#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dj3 s VAL 13 N 0.00 2.00 0.05 2.52 1.01 -1.26 -0.67 120.40 124.05 3dj3 s VAL 13 Ca 0.00 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.81 3dj3 s VAL 13 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3dj3 s VAL 13 CO 0.00 0.21 -0.24 -1.10 0.00 0.00 0.00 175.10 173.97 3dj3 s GLN 14 N 1.24 1.60 -0.22 2.72 1.11 -0.14 -5.01 119.66 120.96 3dj3 s GLN 14 Ca -0.02 -1.04 -0.07 0.00 0.01 0.00 0.00 55.36 54.24 3dj3 s GLN 14 Cb -0.17 -1.75 -0.03 0.00 -1.01 0.00 0.00 33.01 30.05 3dj3 s GLN 14 CO -0.08 0.45 0.05 0.50 0.01 0.00 0.00 175.29 176.22 3dj3 s ARG 15 N -1.23 3.72 -0.09 2.91 3.52 -1.26 -1.26 118.95 125.26 3dj3 s ARG 15 Ca 0.10 -0.46 0.04 0.00 -0.13 0.00 0.00 55.73 55.28 3dj3 s ARG 15 Cb -0.09 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 3dj3 s ARG 15 CO 0.02 -0.03 -0.21 0.08 -0.81 0.00 0.00 175.30 174.35 3dj3 s VAL 16 N 1.18 2.39 -0.25 7.11 1.01 0.17 -4.97 120.40 127.04 3dj3 s VAL 16 Ca 0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3dj3 s VAL 16 Cb -0.14 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.34 3dj3 s VAL 16 CO 0.03 0.56 -0.07 -0.70 0.00 0.00 0.00 175.10 174.92 3dj3 s GLU 17 N 0.05 2.82 -0.14 2.72 2.12 -1.26 0.14 118.70 125.15 3dj3 s GLU 17 Ca -0.09 -0.98 -0.06 0.00 0.36 0.00 0.00 54.97 54.20 3dj3 s GLU 17 Cb -0.15 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3dj3 s GLU 17 CO 0.05 -0.40 0.07 0.42 -0.54 0.00 0.00 175.26 174.86 3dj3 s ILE 18 N 1.32 4.85 -0.43 -3.70 1.01 -0.13 -4.68 121.20 119.43 3dj3 s ILE 18 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 3dj3 s ILE 18 Cb -0.17 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.24 3dj3 s ILE 18 CO -0.05 0.53 0.29 -1.00 0.00 0.00 0.00 174.94 174.71 3dj3 s HIS 19 N -0.27 3.30 0.26 3.97 3.76 -1.26 -1.84 115.29 123.21 3dj3 s HIS 19 Ca 0.08 -1.32 -0.31 0.00 -0.15 0.00 0.00 55.06 53.37 3dj3 s HIS 19 Cb -0.12 -2.95 -0.13 0.00 1.11 0.00 0.00 32.58 30.49 3dj3 s HIS 19 CO 0.01 -0.81 1.47 1.63 -0.85 0.00 0.00 174.74 176.20 3dj3 n LYS 20 N 5.00 2.26 -3.15 1.40 5.02 -0.17 -4.80 118.16 123.71 3dj3 n LYS 20 Ca -0.11 0.80 -0.40 0.00 -2.02 0.00 0.00 58.31 56.59 3dj3 n LYS 20 Cb 0.43 -2.51 -0.06 0.00 -0.02 0.00 0.00 35.03 32.88 3dj3 n LYS 20 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dj3 s LEU 21 N -0.07 4.17 0.22 -0.35 2.96 -1.06 -4.92 118.68 119.63 3dj3 s LEU 21 Ca 0.67 0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 3dj3 s LEU 21 Cb -0.60 -2.85 -0.08 0.00 0.50 0.00 0.00 46.19 43.16 3dj3 s LEU 21 CO 0.49 -0.22 1.03 -0.60 -1.32 0.00 0.00 176.35 175.72 3dj3 s ARG 22 N 1.69 4.71 -0.48 1.98 6.06 -1.26 -2.11 118.95 129.54 3dj3 s ARG 22 Ca 0.28 1.63 0.06 0.00 -2.50 0.00 0.00 55.73 55.21 3dj3 s ARG 22 Cb -0.16 -3.27 0.23 0.00 0.06 0.00 0.00 34.95 31.82 3dj3 s ARG 22 CO 0.11 0.28 0.79 1.04 -2.50 0.00 0.00 175.30 175.01 3dj3 n GLN 23 N 1.81 0.72 0.00 5.12 6.02 -0.21 -4.98 117.38 125.86 3dj3 n GLN 23 Ca 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 3dj3 n GLN 23 Cb 0.46 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3dj3 n GLN 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dj3 n GLY 24 N 1.83 1.42 0.91 1.08 0.00 -1.26 -3.17 105.19 106.00 3dj3 n GLY 24 Ca 0.13 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.48 3dj3 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dj3 n GLU 25 N 