#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 6.08 0.12 4.52 1.01 -1.26 -1.30 116.67 125.84 2j6k s ASP 3 Ca 0.00 0.20 0.10 0.00 0.71 0.00 0.00 52.55 53.57 2j6k s ASP 3 Cb 0.00 -1.81 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 2j6k s ASP 3 CO 0.00 0.20 -0.26 -0.31 0.21 0.00 0.00 175.17 175.01 2j6k s TYR 4 N -1.40 2.25 -0.11 4.23 2.02 0.12 -0.90 117.35 123.56 2j6k s TYR 4 Ca 0.30 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 2j6k s TYR 4 Cb -0.13 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2j6k s TYR 4 CO 0.23 0.30 0.10 -1.50 -1.57 0.00 0.00 175.55 173.11 2j6k s ILE 5 N -1.04 5.14 -0.14 2.71 2.07 0.12 0.65 121.20 130.72 2j6k s ILE 5 Ca 0.13 0.07 -0.25 0.00 -1.41 0.00 0.00 60.65 59.19 2j6k s ILE 5 Cb -0.10 -3.22 -0.02 0.00 0.13 0.00 0.00 42.46 39.25 2j6k s ILE 5 CO 0.05 0.61 0.80 -0.69 -1.91 0.00 0.00 174.94 173.81 2j6k s VAL 6 N -0.95 4.92 -0.06 4.00 1.01 0.01 -0.62 120.40 128.71 2j6k s VAL 6 Ca 0.14 1.60 0.15 0.00 0.00 0.00 0.00 61.98 63.87 2j6k s VAL 6 Cb -0.12 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.91 2j6k s VAL 6 CO 0.03 0.09 0.35 -0.62 0.00 0.00 0.00 175.10 174.96 2j6k n GLU 7 N 4.82 0.56 -3.78 2.72 1.02 0.37 -1.21 120.64 125.15 2j6k n GLU 7 Ca 0.03 -0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 2j6k n GLU 7 Cb 0.50 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.42 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 -3.02 -0.14 0.20 -0.32 1.51 -0.87 -4.89 117.35 109.82 2j6k s TYR 8 Ca -0.05 0.39 -0.32 0.00 -1.01 0.00 0.00 57.07 56.08 2j6k s TYR 8 Cb 0.10 -0.05 -0.14 0.00 -0.11 0.00 0.00 41.96 41.76 2j6k s TYR 8 CO 0.63 -0.12 1.48 -0.25 -1.11 0.00 0.00 175.55 176.18 2j6k n ASP 9 N 3.76 2.90 -4.04 2.29 8.00 -1.26 -4.65 116.55 123.56 2j6k n ASP 9 Ca -0.21 1.12 -0.20 0.00 0.71 0.00 0.00 54.79 56.20 2j6k n ASP 9 Cb 0.54 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.07 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 0.36 1.00 -0.15 1.24 6.14 -0.70 -5.01 117.35 120.24 2j6k s TYR 10 Ca 0.73 -0.22 -0.03 0.00 0.64 0.00 0.00 57.07 58.19 2j6k s TYR 10 Cb -0.66 -0.67 -0.03 0.00 0.42 0.00 0.00 41.96 41.02 2j6k s TYR 10 CO 0.45 -0.06 -0.05 -0.51 0.64 0.00 0.00 175.55 176.02 2j6k s ASP 11 N -0.07 4.70 0.20 4.32 -0.00 -1.26 -0.88 116.67 123.67 2j6k s ASP 11 Ca 0.01 -0.15 -0.32 0.00 -0.00 0.00 0.00 52.55 52.09 2j6k s ASP 11 Cb -0.06 -1.74 -0.11 0.00 -0.00 0.00 0.00 42.92 41.01 2j6k s ASP 11 CO 0.00 0.18 1.70 0.00 -0.00 0.00 0.00 175.17 177.05 2j6k s ALA 12 N 0.30 3.90 -0.62 5.23 0.00 -1.25 -4.90 121.76 124.42 2j6k s ALA 12 Ca -0.04 1.54 0.22 0.00 0.00 0.00 0.00 51.96 53.68 2j6k s ALA 12 Cb -0.14 -3.69 -0.17 0.00 0.00 0.00 0.00 23.12 19.12 2j6k s ALA 12 CO 0.03 -0.91 0.83 0.28 0.00 0.00 0.00 175.76 175.99 2j6k n VAL 13 N 4.02 0.04 -4.00 0.00 0.31 -1.26 -4.97 118.33 112.47 2j6k n VAL 13 Ca 0.16 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.19 