#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6k s ASP 3 N 0.00 5.49 0.14 4.52 1.01 -1.26 -1.17 116.67 125.40 2j6k s ASP 3 Ca 0.00 0.04 0.10 0.00 0.71 0.00 0.00 52.55 53.40 2j6k s ASP 3 Cb 0.00 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.39 2j6k s ASP 3 CO 0.00 0.23 -0.19 -0.31 0.21 0.00 0.00 175.17 175.11 2j6k s TYR 4 N -1.26 2.49 -0.12 4.23 2.02 -0.18 -1.16 117.35 123.37 2j6k s TYR 4 Ca 0.25 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.59 2j6k s TYR 4 Cb -0.12 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2j6k s TYR 4 CO 0.17 0.41 0.17 -1.50 -1.57 0.00 0.00 175.55 173.23 2j6k s ILE 5 N -1.28 5.45 -0.06 2.71 2.07 0.02 -0.23 121.20 129.88 2j6k s ILE 5 Ca 0.19 0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 59.40 2j6k s ILE 5 Cb -0.10 -3.44 -0.03 0.00 0.13 0.00 0.00 42.46 39.03 2j6k s ILE 5 CO 0.10 0.60 1.08 -0.69 -1.91 0.00 0.00 174.94 174.12 2j6k s VAL 6 N -0.90 4.56 -0.03 4.00 1.01 -0.01 -0.71 120.40 128.32 2j6k s VAL 6 Ca 0.15 1.84 0.11 0.00 0.00 0.00 0.00 61.98 64.09 2j6k s VAL 6 Cb -0.12 -4.18 -0.17 0.00 0.00 0.00 0.00 36.38 31.90 2j6k s VAL 6 CO 0.04 0.04 0.22 -0.62 0.00 0.00 0.00 175.10 174.78 2j6k n GLU 7 N 4.80 0.63 -3.82 2.72 1.02 0.48 -1.25 120.64 125.22 2j6k n GLU 7 Ca 0.09 -0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2j6k n GLU 7 Cb 0.48 -1.27 -0.13 0.00 -0.02 0.00 0.00 31.44 30.49 2j6k n GLU 7 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2j6k s TYR 8 N -2.72 -0.11 0.28 -0.32 1.51 -0.79 -4.86 117.35 110.34 2j6k s TYR 8 Ca -0.04 0.30 -0.30 0.00 -1.01 0.00 0.00 57.07 56.01 2j6k s TYR 8 Cb 0.07 0.01 -0.13 0.00 -0.11 0.00 0.00 41.96 41.80 2j6k s TYR 8 CO 0.47 -0.07 1.46 -0.25 -1.11 0.00 0.00 175.55 176.04 2j6k n ASP 9 N 3.24 3.17 -4.10 2.29 8.00 -1.26 -4.67 116.55 123.22 2j6k n ASP 9 Ca -0.15 1.16 -0.22 0.00 0.71 0.00 0.00 54.79 56.29 2j6k n ASP 9 Cb 0.58 -1.50 -0.15 0.00 -0.02 0.00 0.00 41.12 40.03 2j6k n ASP 9 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2j6k s TYR 10 N -0.24 1.20 -0.16 1.24 6.14 -0.57 -5.01 117.35 119.94 2j6k s TYR 10 Ca 0.64 -0.23 -0.03 0.00 0.64 0.00 0.00 57.07 58.09 2j6k s TYR 10 Cb -0.58 -0.77 -0.02 0.00 0.42 0.00 0.00 41.96 41.01 2j6k s TYR 10 CO 0.52 -0.02 -0.05 -0.51 0.64 0.00 0.00 175.55 176.13 2j6k s ASP 11 N -0.34 4.57 0.26 4.32 -0.00 -1.26 -0.65 116.67 123.57 2j6k s ASP 11 Ca 0.05 -0.21 -0.30 0.00 -0.00 0.00 0.00 52.55 52.09 2j6k s ASP 11 Cb -0.05 -1.74 -0.10 0.00 -0.00 0.00 0.00 42.92 41.03 2j6k s ASP 11 CO -0.00 0.14 1.35 0.00 -0.00 0.00 0.00 175.17 176.65 2j6k s ALA 12 N 0.55 3.55 -0.65 5.23 0.00 -1.26 -4.88 121.76 124.31 2j6k s ALA 12 Ca -0.04 1.23 0.16 0.00 0.00 0.00 0.00 51.96 53.31 2j6k s ALA 12 Cb -0.15 -3.50 -0.18 0.00 0.00 0.00 0.00 23.12 19.29 2j6k s ALA 12 CO 0.03 -0.63 0.63 0.28 0.00 0.00 0.00 175.76 176.07 2j6k n VAL 13 N 1.91 0.00 -4.05 0.00 0.31 -1.26 -4.98 118.33 110.26 2j6k n VAL 13 Ca 0.04 -0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 2j6k n VAL 13 Cb 0.42 0.87 -0.11 0.00 -0.91 0.00 0.00 33.84 