3.28 2.96 -4.26 1.61 -0.58 -1.26 -4.97 120.64 117.42 3dj3 n GLU 25 Ca 0.00 -2.36 -0.24 0.00 -0.42 0.00 0.00 57.16 54.14 3dj3 n GLU 25 Cb 0.00 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.33 3dj3 n GLU 25 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dj3 s ASN 26 N -1.11 4.64 -0.34 1.62 -0.87 -1.19 -5.10 114.94 112.59 3dj3 s ASN 26 Ca 0.33 -0.55 -0.00 0.00 -1.57 0.00 0.00 52.86 51.07 3dj3 s ASN 26 Cb 0.20 -0.92 0.13 0.00 -0.02 0.00 0.00 41.25 40.64 3dj3 s ASN 26 CO 0.19 0.03 0.21 -0.76 -2.57 0.00 0.00 177.10 174.20 3dj3 s LEU 27 N -3.41 0.78 0.48 0.60 1.43 -1.25 -1.04 118.68 116.26 3dj3 s LEU 27 Ca 0.30 -1.94 -0.20 0.00 -1.03 0.00 0.00 54.13 51.25 3dj3 s LEU 27 Cb -0.07 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.77 3dj3 s LEU 27 CO 0.19 -0.33 1.02 0.27 0.23 0.00 0.00 176.35 177.74 3dj3 s ILE 28 N 1.32 3.88 -0.80 -0.59 -4.36 -0.90 -4.70 121.20 115.05 3dj3 s ILE 28 Ca 0.16 1.18 0.13 0.00 -0.26 0.00 0.00 60.65 61.86 3dj3 s ILE 28 Cb -0.21 -3.48 -0.10 0.00 1.25 0.00 0.00 42.46 39.92 3dj3 s ILE 28 CO -0.07 -0.25 0.62 0.18 0.24 0.00 0.00 174.94 175.66 3dj3 n LEU 29 N -0.90 0.87 -1.97 0.37 4.77 -1.26 -2.56 117.00 116.32 3dj3 n LEU 29 Ca 0.09 -0.58 -0.16 0.00 -0.03 0.00 0.00 56.01 55.33 3dj3 n LEU 29 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3dj3 n LEU 29 CO 0.39 0.19 -0.13 0.61 -1.33 0.00 0.00 177.39 177.12 3dj3 n GLY 30 N 1.23 -0.25 3.56 -0.72 0.00 -1.26 -2.63 105.19 105.12 3dj3 n GLY 30 Ca 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3dj3 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dj3 s PHE 31 N -2.86 -0.28 0.24 1.61 -0.12 -1.26 0.17 117.98 115.48 3dj3 s PHE 31 Ca 0.08 0.33 0.09 0.00 -0.05 0.00 0.00 56.93 57.38 3dj3 s PHE 31 Cb -0.04 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.80 3dj3 s PHE 31 CO 0.10 -0.35 -0.15 -1.12 -0.05 0.00 0.00 175.22 173.65 3dj3 s SER 32 N -1.77 2.93 0.49 1.98 0.01 -0.67 -4.98 113.70 111.70 3dj3 s SER 32 Ca 0.04 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.27 3dj3 s SER 32 Cb -0.01 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 3dj3 s SER 32 CO -0.04 -0.14 0.00 0.27 0.41 0.00 0.00 173.24 173.75 3dj3 s ILE 33 N -2.83 1.34 0.16 1.44 -4.36 -1.26 -2.87 121.20 112.82 3dj3 s ILE 33 Ca 0.26 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.48 3dj3 s ILE 33 Cb -0.01 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.38 3dj3 s ILE 33 CO 0.10 0.00 0.46 -0.83 0.24 0.00 0.00 174.94 174.91 3dj3 s GLY 34 N -3.84 -0.15 0.00 6.27 0.00 -0.97 -4.76 107.32 103.87 3dj3 s GLY 34 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3dj3 s GLY 34 CO 0.06 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.48 3dj3 n GLY 35 N -0.29 -0.91 0.00 0.20 0.00 -1.26 -0.98 105.19 101.96 3dj3 n GLY 35 Ca -0.13 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3dj3 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dj3 n GLY 36 N 0.00 2.67 0.16 -0.02 0.00 -0.65 -3.67 105.19 103.68 3dj3 n GLY 36 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.38 3dj3 n GLY 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3dj3 h ILE 37 N 0.00 0.00 -0.34 -0.61 3.07 -1.13 -0.34 117.51 118.16 3dj3 h ILE 37 Ca 0.00 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.31 3dj3 h ILE 37 Cb 0.00 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 37.26 3dj3 h ILE 37 CO 0.00 