0.00 -0.60 0.00 0.00 54.58 52.80 1bd2 n ASN 21 Cb 0.33 0.16 -0.15 0.00 -0.53 0.00 0.00 39.78 39.58 1bd2 n ASN 21 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1bd2 s PHE 22 N -6.31 1.29 -0.28 1.20 0.40 -1.26 -0.56 117.98 112.46 1bd2 s PHE 22 Ca 0.01 -0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 1bd2 s PHE 22 Cb -0.00 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.65 1bd2 s PHE 22 CO 0.01 -0.07 0.48 -1.17 0.70 0.00 0.00 175.22 175.17 1bd2 s LEU 23 N -0.12 4.10 -0.05 -0.37 2.96 0.10 -1.58 118.68 123.71 1bd2 s LEU 23 Ca 0.01 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1bd2 s LEU 23 Cb -0.07 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 1bd2 s LEU 23 CO 0.00 -0.29 -0.03 0.20 -1.32 0.00 0.00 176.35 174.91 1bd2 s ASN 24 N 1.61 4.94 -0.05 3.68 0.01 0.19 -2.24 114.94 123.08 1bd2 s ASN 24 Ca 0.19 0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.38 1bd2 s ASN 24 Cb -0.16 -1.29 0.01 0.00 0.41 0.00 0.00 41.25 40.22 1bd2 s ASN 24 CO 0.10 0.34 -0.10 0.00 -1.51 0.00 0.00 177.10 175.93 1bd2 s TYR 26 N 0.55 0.98 -0.02 0.00 5.04 0.04 -1.16 117.35 122.80 1bd2 s TYR 26 Ca -0.10 -0.33 0.06 0.00 -2.44 0.00 0.00 57.07 54.26 1bd2 s TYR 26 Cb -0.13 -0.83 -0.02 0.00 0.35 0.00 0.00 41.96 41.33 1bd2 s TYR 26 CO 0.02 -0.26 -0.21 0.14 -1.34 0.00 0.00 175.55 173.91 1bd2 s VAL 27 N 1.03 1.64 0.36 3.14 -7.23 -0.98 -0.54 120.40 117.81 1bd2 s VAL 27 Ca -0.09 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 1bd2 s VAL 27 Cb -0.14 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.46 1bd2 s VAL 27 CO -0.00 0.46 0.61 -0.94 -0.31 0.00 0.00 175.10 174.92 1bd2 s SER 28 N -0.47 0.51 -1.81 4.85 1.04 -0.70 -2.04 113.70 115.08 1bd2 s SER 28 Ca 0.08 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1bd2 s SER 28 Cb -0.08 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1bd2 s SER 28 CO -0.01 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.37 1bd2 n GLY 29 N -0.55 0.53 3.90 7.32 0.00 -0.77 -0.66 105.19 114.97 1bd2 n GLY 29 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1bd2 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bd2 s PHE 30 N -2.80 3.06 -0.29 1.61 -0.71 -1.21 -4.37 117.98 113.27 1bd2 s PHE 30 Ca 0.00 -0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 55.52 1bd2 s PHE 30 Cb 0.00 -1.76 0.16 0.00 -1.21 0.00 0.00 43.02 40.21 1bd2 s PHE 30 CO 0.00 0.22 1.02 -1.58 -1.34 0.00 0.00 175.22 173.54 1bd2 s HIS 31 N -2.20 -0.50 1.16 3.49 2.46 -0.12 -1.48 115.29 118.09 1bd2 s HIS 31 Ca 0.40 0.98 -0.18 0.00 0.47 0.00 0.00 55.06 56.73 1bd2 s HIS 31 Cb -0.08 0.30 0.27 0.00 -0.13 0.00 0.00 32.58 32.94 1bd2 s HIS 31 CO 0.28 -0.25 1.12 -1.25 -2.47 0.00 0.00 174.74 172.17 1bd2 s PRO 32 N 1.35 -0.90 0.43 2.88 0.04 -1.26 -1.02 135.00 136.52 1bd2 s PRO 32 Ca -0.09 0.00 0.23 0.00 0.04 0.00 0.00 61.00 61.19 1bd2 s PRO 32 Cb -0.03 -1.63 0.89 0.00 0.04 0.00 0.00 34.50 33.77 1bd2 s PRO 32 CO -0.14 -3.51 1.82 0.66 0.04 0.00 0.00 177.00 175.86 1bd2 h SER 33 N -2.44 0.00 -2.10 6.66 4.64 -1.99 -3.44 113.55 114.88 1bd2 h SER 33 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 1bd2 h SER 33 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bd2 h SER 33 CO 0.38 0.25 1.43 -1.81 -0.87 0.00 0.00 176.83 176.21 1bd2 s ASP 34 N -6.24 5.68 -0.11 4.97 1.11 -1.26 -4.94 116.67 115.89 1bd2 s ASP 34 Ca 0.00 2.04 -0.09 0.00 0.18 0.00 0.00 52.55 54.69 1bd2 s ASP 34 Cb 0.10 -2.52 0.04 0.00 1.07 0.00 0.00 42.92 41.61 1bd2 s ASP 34 CO 0.64 -1.76 0.29 -0.51 1.18 0.00 0.00 175.17 175.01 1bd2 s ILE 35 N 7.44 -0.01 -0.19 0.77 2.07 -1.26 -4.65 121.20 125.36 1bd2 s ILE 35 Ca 0.97 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 60.20 1bd2 s ILE 35 Cb -0.35 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 1bd2 s ILE 35 CO 0.36 0.02 0.02 -0.70 -1.91 0.00 0.00 174.94 172.73 1bd2 s GLU 36 N 0.58 3.75 -0.11 3.50 2.12 -0.64 -4.98 118.70 122.92 1bd2 s GLU 36 Ca -0.04 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 1bd2 s GLU 36 Cb -0.05 -3.11 0.04 0.00 0.26 0.00 0.00 34.13 31.27 1bd2 s GLU 36 CO -0.03 0.13 0.01 0.08 -0.54 0.00 0.00 175.26 174.91 1bd2 s VAL 37 N 0.71 0.42 -0.03 3.70 1.01 -1.26 -0.19 120.40 124.76 1bd2 s VAL 37 Ca 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1bd2 s VAL 37 Cb -0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1bd2 s VAL 37 CO 0.02 0.12 -0.22 -1.81 0.00 0.00 0.00 175.10 173.21 1bd2 s ASP 38 N 1.94 3.40 -0.14 3.32 1.01 0.13 -4.96 116.67 121.36 1bd2 s ASP 38 Ca 0.03 -0.38 -0.12 0.00 0.71 0.00 0.00 52.55 52.79 1bd2 s ASP 38 Cb -0.14 -0.57 -0.05 0.00 1.01 0.00 0.00 42.92 43.18 1bd2 s ASP 38 CO -0.06 0.32 0.26 -0.76 0.21 0.00 0.00 175.17 175.14 1bd2 s LEU 39 N -0.61 4.29 0.15 1.23 1.43 -1.26 0.74 118.68 124.65 1bd2 s LEU 39 Ca 0.09 0.51 0.10 0.00 -1.03 0.00 0.00 54.13 53.81 1bd2 s LEU 39 Cb -0.11 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1bd2 s LEU 39 CO -0.00 0.18 -0.20 -0.76 0.23 0.00 0.00 176.35 175.80 1bd2 s LEU 40 N 0.06 2.60 -0.31 1.79 1.43 0.59 -1.02 118.68 123.83 1bd2 s LEU 40 Ca 0.16 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1bd2 s LEU 40 Cb -0.13 -1.41 0.09 0.00 0.03 0.00 0.00 46.19 44.77 1bd2 s LEU 40 CO 0.04 0.15 0.06 -0.75 0.23 0.00 0.00 176.35 176.09 1bd2 s LYS 41 N -2.35 1.10 -1.34 1.70 2.20 0.79 -0.33 119.74 121.52 1bd2 s LYS 41 Ca 0.19 