34.11 2j6k n VAL 13 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2j6k s HIS 14 N -2.59 0.53 0.48 3.52 3.76 -1.26 -5.05 115.29 114.67 2j6k s HIS 14 Ca 0.04 -0.64 0.15 0.00 -0.15 0.00 0.00 55.06 54.47 2j6k s HIS 14 Cb 0.12 -0.34 1.15 0.00 1.11 0.00 0.00 32.58 34.62 2j6k s HIS 14 CO 0.66 -0.17 2.06 -0.44 -0.85 0.00 0.00 174.74 176.00 2j6k h ASP 15 N 4.19 0.18 -0.06 1.40 3.45 -2.03 -0.76 116.42 122.79 2j6k h ASP 15 Ca -0.34 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.12 2j6k h ASP 15 Cb 1.19 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 2j6k h ASP 15 CO 0.47 0.12 0.00 -0.90 -1.57 0.00 0.00 179.24 177.36 2j6k n ASP 16 N -4.48 0.62 -4.95 6.45 3.85 -1.26 -4.81 116.55 111.97 2j6k n ASP 16 Ca 0.04 -1.50 -0.25 0.00 -0.71 0.00 0.00 54.79 52.37 2j6k n ASP 16 Cb 0.25 -0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 39.95 2j6k n ASP 16 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2j6k s GLU 17 N -1.93 3.44 -0.03 0.11 2.02 -0.29 -0.89 118.70 121.13 2j6k s GLU 17 Ca 0.31 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.54 2j6k s GLU 17 Cb 0.15 -2.94 -0.05 0.00 0.10 0.00 0.00 34.13 31.38 2j6k s GLU 17 CO 0.24 0.50 0.39 -0.51 0.02 0.00 0.00 175.26 175.90 2j6k s LEU 18 N -3.38 4.43 -0.20 1.80 1.43 0.15 -4.66 118.68 118.24 2j6k s LEU 18 Ca 0.35 0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 54.12 2j6k s LEU 18 Cb -0.11 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2j6k s LEU 18 CO 0.29 0.27 0.67 -0.89 0.23 0.00 0.00 176.35 176.92 2j6k s THR 19 N -0.76 4.99 0.11 5.49 2.01 -1.26 -4.07 115.64 122.15 2j6k s THR 19 Ca 0.23 1.26 0.06 0.00 0.31 0.00 0.00 61.69 63.55 2j6k s THR 19 Cb -0.16 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2j6k s THR 19 CO 0.12 0.08 -0.15 0.27 -0.69 0.00 0.00 174.62 174.25 2j6k s ILE 20 N 2.04 1.35 -0.02 1.82 -4.36 0.17 -4.97 121.20 117.24 2j6k s ILE 20 Ca 0.30 -1.59 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 2j6k s ILE 20 Cb -0.16 -1.43 -0.00 0.00 1.25 0.00 0.00 42.46 42.12 2j6k s ILE 20 CO 0.10 -0.31 -0.08 -0.13 0.24 0.00 0.00 174.94 174.76 2j6k s ARG 21 N -2.32 0.76 -0.01 0.37 1.81 -1.26 -1.52 118.95 116.79 2j6k s ARG 21 Ca 0.06 -0.28 -0.31 0.00 -1.72 0.00 0.00 55.73 53.48 2j6k s ARG 21 Cb -0.07 -0.73 -0.15 0.00 -0.45 0.00 0.00 34.95 33.54 2j6k s ARG 21 CO 0.03 0.14 0.84 0.28 -0.68 0.00 0.00 175.30 175.91 2j6k n VAL 22 N 3.10 0.00 0.00 3.52 0.31 -1.26 -1.23 118.33 122.77 2j6k n VAL 22 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2j6k n VAL 22 Cb 0.56 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2j6k n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j6k n GLY 23 N 1.21 2.25 3.77 2.92 0.00 -0.38 -4.99 105.19 109.97 2j6k n GLY 23 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2j6k n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j6k s GLU 24 N -0.39 4.20 -0.21 1.61 2.02 -0.36 -4.75 118.70 120.82 2j6k s GLU 24 Ca 0.00 1.72 -0.11 0.00 0.02 0.00 0.00 54.97 56.60 2j6k s GLU 24 Cb 0.00 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 