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.20 3dj3 n ASP 38 N -2.31 2.34 -4.67 2.16 5.75 -1.26 -4.91 116.55 113.64 3dj3 n ASP 38 Ca -0.00 -1.89 -0.25 0.00 -0.01 0.00 0.00 54.79 52.64 3dj3 n ASP 38 Cb 0.12 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 3dj3 n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3dj3 s GLN 39 N -1.56 2.13 -0.45 0.11 -1.52 -0.14 -4.97 119.66 113.25 3dj3 s GLN 39 Ca 0.33 -1.81 -0.14 0.00 -1.95 0.00 0.00 55.36 51.79 3dj3 s GLN 39 Cb 0.18 -1.93 0.07 0.00 -0.22 0.00 0.00 33.01 31.11 3dj3 s GLN 39 CO 0.25 0.03 0.36 0.34 -0.25 0.00 0.00 175.29 176.01 3dj3 s ASP 40 N -3.78 6.02 0.59 5.90 -1.08 -1.26 -4.89 116.67 118.16 3dj3 s ASP 40 Ca 0.37 -1.34 0.16 0.00 -0.52 0.00 0.00 52.55 51.22 3dj3 s ASP 40 Cb 0.02 -2.13 0.55 0.00 -1.46 0.00 0.00 42.92 39.90 3dj3 s ASP 40 CO 0.20 -0.61 1.12 -2.65 0.52 0.00 0.00 175.17 173.76 3dj3 n PRO 41 N 5.13 0.02 0.08 4.34 -0.02 -1.26 -0.35 135.00 142.93 3dj3 n PRO 41 Ca -0.12 0.94 0.13 0.00 -2.02 0.00 0.00 63.50 62.43 3dj3 n PRO 41 Cb 0.44 -2.40 0.46 0.00 -0.02 0.00 0.00 33.50 31.98 3dj3 n PRO 41 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dj3 n SER 42 N -2.86 0.57 -0.06 2.55 7.64 -1.26 -2.78 113.62 117.42 3dj3 n SER 42 Ca 0.14 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.70 3dj3 n SER 42 Cb 1.27 -0.71 0.07 0.00 -1.01 0.00 0.00 64.21 63.82 3dj3 n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dj3 n GLN 43 N -2.05 0.18 -3.32 1.43 3.00 0.52 -4.69 117.38 112.45 3dj3 n GLN 43 Ca 0.05 -0.13 -0.46 0.00 -0.01 0.00 0.00 57.00 56.45 3dj3 n GLN 43 Cb 0.38 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.08 3dj3 n GLN 43 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3dj3 s ASN 44 N -2.91 6.29 0.00 1.08 3.04 -1.12 -4.93 114.94 116.39 3dj3 s ASN 44 Ca 0.11 -1.98 0.00 0.00 0.04 0.00 0.00 52.86 51.03 3dj3 s ASN 44 Cb 0.17 -2.20 0.00 0.00 -1.54 0.00 0.00 41.25 37.68 3dj3 s ASN 44 CO 0.75 -0.80 0.09 -0.81 -3.04 0.00 0.00 177.10 173.29 3dj3 n PRO 45 N 4.98 0.00 -0.01 0.43 -0.04 -1.26 -1.83 135.00 137.27 3dj3 n PRO 45 Ca -0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.38 3dj3 n PRO 45 Cb 0.41 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 3dj3 n PRO 45 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dj3 n PHE 46 N -0.55 0.00 -1.34 0.54 3.72 -1.26 -5.04 117.46 113.53 3dj3 n PHE 46 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 3dj3 n PHE 46 Cb 0.00 -0.11 0.06 0.00 -0.94 0.00 0.00 39.48 38.49 3dj3 n PHE 46 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dj3 n SER 47 N -1.80 -0.96 0.07 4.37 3.41 -0.76 -4.90 113.62 113.05 3dj3 n SER 47 Ca -0.02 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3dj3 n SER 47 Cb 0.27 -1.23 -0.02 0.00 -0.26 0.00 0.00 64.21 62.97 3dj3 n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dj3 n GLU 48 N -0.64 0.56 -1.35 4.33 1.02 -1.26 -5.02 120.64 118.27 3dj3 n GLU 48 Ca 0.11 0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3dj3 n GLU 48 Cb 0.49 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3dj3 n GLU 48 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3dj3 n ASP 49 N -2.47 -0.07 0.10 1.62 5.68 -1.26 -5.01 116.55 115.13 3dj3 n ASP 49 Ca -0.00 -1.04 0.12 0.00 -0.50 0.00 0.00 54.79 53.36 3dj3 n ASP 49 Cb 0.53 0.12 0.45 0.00 -1.14 0.00 0.00 41.12 41.09 3dj3 n ASP 49 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3dj3 