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1bd2 s LYS 41 Cb -0.10 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1bd2 s LYS 41 CO 0.10 -0.91 0.00 0.09 -0.36 0.00 0.00 175.35 174.26 1bd2 n ASN 42 N 4.61 -4.47 0.00 1.43 3.02 0.78 -1.99 115.26 118.65 1bd2 n ASN 42 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1bd2 n ASN 42 Cb 0.42 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 1bd2 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bd2 n GLY 43 N -1.21 2.77 3.72 7.41 0.00 -1.26 -5.05 105.19 111.56 1bd2 n GLY 43 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1bd2 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bd2 s GLU 44 N -0.20 4.60 0.21 1.61 2.12 -0.84 -4.99 118.70 121.21 1bd2 s GLU 44 Ca 0.00 1.54 -0.30 0.00 0.36 0.00 0.00 54.97 56.57 1bd2 s GLU 44 Cb 0.00 -3.38 -0.09 0.00 0.26 0.00 0.00 34.13 30.92 1bd2 s GLU 44 CO 0.00 0.04 1.40 0.50 -0.54 0.00 0.00 175.26 176.66 1bd2 s ARG 45 N 0.39 4.31 -0.01 4.30 3.52 -1.26 -0.15 118.95 130.05 1bd2 s ARG 45 Ca 0.51 2.21 -0.30 0.00 -0.13 0.00 0.00 55.73 58.01 1bd2 s ARG 45 Cb -0.25 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1bd2 s ARG 45 CO 0.30 -0.38 0.97 0.42 -0.81 0.00 0.00 175.30 175.80 1bd2 s ILE 46 N 0.24 4.87 0.00 4.11 1.01 -0.19 -4.84 121.20 126.39 1bd2 s ILE 46 Ca 0.60 2.04 0.00 0.00 0.00 0.00 0.00 60.65 63.29 1bd2 s ILE 46 Cb -0.40 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.76 1bd2 s ILE 46 CO 0.39 0.16 0.72 -1.84 0.00 0.00 0.00 174.94 174.36 1bd2 n GLU 47 N 3.95 0.00 -2.46 2.79 0.28 -1.26 -4.38 120.64 119.55 1bd2 n GLU 47 Ca 0.06 0.24 -0.43 0.00 -0.16 0.00 0.00 57.16 56.87 1bd2 n GLU 47 Cb 0.51 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 32.16 1bd2 n GLU 47 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1bd2 n LYS 48 N -1.19 3.23 -3.63 3.44 5.02 -1.26 -4.97 118.16 118.80 1bd2 n LYS 48 Ca 0.00 -3.32 -0.37 0.00 -2.02 0.00 0.00 58.31 52.60 1bd2 n LYS 48 Cb 0.00 -3.26 -0.10 0.00 -0.02 0.00 0.00 35.03 31.66 1bd2 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bd2 s VAL 49 N 2.79 5.34 0.66 -0.18 1.01 -1.26 -4.82 120.40 123.94 1bd2 s VAL 49 Ca 0.48 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.70 1bd2 s VAL 49 Cb 0.05 -3.52 0.11 0.00 0.00 0.00 0.00 36.38 33.02 1bd2 s VAL 49 CO 0.01 0.32 0.92 -1.61 0.00 0.00 0.00 175.10 174.74 1bd2 s GLU 50 N 1.21 1.93 0.15 2.72 2.02 -0.13 -4.91 118.70 121.69 1bd2 s GLU 50 Ca 0.08 -1.23 -0.24 0.00 0.02 0.00 0.00 54.97 53.61 1bd2 s GLU 50 Cb -0.14 -2.43 0.07 0.00 0.10 0.00 0.00 34.13 31.73 1bd2 s GLU 50 CO 0.06 -1.22 0.66 -3.38 0.02 0.00 0.00 175.26 171.40 1bd2 s HIS 51 N -2.97 -0.47 0.87 1.61 -3.43 -1.26 -1.81 