2j6k s GLU 24 CO 0.00 -0.16 0.18 0.42 0.02 0.00 0.00 175.26 175.72 2j6k s ILE 25 N -1.45 5.37 -0.24 -1.63 1.01 -1.26 -0.83 121.20 122.16 2j6k s ILE 25 Ca 0.55 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.37 2j6k s ILE 25 Cb -0.28 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2j6k s ILE 25 CO 0.35 0.39 0.14 -0.63 0.00 0.00 0.00 174.94 175.19 2j6k s ILE 26 N 0.63 5.07 0.01 2.92 1.01 0.68 -4.84 121.20 126.67 2j6k s ILE 26 Ca 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 2j6k s ILE 26 Cb -0.12 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2j6k s ILE 26 CO 0.01 0.34 0.22 -0.13 0.00 0.00 0.00 174.94 175.38 2j6k s ARG 27 N 1.25 3.49 -1.11 2.79 0.52 0.44 -1.01 118.95 125.33 2j6k s ARG 27 Ca 0.06 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 2j6k s ARG 27 Cb -0.14 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2j6k s ARG 27 CO 0.05 0.65 0.86 -1.71 0.02 0.00 0.00 175.30 175.18 2j6k n ASN 28 N 0.92 -5.56 -4.72 0.23 4.05 -1.19 -0.21 115.26 108.79 2j6k n ASN 28 Ca -0.10 -0.83 -0.41 0.00 0.45 0.00 0.00 54.58 53.68 2j6k n ASN 28 Cb 0.53 -4.43 -0.04 0.00 1.23 0.00 0.00 39.78 37.06 2j6k n ASN 28 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2j6k s VAL 29 N -3.44 4.73 0.00 3.44 1.01 -0.31 -4.43 120.40 121.40 2j6k s VAL 29 Ca 0.41 2.03 0.07 0.00 0.00 0.00 0.00 61.98 64.50 2j6k s VAL 29 Cb -0.09 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2j6k s VAL 29 CO 0.79 0.23 -0.23 -0.75 0.00 0.00 0.00 175.10 175.15 2j6k s LYS 30 N 0.57 2.09 0.19 2.72 2.20 0.14 -4.62 119.74 123.03 2j6k s LYS 30 Ca 0.49 -0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 2j6k s LYS 30 Cb -0.22 -2.11 -0.08 0.00 -1.51 0.00 0.00 37.83 33.91 2j6k s LYS 30 CO 0.28 0.55 1.00 0.15 -0.36 0.00 0.00 175.35 176.98 2j6k s LYS 31 N -0.96 4.72 0.39 4.03 1.02 -1.26 -1.60 119.74 126.08 2j6k s LYS 31 Ca 0.12 1.57 0.01 0.00 0.02 0.00 0.00 55.97 57.69 2j6k s LYS 31 Cb -0.10 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2j6k s LYS 31 CO 0.01 0.28 0.60 -0.51 -0.92 0.00 0.00 175.35 174.81 2j6k s LEU 32 N -0.66 3.84 0.16 3.17 1.43 -1.11 -4.91 118.68 120.60 2j6k s LEU 32 Ca 0.45 0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.72 2j6k s LEU 32 Cb -0.27 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.82 2j6k s LEU 32 CO 0.33 -0.49 1.76 1.56 0.23 0.00 0.00 176.35 179.74 2j6k h GLN 33 N 0.60 0.74 -6.52 1.70 4.20 -1.97 -3.42 115.11 110.45 2j6k h GLN 33 Ca -0.48 -0.09 -0.58 0.00 0.06 0.00 0.00 58.65 57.56 2j6k h GLN 33 Cb 1.24 -0.14 0.06 0.00 0.30 0.00 0.00 27.48 28.94 2j6k h GLN 33 CO 0.59 0.59 0.80 -1.91 -0.67 0.00 0.00 178.83 178.22 2j6k n GLU 34 N -4.62 2.18 -2.27 1.46 2.13 -1.26 -4.92 120.64 113.34 2j6k n GLU 34 Ca 0.03 0.79 -0.42 0.00 0.66 0.00 0.00 57.16 58.21 2j6k n GLU 34 Cb 0.10 -2.55 -0.03 0.00 0.27 0.00 0.00 31.44 29.22 2j6k n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2j6k s GLU 35 N 0.85 4.39 0.00 5.31 -6.30 -1.26 -3.26 118.70 118.43 2j6k s GLU 35 Ca 0.78 1.97 0.00 0.00 -2.50 0.00 0.00 54.97 