n LYS 50 N -0.02 0.18 0.03 0.11 4.76 -1.26 -2.93 118.16 119.03 3dj3 n LYS 50 Ca -0.00 0.29 0.08 0.00 -2.87 0.00 0.00 58.31 55.81 3dj3 n LYS 50 Cb 0.02 -1.78 -0.10 0.00 -1.84 0.00 0.00 35.03 31.34 3dj3 n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3dj3 n THR 51 N -2.11 0.48 -1.80 -0.18 -2.24 -1.26 -4.71 114.28 102.47 3dj3 n THR 51 Ca 0.04 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 3dj3 n THR 51 Cb 0.31 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 3dj3 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dj3 s ASP 52 N -5.06 4.76 -0.20 3.42 -1.08 -1.15 -4.76 116.67 112.60 3dj3 s ASP 52 Ca -0.05 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.61 3dj3 s ASP 52 Cb 0.11 -2.52 0.67 0.00 -1.46 0.00 0.00 42.92 39.72 3dj3 s ASP 52 CO 0.85 -2.80 1.58 0.29 0.52 0.00 0.00 175.17 175.61 3dj3 n LYS 53 N 9.04 3.88 -1.48 4.34 4.76 -1.26 -4.47 118.16 132.97 3dj3 n LYS 53 Ca 0.32 -2.98 -0.29 0.00 -2.87 0.00 0.00 58.31 52.49 3dj3 n LYS 53 Cb 0.52 -2.04 0.15 0.00 -1.84 0.00 0.00 35.03 31.82 3dj3 n LYS 53 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3dj3 s GLY 54 N -1.35 1.59 -0.25 0.72 0.00 -1.26 -1.64 107.32 105.13 3dj3 s GLY 54 Ca 0.48 -0.58 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 3dj3 s GLY 54 CO 0.13 0.02 0.28 -0.42 0.00 0.00 0.00 173.10 173.11 3dj3 s ILE 55 N -3.26 5.26 0.42 0.90 -1.09 -1.26 -2.67 121.20 119.50 3dj3 s ILE 55 Ca 0.65 0.42 0.07 0.00 -2.23 0.00 0.00 60.65 59.55 3dj3 s ILE 55 Cb -0.14 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.05 3dj3 s ILE 55 CO 0.54 0.25 0.01 -0.31 -1.23 0.00 0.00 174.94 174.20 3dj3 s TYR 56 N 1.52 2.46 -0.57 3.97 2.02 -0.15 -1.52 117.35 125.09 3dj3 s TYR 56 Ca 0.12 -0.69 -0.13 0.00 -0.37 0.00 0.00 57.07 56.00 3dj3 s TYR 56 Cb -0.15 -1.76 0.14 0.00 -0.40 0.00 0.00 41.96 39.79 3dj3 s TYR 56 CO 0.08 0.43 0.49 0.08 -1.57 0.00 0.00 175.55 175.06 3dj3 s VAL 57 N -2.73 4.92 -0.29 0.71 1.01 -0.15 -2.29 120.40 121.59 3dj3 s VAL 57 Ca 0.33 -1.79 0.20 0.00 0.00 0.00 0.00 61.98 60.71 3dj3 s VAL 57 Cb 0.09 -4.16 0.16 0.00 0.00 0.00 0.00 36.38 32.47 3dj3 s VAL 57 CO 0.17 -0.87 1.41 0.71 0.00 0.00 0.00 175.10 176.52 3dj3 h THR 58 N 5.77 0.33 -2.83 3.92 1.35 -1.82 1.89 112.91 121.51 3dj3 h THR 58 Ca -0.20 -1.49 -0.11 0.00 -0.55 0.00 0.00 66.41 64.06 3dj3 h THR 58 Cb 1.08 2.07 -0.21 0.00 -1.73 0.00 0.00 68.15 69.35 3dj3 h THR 58 CO 0.93 0.19 -0.22 -0.60 -0.25 0.00 0.00 175.52 175.57 3dj3 s ARG 59 N -3.13 0.63 -0.04 4.72 3.52 -1.17 -4.82 118.95 118.66 3dj3 s ARG 59 Ca 0.04 0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 55.76 3dj3 s ARG 59 Cb 0.07 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.78 3dj3 s ARG 59 CO 0.72 -0.15 0.09 0.08 -0.81 0.00 0.00 175.30 175.23 3dj3 s VAL 60 N -0.73 -0.05 0.41 7.11 1.01 -1.26 -1.66 120.40 125.23 3dj3 s VAL 60 Ca -0.08 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 3dj3 s VAL 60 Cb -0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 36.38 36.08 3dj3 s VAL 60 CO 0.03 0.07 0.96 -0.44 0.00 0.00 0.00 175.10 175.72 3dj3 s SER 61 N 1.02 6.99 -0.02 3.32 0.01 0.46 -4.93 113.70 120.55 3dj3 s SER 61 Ca -0.08 1.74 -0.25 0.00 1.31 0.00 0.00 55.95 58.67 3dj3 s SER 61 Cb -0.11 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 3dj3 s SER 61 CO -0.04 -0.32 0.78 -1.61 0.41 0.00 0.00 173.24 172.45 3dj3 s GLU 62 N -2.94 4.48 0.00 12.44 2.02 -1.26 -3.03 118.70 130.41 3dj3 s GLU 62 Ca 0.60 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.63 3dj3 s GLU 62 Cb -0.12 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.69 3dj3 s GLU 62 CO 0.16 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.96 3dj3 n GLY 63 N 2.83 2.37 3.62 -1.39 0.00 -1.26 -4.98 105.19 106.39 3dj3 n GLY 63 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3dj3 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dj3 n GLY 64 N -2.00 -0.78 0.00 -0.02 0.00 -1.17 -4.82 105.19 96.41 3dj3 n GLY 64 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.29 3dj3 n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dj3 n PRO 65 N -4.41 0.26 -0.05 1.61 -0.04 -1.26 -2.73 135.00 128.39 3dj3 n PRO 65 Ca 0.10 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.64 3dj3 n PRO 65 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 3dj3 n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dj3 h ALA 66 N 2.89 -0.02 -0.72 0.55 0.00 -1.76 -2.99 119.26 117.21 3dj3 h ALA 66 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.96 3dj3 h ALA 66 Cb 0.19 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3dj3 h ALA 66 CO 0.00 -0.02 0.27 1.49 0.00 0.00 0.00 179.25 180.99 3dj3 h GLU 67 N -1.00 0.41 -0.57 0.00 4.81 -1.74 0.49 114.58 116.98 3dj3 h GLU 67 Ca -0.00 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3dj3 h GLU 67 Cb 0.16 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 3dj3 h GLU 67 CO 0.00 0.27 0.16 0.82 -0.73 0.00 0.00 179.01 179.53 3dj3 h ILE 68 N 0.42 0.72 -0.22 2.32 1.08 -1.62 -1.26 117.51 118.95 3dj3 h ILE 68 Ca 0.39 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 64.68 3dj3 h ILE 68 Cb 0.57 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3dj3 h ILE 68 CO -0.39 0.06 -0.18 0.00 -0.69 0.00 0.00 178.15 176.95 3dj3 h ALA 69 N 1.42 1.30 0.00 1.87 0.00 -0.78 -3.46 119.26 119.61 3dj3 h ALA 69 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dj3 h ALA 69 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dj3 h ALA 69 CO -0.34 0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3dj3 n GLY 70 N -0.63 0.46 3.64 0.00 0.00 -0.48 -4.71 105.19 103.47 3dj3 n GLY 70 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3dj3 n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dj3 n LEU 71 N 0.00 2.52 -4.44 0.99 -0.00 -0.76 -4.94 117.00 110.38 3dj3 n LEU 71 Ca 0.00 1.17 -0.21 0.00 -0.00 0.00 0.00 56.01 56.97 3dj3 n LEU 71 Cb 0.00 -1.36 -0.10 0.00 -0.00 0.00 0.00 43.42 41.96 3dj3 n LEU 71 CO 0.00 -0.92 -0.35 -1.10 -0.00 0.00 0.00 177.39 175.02 3dj3 s GLN 72 N -1.14 1.57 0.07 1.96 -0.21 -1.26 -4.32 119.66 116.33 3dj3 s GLN 72 Ca 0.63 -1.81 -0.30 0.00 0.02 0.00 0.00 55.36 53.90 3dj3 s GLN 72 Cb -0.68 -1.12 -0.05 0.00 1.00 0.00 0.00 33.01 32.16 3dj3 s GLN 72 CO 0.57 0.00 0.98 0.42 -2.12 0.00 0.00 175.29 175.14 3dj3 s ILE 73 N -3.05 4.61 0.00 1.08 1.01 -1.26 -3.14 121.20 120.45 3dj3 s ILE 73 Ca 0.31 2.03 0.00 0.00 0.00 0.00 0.00 60.65 62.99 3dj3 s ILE 73 Cb 0.05 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3dj3 s ILE 73 CO 0.12 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3dj3 n GLY 74 N 2.53 3.03 3.32 6.18 0.00 0.64 -4.97 105.19 115.93 3dj3 n GLY 74 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 3dj3 n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dj3 n ASP 75 N 0.00 -1.66 -4.22 1.61 9.92 -1.19 -4.36 116.55 116.65 3dj3 n ASP 75 Ca 0.00 1.03 -0.40 0.00 -0.53 0.00 0.00 54.79 54.89 3dj3 n ASP 75 Cb 0.00 -0.92 -0.10 0.00 -0.64 0.00 0.00 41.12 39.46 3dj3 n ASP 75 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3dj3 s LYS 76 N -0.98 2.46 -0.30 -1.24 2.20 -0.83 -0.97 119.74 120.07 3dj3 s LYS 76 Ca 0.62 -1.