115.29 107.82 1bd2 s HIS 51 Ca 0.64 0.24 -0.13 0.00 -0.80 0.00 0.00 55.06 55.02 1bd2 s HIS 51 Cb -0.06 0.57 0.12 0.00 -1.43 0.00 0.00 32.58 31.78 1bd2 s HIS 51 CO 0.42 -0.85 1.19 -1.54 -2.00 0.00 0.00 174.74 171.96 1bd2 s SER 52 N -2.74 3.97 -0.16 7.38 1.04 0.60 -4.95 113.70 118.84 1bd2 s SER 52 Ca 0.03 0.76 -0.21 0.00 0.48 0.00 0.00 55.95 57.00 1bd2 s SER 52 Cb -0.02 -1.21 -0.03 0.00 0.10 0.00 0.00 66.02 64.87 1bd2 s SER 52 CO -0.10 -2.24 0.64 -1.81 0.98 0.00 0.00 173.24 170.71 1bd2 s ASP 53 N -4.46 6.76 0.07 7.02 1.01 -1.26 -4.73 116.67 121.08 1bd2 s ASP 53 Ca 0.64 0.93 -0.37 0.00 0.71 0.00 0.00 52.55 54.46 1bd2 s ASP 53 Cb -0.11 -2.36 -0.18 0.00 1.01 0.00 0.00 42.92 41.28 1bd2 s ASP 53 CO 0.51 -0.22 1.17 -0.11 0.21 0.00 0.00 175.17 176.72 1bd2 n LEU 54 N 4.67 0.83 0.00 1.23 7.94 -1.26 -4.97 117.00 125.44 1bd2 n LEU 54 Ca -0.01 1.14 -0.07 0.00 -1.11 0.00 0.00 56.01 55.95 1bd2 n LEU 54 Cb 0.50 -1.08 -0.02 0.00 0.53 0.00 0.00 43.42 43.36 1bd2 n LEU 54 CO 0.45 -1.52 0.07 -0.24 -1.11 0.00 0.00 177.39 175.04 1bd2 n SER 55 N 2.02 -0.63 -3.69 1.96 2.88 -1.25 -5.05 113.62 109.86 1bd2 n SER 55 Ca 0.18 -1.92 -0.10 0.00 -1.33 0.00 0.00 58.87 55.71 1bd2 n SER 55 Cb 0.16 1.19 -0.05 0.00 -0.75 0.00 0.00 64.21 64.76 1bd2 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1bd2 s PHE 56 N -3.91 -0.11 0.62 0.66 -0.12 -1.26 -2.41 117.98 111.46 1bd2 s PHE 56 Ca 0.14 -0.24 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1bd2 s PHE 56 Cb -0.00 0.18 0.07 0.00 -0.63 0.00 0.00 43.02 42.64 1bd2 s PHE 56 CO 0.10 -0.67 0.87 -1.12 -0.05 0.00 0.00 175.22 174.35 1bd2 s SER 57 N -2.82 4.90 0.58 1.98 0.01 -0.13 -4.94 113.70 113.27 1bd2 s SER 57 Ca 0.04 -0.15 0.31 0.00 1.31 0.00 0.00 55.95 57.45 1bd2 s SER 57 Cb 0.03 -0.52 1.39 0.00 0.21 0.00 0.00 66.02 67.13 1bd2 s SER 57 CO -0.11 -1.44 1.74 0.07 0.41 0.00 0.00 173.24 173.91 1bd2 h LYS 58 N -0.18 0.00 -0.63 12.44 5.09 -2.03 0.32 116.57 131.58 1bd2 h LYS 58 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.34 1bd2 h LYS 58 Cb 1.29 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.62 1bd2 h LYS 58 CO 0.48 0.00 0.00 -0.40 -2.09 0.00 0.00 179.45 177.44 1bd2 n ASP 59 N -3.76 4.03 0.00 7.07 5.75 -1.26 -4.93 116.55 123.46 1bd2 n ASP 59 Ca 0.17 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1bd2 n ASP 59 Cb 1.04 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1bd2 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bd2 n TRP 60 N 0.88 0.00 -1.98 2.11 7.02 0.11 -5.02 117.44 120.57 1bd2 n TRP 60 Ca 0.21 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.38 1bd2 n TRP 60 Cb 0.76 -0.53 0.01 0.00 -2.42 0.00 0.00 31.31 29.13 