55.22 2j6k s GLU 35 Cb -0.67 -3.25 0.00 0.00 0.00 0.00 0.00 34.13 30.21 2j6k s GLU 35 CO 0.38 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2j6k n GLY 36 N 2.91 0.47 3.20 -1.50 0.00 -1.26 -5.02 105.19 103.99 2j6k n GLY 36 Ca 0.08 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 2j6k n GLY 36 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2j6k s TRP 37 N -2.00 1.93 0.25 1.61 0.52 -1.20 -1.29 118.94 118.75 2j6k s TRP 37 Ca 0.00 -0.49 0.11 0.00 0.02 0.00 0.00 56.10 55.74 2j6k s TRP 37 Cb 0.00 -1.27 -0.05 0.00 -1.15 0.00 0.00 33.47 31.01 2j6k s TRP 37 CO 0.00 -0.12 -0.19 -0.51 0.02 0.00 0.00 176.95 176.15 2j6k s LEU 38 N -0.21 2.56 -0.03 2.99 1.43 0.59 -2.77 118.68 123.24 2j6k s LEU 38 Ca 0.01 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.17 2j6k s LEU 38 Cb -0.11 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2j6k s LEU 38 CO 0.01 -0.01 -0.22 -0.70 0.23 0.00 0.00 176.35 175.66 2j6k s GLU 39 N -3.42 1.99 0.34 1.70 2.12 -0.63 -1.32 118.70 119.49 2j6k s GLU 39 Ca 0.26 -0.81 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 2j6k s GLU 39 Cb -0.04 -1.83 0.05 0.00 0.26 0.00 0.00 34.13 32.56 2j6k s GLU 39 CO 0.12 0.43 0.67 0.41 -0.54 0.00 0.00 175.26 176.35 2j6k n GLY 40 N 2.70 1.18 3.54 -1.50 0.00 -0.81 0.29 105.19 110.59 2j6k n GLY 40 Ca -0.16 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 2j6k n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j6k s GLU 41 N -2.12 3.47 -0.04 1.61 2.12 0.71 -1.89 118.70 122.56 2j6k s GLU 41 Ca 0.14 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 2j6k s GLU 41 Cb -0.04 -2.87 0.03 0.00 0.26 0.00 0.00 34.13 31.51 2j6k s GLU 41 CO 0.11 0.37 0.08 -1.17 -0.54 0.00 0.00 175.26 174.10 2j6k s LEU 42 N 0.03 0.56 -1.44 2.70 2.96 0.09 -0.42 118.68 123.16 2j6k s LEU 42 Ca 0.01 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 2j6k s LEU 42 Cb -0.13 0.02 0.05 0.00 0.50 0.00 0.00 46.19 46.63 2j6k s LEU 42 CO 0.02 -0.19 0.81 0.59 -1.32 0.00 0.00 176.35 176.27 2j6k n ASN 43 N 4.70 -2.90 0.00 3.68 5.03 -1.26 -1.86 115.26 122.66 2j6k n ASN 43 Ca -0.17 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.46 2j6k n ASN 43 Cb 0.50 -3.82 0.00 0.00 -1.02 0.00 0.00 39.78 35.44 2j6k n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j6k n GLY 44 N -1.67 0.40 3.24 7.41 0.00 -1.26 -5.01 105.19 108.31 2j6k n GLY 44 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 2j6k n GLY 44 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2j6k s ARG 45 N -0.64 1.02 0.04 1.61 1.70 -0.78 -5.14 118.95 116.77 2j6k s ARG 45 Ca 0.00 -1.22 0.02 0.00 -0.47 0.00 0.00 55.73 54.06 2j6k s ARG 45 Cb 0.00 -0.94 -0.04 0.00 -0.57 0.00 0.00 34.95 33.40 2j6k s ARG 45 CO 0.00 0.18 0.02 1.03 -1.08 0.00 0.00 175.30 175.46 2j6k s ARG 46 N -2.58 2.78 0.12 3.89 0.52 -1.26 -0.73 118.95 121.69 2j6k s ARG 46 Ca 0.08 -0.67 -0.25 0.00 -0.52 0.00 0.00 55.73 54.38 2j6k s ARG 46 Cb -0.05 -2.67 0.08 0.00 0.52 0.00 0.00 34.95 32.83 2j6k s ARG 46 CO 0.03 0.60 1.10 0.20 0.02 0.00 0.00 175.30 177.25 2j6k s GLY 47 