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 3dj3 s LYS 76 Cb -0.84 -3.77 -0.01 0.00 -1.51 0.00 0.00 37.83 31.70 3dj3 s LYS 76 CO 0.57 -1.04 1.49 0.42 -0.36 0.00 0.00 175.35 176.43 3dj3 s ILE 77 N 1.35 3.86 -0.24 5.43 1.09 -0.58 -2.26 121.20 129.86 3dj3 s ILE 77 Ca 0.04 0.94 0.17 0.00 -1.10 0.00 0.00 60.65 60.70 3dj3 s ILE 77 Cb -0.24 -3.96 -0.24 0.00 -1.06 0.00 0.00 42.46 36.96 3dj3 s ILE 77 CO 0.00 -0.48 0.47 1.15 -0.10 0.00 0.00 174.94 175.98 3dj3 n MET 78 N 7.74 0.83 -3.93 2.79 0.00 0.19 -4.43 117.12 120.30 3dj3 n MET 78 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 57.70 57.67 3dj3 n MET 78 Cb 0.46 -1.36 -0.09 0.00 0.00 0.00 0.00 33.22 32.23 3dj3 n MET 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 3dj3 s GLN 79 N -2.99 0.62 -0.26 3.17 0.74 -0.80 -1.97 119.66 118.17 3dj3 s GLN 79 Ca -0.03 -0.81 -0.02 0.00 0.05 0.00 0.00 55.36 54.56 3dj3 s GLN 79 Cb 0.11 0.24 0.13 0.00 1.10 0.00 0.00 33.01 34.59 3dj3 s GLN 79 CO 0.70 -0.16 0.30 0.08 -0.55 0.00 0.00 175.29 175.65 3dj3 s VAL 80 N -2.86 -0.43 -1.72 1.34 1.01 -0.69 -2.40 120.40 114.66 3dj3 s VAL 80 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3dj3 s VAL 80 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3dj3 s VAL 80 CO -0.06 -0.35 0.00 0.59 0.00 0.00 0.00 175.10 175.29 3dj3 n ASN 81 N 5.32 -5.23 0.00 3.32 3.02 0.76 -0.89 115.26 121.56 3dj3 n ASN 81 Ca -0.03 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 3dj3 n ASN 81 Cb 0.48 -4.47 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 3dj3 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dj3 n GLY 82 N -0.76 1.37 3.76 7.41 0.00 -1.26 -4.95 105.19 110.76 3dj3 n GLY 82 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3dj3 n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dj3 s TRP 83 N -2.38 3.71 -0.39 1.61 0.52 -0.07 -4.99 118.94 116.95 3dj3 s TRP 83 Ca 0.00 1.78 -0.29 0.00 0.02 0.00 0.00 56.10 57.62 3dj3 s TRP 83 Cb 0.00 -3.11 0.01 0.00 -1.15 0.00 0.00 33.47 29.22 3dj3 s TRP 83 CO 0.00 -0.09 1.28 0.34 0.02 0.00 0.00 176.95 178.50 3dj3 s ASP 84 N -1.16 6.56 -0.22 2.95 -1.08 -1.26 -1.70 116.67 120.76 3dj3 s ASP 84 Ca 0.45 0.87 0.15 0.00 -0.52 0.00 0.00 52.55 53.50 3dj3 s ASP 84 Cb -0.27 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.33 3dj3 s ASP 84 CO 0.34 -1.24 1.60 0.23 0.52 0.00 0.00 175.17 176.63 3dj3 n MET 85 N 7.69 3.85 -0.03 4.34 2.81 -0.83 -4.59 117.12 130.35 3dj3 n MET 85 Ca 0.14 -3.02 -0.15 0.00 -1.81 0.00 0.00 57.70 52.86 3dj3 n MET 85 Cb 0.48 -2.07 -0.11 0.00 -0.71 0.00 0.00 33.22 30.81 3dj3 n MET 85 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3dj3 h THR 86 N 2.83 1.53 -1.93 2.03 1.35 -1.83 -3.36 112.91 113.53 3dj3 h THR 86 Ca 0.03 -1.83 -0.66 0.00 -0.55 0.00 0.00 66.41 63.40 3dj3 h THR 86 Cb 1.77 2.66 -0.37 0.00 -1.73 0.00 0.00 68.15 70.49 3dj3 h THR 86 CO 0.39 0.50 -0.08 0.23 -0.25 0.00 0.00 175.52 176.31 3dj3 n MET 87 N -4.56 3.53 -4.43 4.72 2.81 -1.26 -4.66 117.12 113.28 3dj3 n MET 87 Ca -0.09 -4.42 -0.21 0.00 -1.81 0.00 0.00 57.70 51.16 3dj3 n MET 87 Cb 0.46 -2.28 -0.10 0.00 -0.71 0.00 0.00 33.22 30.59 3dj3 n MET 87 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3dj3 s VAL 88 N -4.99 1.73 0.52 2.03 -7.23 -1.26 -4.92 120.40 106.28 3dj3 s VAL 88 Ca 0.48 -2.15 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 3dj3 s VAL 88 Cb 0.35 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 3dj3 s VAL 88 CO -0.22 -0.34 0.90 0.42 -0.31 0.00 0.00 175.10 175.56 3dj3 s THR 89 N -2.96 4.75 0.18 5.32 -4.23 -1.26 -1.32 115.64 116.12 3dj3 s THR 89 Ca 0.29 0.69 -0.18 0.00 -1.18 0.00 0.00 61.69 61.31 3dj3 s THR 89 Cb 0.03 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.18 3dj3 s THR 89 CO 0.12 -0.86 1.63 -0.74 -0.54 0.00 0.00 174.62 174.23 3dj3 h HIS 90 N 0.36 -0.47 0.00 3.99 2.76 -1.85 -0.92 115.15 119.03 3dj3 h HIS 90 Ca -0.46 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 57.73 3dj3 h HIS 90 Cb 1.19 0.28 -0.00 0.00 1.55 0.00 0.00 27.41 30.42 3dj3 h HIS 90 CO 0.62 -0.27 -0.12 0.22 -1.30 0.00 0.00 177.93 177.08 3dj3 h ASP 91 N -0.09 0.00 0.80 3.26 3.58 -1.93 0.69 116.42 122.73 3dj3 h ASP 91 Ca 0.22 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.50 3dj3 h ASP 91 Cb 0.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3dj3 h ASP 91 CO -0.52 0.12 -0.80 1.56 -2.88 0.00 0.00 179.24 176.73 3dj3 h GLN 92 N 0.00 0.00 0.02 0.28 4.20 -1.58 -2.91 115.11 115.13 3dj3 h GLN 92 Ca -0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dj3 h GLN 92 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3dj3 h GLN 92 CO 0.02 0.80 -0.01 0.00 -0.67 0.00 0.00 178.83 178.97 3dj3 h ALA 93 N 1.20 -0.03 -0.78 3.87 0.00 -0.37 -3.03 119.26 120.12 3dj3 h ALA 93 Ca -0.01 -0.29 0.19 0.00 0.00 0.00 0.00 54.91 54.80 3dj3 h ALA 93 Cb 1.42 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 3dj3 h ALA 93 CO 0.10 -0.04 0.53 -0.09 0.00 0.00 0.00 179.25 179.75 3dj3 h ARG 94 N -0.98 0.24 -0.28 0.00 2.43 -1.02 0.18 114.38 114.96 3dj3 h ARG 94 Ca -0.00 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 3dj3 h ARG 94 Cb 0.58 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3dj3 h ARG 94 CO 0.01 0.16 -0.35 -0.22 -1.51 0.00 0.00 179.97 178.05 3dj3 h LYS 95 N 0.24 0.61 -0.33 0.20 3.64 -1.60 0.04 116.57 119.38 3dj3 h LYS 95 Ca 0.39 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3dj3 h LYS 95 Cb 1.14 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3dj3 h LYS 95 CO -0.09 0.87 -0.22 0.00 -2.27 0.00 0.00 179.45 177.75 3dj3 h ARG 96 N 0.52 0.63 0.02 1.90 2.47 -0.53 -3.20 114.38 116.18 3dj3 h ARG 96 Ca 0.05 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 3dj3 h ARG 96 Cb 0.84 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 3dj3 h ARG 96 CO 0.07 0.80 -0.23 -0.07 0.56 0.00 0.00 179.97 181.10 3dj3 h LEU 97 N 0.56 0.06 -1.52 3.04 3.38 -1.30 -3.37 115.31 116.15 3dj3 h LEU 97 Ca 0.08 -0.95 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 3dj3 h LEU 97 Cb 0.68 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3dj3 h LEU 97 CO 0.05 1.10 0.01 0.35 0.09 0.00 0.00 178.44 180.04 3dj3 n THR 98 N -4.53 0.53 -1.73 0.22 -2.24 -0.01 -4.92 114.28 101.61 3dj3 n THR 98 Ca -0.13 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 3dj3 n THR 98 Cb 0.54 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 3dj3 n THR 98 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dj3 n LYS 99 N 0.19 2.63 -0.04 -0.78 4.76 -1.21 -4.89 