1bd2 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1bd2 s SER 61 N -2.42 6.04 0.23 -0.99 1.04 -1.25 -4.75 113.70 111.60 1bd2 s SER 61 Ca 0.00 1.59 0.03 0.00 0.48 0.00 0.00 55.95 58.05 1bd2 s SER 61 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 1bd2 s SER 61 CO 0.00 -1.00 0.38 -0.36 0.98 0.00 0.00 173.24 173.25 1bd2 s PHE 62 N -2.84 3.47 -0.12 5.02 0.08 -0.55 -0.96 117.98 122.08 1bd2 s PHE 62 Ca 0.59 0.14 -0.10 0.00 0.12 0.00 0.00 56.93 57.68 1bd2 s PHE 62 Cb -0.13 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1bd2 s PHE 62 CO 0.44 0.39 0.31 1.52 -0.10 0.00 0.00 175.22 177.78 1bd2 s TYR 63 N -1.97 -0.37 0.04 0.36 -0.85 -1.01 -1.84 117.35 111.70 1bd2 s TYR 63 Ca 0.36 0.88 0.02 0.00 -0.52 0.00 0.00 57.07 57.82 1bd2 s TYR 63 Cb -0.10 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 1bd2 s TYR 63 CO 0.30 -0.20 -0.08 -0.51 -1.52 0.00 0.00 175.55 173.55 1bd2 s LEU 64 N 0.48 2.24 -0.17 -3.49 1.43 -0.86 -3.76 118.68 114.55 1bd2 s LEU 64 Ca -0.03 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1bd2 s LEU 64 Cb -0.04 -0.18 0.04 0.00 0.03 0.00 0.00 46.19 46.04 1bd2 s LEU 64 CO -0.03 -0.19 -0.09 -0.22 0.23 0.00 0.00 176.35 176.06 1bd2 s LEU 65 N -1.49 1.88 -0.22 1.79 2.96 -1.26 -2.33 118.68 120.01 1bd2 s LEU 65 Ca -0.09 -0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 53.01 1bd2 s LEU 65 Cb -0.09 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 1bd2 s LEU 65 CO 0.00 -0.14 0.14 -0.31 -1.32 0.00 0.00 176.35 174.72 1bd2 s TYR 66 N 1.52 3.36 0.08 5.38 1.51 -0.31 -0.29 117.35 128.60 1bd2 s TYR 66 Ca 0.01 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.35 1bd2 s TYR 66 Cb -0.15 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1bd2 s TYR 66 CO -0.08 0.19 -0.06 1.52 -1.11 0.00 0.00 175.55 176.00 1bd2 s TYR 67 N 0.67 0.75 -0.18 2.71 1.13 -0.75 -0.77 117.35 120.91 1bd2 s TYR 67 Ca 0.08 -0.87 -0.27 0.00 -1.41 0.00 0.00 57.07 54.59 1bd2 s TYR 67 Cb -0.12 -0.46 0.07 0.00 -1.10 0.00 0.00 41.96 40.35 1bd2 s TYR 67 CO 0.01 -0.19 0.70 -0.08 -2.51 0.00 0.00 175.55 173.48 1bd2 s THR 68 N -3.26 0.00 0.66 -3.49 -1.32 -0.95 -0.95 115.64 106.33 1bd2 s THR 68 Ca 0.06 -0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.39 1bd2 s THR 68 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1bd2 s THR 68 CO -0.05 -0.00 1.14 -1.61 -2.21 0.00 0.00 174.62 171.89 1bd2 s GLU 69 N -0.26 2.71 -0.26 7.08 2.02 -1.26 0.00 118.70 128.72 1bd2 s GLU 69 Ca -0.05 1.51 -0.27 0.00 0.02 0.00 0.00 54.97 56.18 1bd2 s GLU 69 Cb -0.03 -1.93 0.16 0.00 0.10 0.00 0.00 34.13 32.44 1bd2 s GLU 69 CO 0.05 -1.34 1.25 -0.59 0.02 0.00 0.00 175.26 174.64 1bd2 s PHE 70 N -2.18 -0.19 -0.40 1.61 -0.71 0.28 -4.72 117.98 111.66 1bd2 s PHE 70 Ca 0.69 0.41 -0.09 0.00 -1.04 0.00 0.00 56.93 56.90 1bd2 s PHE 70 Cb -0.23 0.46 0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1bd2 s PHE 70 CO 0.41 -0.14 0.23 0.99 -1.34 0.00 0.00 175.22 175.37 1bd2 s THR 71 N -0.51 4.29 0.62 -4.49 2.01 -1.26 -0.61 115.64 115.69 1bd2 s THR 71 Ca 0.05 -1.19 -0.19 0.00 0.31 0.00 0.00 61.69 60.67 1bd2 s THR 71 Cb -0.03 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1bd2 s THR 71 CO -0.08 -0.38 1.31 -2.84 -0.69 0.00 0.00 174.62 171.94 1bd2 s PRO 72 N 1.47 2.73 0.02 4.92 0.02 -1.26 -4.78 135.00 138.12 1bd2 s PRO 72 Ca 0.02 2.11 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 1bd2 s PRO 72 Cb -0.21 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.33 1bd2 s PRO 72 CO 0.04 -1.47 0.06 0.99 -0.33 0.00 0.00 177.00 176.28 1bd2 s THR 73 N -1.37 0.11 0.44 0.99 2.01 -1.26 -1.40 115.64 115.16 1bd2 s THR 73 Ca 0.79 -0.93 0.12 0.00 0.31 0.00 0.00 61.69 61.98 1bd2 s THR 73 Cb -0.38 -0.54 0.22 0.00 0.01 0.00 0.00 72.50 71.81 1bd2 s THR 73 CO 0.42 -0.51 2.03 -0.33 -0.69 0.00 0.00 174.62 175.53 1bd2 h GLU 74 N 4.20 0.20 0.00 4.92 3.07 -1.98 -3.18 114.58 121.82 1bd2 h GLU 74 Ca -0.32 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1bd2 h GLU 74 Cb 1.19 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1bd2 h GLU 74 CO 0.44 0.23 -1.28 0.36 -1.40 0.00 0.00 179.01 177.37 1bd2 n LYS 75 N -4.41 0.55 -3.23 2.33 2.85 -1.26 -4.94 118.16 110.05 1bd2 n LYS 75 Ca -0.01 0.01 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1bd2 n LYS 75 Cb 0.16 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.80 1bd2 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bd2 s ASP 76 N -4.81 6.79 -0.24 -5.58 1.01 -1.20 -5.06 116.67 107.57 1bd2 s ASP 76 Ca -0.02 0.95 -0.10 0.00 0.71 0.00 0.00 52.55 54.09 1bd2 s ASP 76 Cb 0.12 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 1bd2 s ASP 76 CO 0.82 -0.03 0.16 -1.61 0.21 0.00 0.00 175.17 174.72 1bd2 s GLU 77 N 0.63 4.05 0.07 8.23 2.02 -1.26 -4.62 118.70 127.83 1bd2 s GLU 77 Ca 0.30 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.06 1bd2 s GLU 77 Cb -0.16 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1bd2 s GLU 77 CO 0.13 0.04 -0.04 0.71 0.02 0.00 0.00 175.26 176.13 1bd2 s TYR 78 N 1.10 2.92 0.33 1.61 2.02 -1.26 -0.15 117.35 123.92 1bd2 s TYR 78 Ca 0.07 -0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1bd2 s TYR 78 Cb -0.14 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1bd2 s TYR 78 CO 0.05 0.45 0.41 0.00 -1.57 0.00 0.00 175.55 174.88 1bd2 s ALA 79 N -1.21 1.04 -0.15 3.71 0.00 0.56 -1.18 121.76 124.52 1bd2 s ALA 