N -1.91 -0.06 0.55 -3.53 0.00 -0.79 -4.91 107.32 96.66 2j6k s GLY 47 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 2j6k s GLY 47 CO 0.15 2.25 0.87 1.06 0.00 0.00 0.00 173.10 177.43 2j6k s MET 48 N -2.37 3.35 -0.09 2.90 -1.94 -0.06 -1.92 119.30 119.16 2j6k s MET 48 Ca 0.20 0.25 -0.30 0.00 -1.71 0.00 0.00 55.69 54.13 2j6k s MET 48 Cb -0.01 -2.28 0.12 0.00 2.01 0.00 0.00 34.83 34.67 2j6k s MET 48 CO 0.02 -0.44 0.98 -0.59 -0.01 0.00 0.00 175.02 174.99 2j6k s PHE 49 N -2.91 -0.31 0.26 -0.03 -0.12 -0.43 0.30 117.98 114.73 2j6k s PHE 49 Ca 0.51 0.30 -0.26 0.00 -0.05 0.00 0.00 56.93 57.43 2j6k s PHE 49 Cb -0.10 0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 42.70 2j6k s PHE 49 CO 0.47 -0.42 0.87 -2.14 -0.05 0.00 0.00 175.22 173.95 2j6k s PRO 50 N -2.42 4.59 0.59 1.99 0.02 -1.26 -0.30 135.00 138.21 2j6k s PRO 50 Ca 0.04 1.26 0.36 0.00 0.02 0.00 0.00 61.00 62.68 2j6k s PRO 50 Cb -0.01 -3.02 1.78 0.00 0.02 0.00 0.00 34.50 33.27 2j6k s PRO 50 CO -0.05 0.42 2.15 0.38 -0.33 0.00 0.00 177.00 179.56 2j6k h ASP 51 N 3.68 0.00 -0.01 2.53 3.04 -1.53 -2.48 116.42 121.65 2j6k h ASP 51 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2j6k h ASP 51 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2j6k h ASP 51 CO 0.66 0.03 0.00 -0.46 -2.04 0.00 0.00 179.24 177.43 2j6k n ASN 52 N -3.23 0.18 -0.49 4.15 6.94 -1.26 -3.00 115.26 118.54 2j6k n ASN 52 Ca -0.01 -1.34 0.11 0.00 -0.02 0.00 0.00 54.58 53.31 2j6k n ASN 52 Cb 0.20 -0.01 -0.00 0.00 -2.36 0.00 0.00 39.78 37.61 2j6k n ASN 52 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2j6k n PHE 53 N -0.72 0.00 -4.24 -2.53 3.01 -0.93 -4.89 117.46 107.16 2j6k n PHE 53 Ca 0.17 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.49 2j6k n PHE 53 Cb 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.47 2j6k n PHE 53 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2j6k s VAL 54 N -2.43 0.29 -0.06 -4.37 -7.23 -1.16 -0.39 120.40 105.05 2j6k s VAL 54 Ca 0.18 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2j6k s VAL 54 Cb 0.18 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2j6k s VAL 54 CO 0.56 -0.12 0.14 -0.75 -0.31 0.00 0.00 175.10 174.61 2j6k s LYS 55 N -4.07 0.10 0.25 4.82 2.20 0.11 -4.85 119.74 118.31 2j6k s LYS 55 Ca 0.35 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.99 2j6k s LYS 55 Cb 0.07 -0.14 -0.10 0.00 -1.51 0.00 0.00 37.83 36.15 2j6k s LYS 55 CO 0.10 -0.14 1.42 -2.00 -0.36 0.00 0.00 175.35 174.37 2j6k s GLU 56 N 1.00 4.28 -0.25 4.03 2.12 -1.26 -0.80 118.70 127.81 2j6k s GLU 56 Ca -0.08 2.28 -0.21 0.00 0.36 0.00 0.00 54.97 57.32 2j6k s GLU 56 Cb -0.10 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 2j6k s GLU 56 CO -0.05 -0.38 0.66 0.42 -0.54 0.00 0.00 175.26 175.36 2j6k s ILE 57 N -0.13 4.96 0.00 -3.70 1.01 -0.31 -4.86 121.20 118.18 2j6k s ILE 57 Ca 0.58 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2j6k s ILE 57 Cb -0.41 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2j6k s ILE 57 CO 0.44 0.01 0.42 0.29 0.00 0.00 0.00 174.94 176.10