118.16 118.82 3dj3 n LYS 99 Ca 0.02 0.94 -0.16 0.00 -2.87 0.00 0.00 58.31 56.24 3dj3 n LYS 99 Cb 0.41 -2.73 -0.07 0.00 -1.84 0.00 0.00 35.03 30.80 3dj3 n LYS 99 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3dj3 h ARG 100 N 5.28 0.66 -0.66 1.97 9.65 -1.92 -3.25 114.38 126.10 3dj3 h ARG 100 Ca -0.46 -0.49 0.00 0.00 -1.10 0.00 0.00 59.98 57.94 3dj3 h ARG 100 Cb 1.23 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 3dj3 h ARG 100 CO 0.83 1.11 0.00 -1.13 2.80 0.00 0.00 179.97 183.58 3dj3 n SER 101 N -4.14 0.66 -3.85 -3.80 3.41 -1.26 -4.72 113.62 99.91 3dj3 n SER 101 Ca -0.07 -1.98 -0.19 0.00 -0.26 0.00 0.00 58.87 56.37 3dj3 n SER 101 Cb 0.62 -0.33 -0.16 0.00 -0.26 0.00 0.00 64.21 64.07 3dj3 n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dj3 s GLU 102 N -1.33 0.62 -0.00 4.33 2.02 -1.23 -5.03 118.70 118.07 3dj3 s GLU 102 Ca 0.00 -0.02 0.13 0.00 0.02 0.00 0.00 54.97 55.10 3dj3 s GLU 102 Cb 0.00 -0.73 -0.15 0.00 0.10 0.00 0.00 34.13 33.35 3dj3 s GLU 102 CO 0.00 -0.13 0.47 0.39 0.02 0.00 0.00 175.26 176.01 3dj3 n GLU 103 N 4.22 2.18 -4.34 1.61 1.02 -1.26 -4.79 120.64 119.27 3dj3 n GLU 103 Ca -0.23 -0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.58 3dj3 n GLU 103 Cb 0.51 -1.15 -0.17 0.00 -0.02 0.00 0.00 31.44 30.61 3dj3 n GLU 103 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dj3 s VAL 104 N -2.38 1.56 -0.08 2.62 1.01 -1.26 -1.00 120.40 120.87 3dj3 s VAL 104 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3dj3 s VAL 104 Cb 0.09 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3dj3 s VAL 104 CO 0.52 0.45 -0.17 0.54 0.00 0.00 0.00 175.10 176.45 3dj3 s VAL 105 N 1.13 1.50 -0.14 2.92 0.11 -0.77 -5.01 120.40 120.14 3dj3 s VAL 105 Ca -0.03 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 3dj3 s VAL 105 Cb -0.14 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 3dj3 s VAL 105 CO -0.04 0.44 0.00 -0.13 -3.33 0.00 0.00 175.10 172.03 3dj3 s ARG 106 N 0.52 3.49 0.08 1.54 0.52 -1.26 -0.96 118.95 122.88 3dj3 s ARG 106 Ca -0.16 -0.43 0.10 0.00 -0.52 0.00 0.00 55.73 54.71 3dj3 s ARG 106 Cb -0.17 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 3dj3 s ARG 106 CO 0.06 0.42 -0.26 -0.51 0.02 0.00 0.00 175.30 175.03 3dj3 s LEU 107 N -0.10 2.23 -0.20 2.53 1.02 0.37 0.27 118.68 124.80 3dj3 s LEU 107 Ca 0.04 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.54 3dj3 s LEU 107 Cb -0.13 -1.24 0.02 0.00 0.02 0.00 0.00 46.19 44.86 3dj3 s LEU 107 CO 0.02 0.22 -0.16 -0.22 0.02 0.00 0.00 176.35 176.23 3dj3 s LEU 108 N -1.56 2.43 0.17 1.79 0.20 -1.01 0.46 118.68 121.16 3dj3 s LEU 108 Ca 0.12 -0.71 0.01 0.00 0.69 0.00 0.00 54.13 54.24 3dj3 s LEU 108 Cb -0.10 -1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 3dj3 s LEU 108 CO 0.04 -0.03 0.01 0.68 -0.29 0.00 0.00 176.35 176.76 3dj3 s VAL 109 N 1.30 0.59 0.40 1.68 -7.23 -0.39 0.52 120.40 117.27 3dj3 s VAL 109 Ca 0.03 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 3dj3 s VAL 109 Cb -0.14 -2.11 -0.07 0.00 0.56 0.00 0.00 36.38 34.61 3dj3 s VAL 109 CO -0.10 -0.47 0.02 0.42 -0.31 0.00 0.00 175.10 174.66 3dj3 s THR 110 N -3.72 2.11 0.00 5.32 -4.23 -0.96 -0.96 115.64 113.20 3dj3 s THR 110 Ca 0.24 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3dj3 s THR 110 Cb 0.06 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3dj3 s THR 110 CO 0.04 -0.04 0.00 -2.11 -0.54 0.00 0.00 174.62 171.97