79 Ca 0.23 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 1bd2 s ALA 79 Cb -0.11 1.25 0.06 0.00 0.00 0.00 0.00 23.12 24.31 1bd2 s ALA 79 CO 0.15 -0.75 0.09 0.00 0.00 0.00 0.00 175.76 175.24 1bd2 s ARG 81 N 2.15 4.09 0.02 0.00 3.52 0.23 -1.59 118.95 127.37 1bd2 s ARG 81 Ca 0.03 0.15 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 1bd2 s ARG 81 Cb -0.15 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.61 1bd2 s ARG 81 CO -0.08 -0.18 -0.25 0.08 -0.81 0.00 0.00 175.30 174.06 1bd2 s VAL 82 N 1.77 2.02 0.01 7.11 1.01 0.10 0.17 120.40 132.59 1bd2 s VAL 82 Ca 0.18 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1bd2 s VAL 82 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1bd2 s VAL 82 CO 0.09 0.43 -0.05 0.21 0.00 0.00 0.00 175.10 175.79 1bd2 s ASN 83 N -0.94 0.53 0.01 3.32 2.47 0.74 -0.16 114.94 120.90 1bd2 s ASN 83 Ca 0.10 -0.21 -0.28 0.00 0.42 0.00 0.00 52.86 52.89 1bd2 s ASN 83 Cb -0.10 -0.02 0.09 0.00 -1.45 0.00 0.00 41.25 39.77 1bd2 s ASN 83 CO 0.01 -0.04 0.75 -2.28 -3.72 0.00 0.00 177.10 171.82 1bd2 s HIS 84 N -0.49 -0.51 0.60 0.43 5.65 -1.26 -1.62 115.29 118.07 1bd2 s HIS 84 Ca -0.02 0.61 0.37 0.00 0.25 0.00 0.00 55.06 56.27 1bd2 s HIS 84 Cb -0.04 0.49 2.01 0.00 -1.18 0.00 0.00 32.58 33.86 1bd2 s HIS 84 CO -0.00 -0.63 2.13 -0.39 -0.65 0.00 0.00 174.74 175.20 1bd2 h VAL 85 N 2.41 0.00 0.00 0.89 -1.51 -1.95 0.10 116.25 116.19 1bd2 h VAL 85 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1bd2 h VAL 85 Cb 1.22 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1bd2 h VAL 85 CO 0.36 0.00 -0.01 0.71 -1.23 0.00 0.00 177.57 177.40 1bd2 h THR 86 N 0.00 0.00 -3.70 7.19 1.35 -1.94 -3.44 112.91 112.37 1bd2 h THR 86 Ca 0.00 -0.87 -0.62 0.00 -0.55 0.00 0.00 66.41 64.36 1bd2 h THR 86 Cb 0.27 1.87 -0.15 0.00 -1.73 0.00 0.00 68.15 68.41 1bd2 h THR 86 CO 0.00 0.00 -0.32 -0.76 -0.25 0.00 0.00 175.52 174.19 1bd2 s LEU 87 N -5.80 4.06 0.30 3.87 1.43 0.36 -4.94 118.68 117.96 1bd2 s LEU 87 Ca 0.08 0.25 0.25 0.00 -1.03 0.00 0.00 54.13 53.67 1bd2 s LEU 87 Cb 0.07 -2.34 1.06 0.00 0.03 0.00 0.00 46.19 45.01 1bd2 s LEU 87 CO 0.65 -0.11 1.75 0.77 0.23 0.00 0.00 176.35 179.64 1bd2 h SER 88 N 8.00 0.00 -5.02 2.29 4.64 -1.85 -3.44 113.55 118.17 1bd2 h SER 88 Ca -0.34 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 1bd2 h SER 88 Cb 1.17 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 1bd2 h SER 88 CO 0.64 0.00 0.07 0.00 -0.87 0.00 0.00 176.83 176.67 1bd2 s GLN 89 N -3.39 1.08 0.12 4.77 -2.07 -1.26 -5.14 119.66 113.76 1bd2 s GLN 89 Ca 0.03 -0.26 -0.31 0.00 -1.82 0.00 0.00 55.36 53.00 1bd2 s GLN 89 Cb 0.09 0.49 -0.10 0.00 -1.09 0.00 0.00 33.01 32.40 1bd2 s GLN 89 CO 0.39 -0.40 1.75 -2.14 -1.32 0.00 0.00 175.29 173.58 1bd2 s PRO 90 N -2.64 4.16 -0.14 9.60 0.02 -1.26 -4.91 135.00 139.83 1bd2 s PRO 90 Ca -0.04 2.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.19 1bd2 s PRO 90 Cb -0.00 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.98 1bd2 s PRO 90 CO -0.03 -0.79 1.06 0.21 -0.33 0.00 0.00 177.00 177.12 1bd2 s LYS 91 N 2.48 4.35 -0.18 5.54 2.47 0.77 -4.85 119.74 130.31 1bd2 s LYS 91 Ca 0.78 1.44 -0.06 0.00 -1.56 0.00 0.00 55.97 56.57 1bd2 s LYS 91 Cb -0.44 -3.59 -0.03 0.00 -1.46 0.00 0.00 37.83 32.30 1bd2 s LYS 91 CO 0.34 -0.46 0.02 0.42 0.16 0.00 0.00 175.35 175.83 1bd2 s ILE 92 N 2.54 4.29 -0.14 5.43 -1.09 -1.26 -0.72 121.20 130.24 1bd2 s ILE 92 Ca 0.48 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1bd2 s ILE 92 Cb -0.18 -2.92 0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1bd2 s ILE 92 CO 0.14 0.45 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.48 1bd2 s VAL 93 N 0.61 1.52 0.40 2.92 1.01 -0.62 -4.98 120.40 121.25 1bd2 s VAL 93 Ca 0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1bd2 s VAL 93 Cb -0.14 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.72 1bd2 s VAL 93 CO 0.02 0.45 0.83 -0.54 0.00 0.00 0.00 175.10 175.86 1bd2 s LYS 94 N 1.49 4.00 -0.13 2.72 1.02 -1.26 -0.84 119.74 126.74 1bd2 s LYS 94 Ca 0.05 0.78 -0.24 0.00 0.02 0.00 0.00 55.97 56.58 1bd2 s LYS 94 Cb -0.13 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1bd2 s LYS 94 CO -0.10 0.00 0.74 -0.46 -0.92 0.00 0.00 175.35 174.61 1bd2 s TRP 95 N -2.22 3.47 -0.20 3.18 -0.00 -0.33 -4.87 118.94 117.98 1bd2 s TRP 95 Ca 0.56 1.19 0.01 0.00 -0.00 0.00 0.00 56.10 57.86 1bd2 s TRP 95 Cb -0.10 -2.89 0.03 0.00 -0.00 0.00 0.00 33.47 30.51 1bd2 s TRP 95 CO 0.22 -0.10 -0.16 0.34 -0.00 0.00 0.00 176.95 177.25 1bd2 s ASP 96 N 1.03 3.44 0.00 5.86 2.15 -1.26 -4.78 116.67 123.10 1bd2 s ASP 96 Ca 0.36 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.49 1bd2 s ASP 96 Cb -0.17 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 1bd2 s ASP 96 CO 0.14 -0.07 0.54 -2.11 -0.17 0.00 0.00 175.17 173.50 1bd2 n ARG 97 N 4.60 0.00 -0.23 4.34 1.85 -1.26 -1.16 116.66 124.80 1bd2 n ARG 97 Ca -0.18 0.05 0.08 0.00 -1.00 0.00 0.00 57.85 56.80 1bd2 n ARG 97 Cb 0.48 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.59 1bd2 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1bd2 n ASP 98 N -1.04 3.22 0.00 2.89 8.00 -1.26 -4.81 116.55 123.56 1bd2 n ASP 98 Ca 0.00 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1bd2 n ASP 98 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1bd2 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04