2j6k n VAL 13 Cb 0.36 0.49 -0.08 0.00 -0.91 0.00 0.00 33.84 33.70 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 -3.20 0.49 0.34 3.52 3.76 -1.26 -5.06 115.29 113.89 2j6k s HIS 14 Ca 0.02 -0.88 0.35 0.00 -0.15 0.00 0.00 55.06 54.41 2j6k s HIS 14 Cb 0.15 -0.18 1.68 0.00 1.11 0.00 0.00 32.58 35.34 2j6k s HIS 14 CO 0.86 -0.63 2.11 -0.44 -0.85 0.00 0.00 174.74 175.79 2j6k h ASP 15 N 2.68 0.00 0.15 1.40 3.45 -2.03 -1.23 116.42 120.84 2j6k h ASP 15 Ca -0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.13 2j6k h ASP 15 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 2j6k h ASP 15 CO 0.53 0.04 -0.03 -0.90 -1.57 0.00 0.00 179.24 177.31 2j6k n ASP 16 N -3.23 0.43 -4.91 6.45 3.85 -1.26 -4.83 116.55 113.05 2j6k n ASP 16 Ca -0.01 -0.91 -0.25 0.00 -0.71 0.00 0.00 54.79 52.91 2j6k n ASP 16 Cb 0.23 -0.05 -0.03 0.00 -1.35 0.00 0.00 41.12 39.92 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 -2.18 3.29 -0.07 0.11 2.02 -0.46 -0.59 118.70 120.82 2j6k s GLU 17 Ca 0.39 -0.73 -0.13 0.00 0.02 0.00 0.00 54.97 54.53 2j6k s GLU 17 Cb 0.21 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 2j6k s GLU 17 CO 0.40 0.48 0.32 -0.51 0.02 0.00 0.00 175.26 175.97 2j6k s LEU 18 N -3.42 4.40 -0.09 1.80 1.43 0.12 -4.65 118.68 118.28 2j6k s LEU 18 Ca 0.34 0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 53.94 2j6k s LEU 18 Cb -0.10 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2j6k s LEU 18 CO 0.27 0.29 0.73 -0.89 0.23 0.00 0.00 176.35 176.98 2j6k s THR 19 N -0.71 5.01 0.05 5.49 2.01 -1.26 -3.95 115.64 122.28 2j6k s THR 19 Ca 0.20 1.48 0.03 0.00 0.31 0.00 0.00 61.69 63.71 2j6k s THR 19 Cb -0.15 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2j6k s THR 19 CO 0.09 0.20 -0.10 0.27 -0.69 0.00 0.00 174.62 174.39 2j6k s ILE 20 N 1.10 0.71 -0.02 1.82 -4.36 -0.06 -4.96 121.20 115.44 2j6k s ILE 20 Ca 0.38 -1.14 0.03 0.00 -0.26 0.00 0.00 60.65 59.65 2j6k s ILE 20 Cb -0.18 -0.74 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 2j6k s ILE 20 CO 0.17 -0.33 -0.10 -0.13 0.24 0.00 0.00 174.94 174.78 2j6k s ARG 21 N -1.62 0.93 0.02 0.37 1.81 -1.26 -1.72 118.95 117.48 2j6k s ARG 21 Ca -0.08 -0.37 -0.28 0.00 -1.72 0.00 0.00 55.73 53.29 2j6k s ARG 21 Cb -0.10 -0.88 -0.15 0.00 -0.45 0.00 0.00 34.95 33.37 2j6k s ARG 21 CO 0.01 0.19 0.73 0.28 -0.68 0.00 0.00 175.30 175.83 2j6k n VAL 22 N 2.98 0.24 0.00 3.52 0.31 -1.26 -0.93 118.33 123.19 2j6k n VAL 22 Ca -0.15 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2j6k n VAL 22 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 1.18 2.85 3.77 2.92 0.00 -0.35 -4.98 105.19 110.58 2j6k n GLY 23 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.42 4.17 -0.25 1.61 2.02 -0.11 -4.73 118.70 121.00 2j6k s GLU 24 Ca 0.00 1.83 -0.10 0.00 0.02 0.00 0.00 54.97 56.71 2j6k s GLU 24 Cb 0.00 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 2j6k s GLU 24 CO 0.00 -0.21 0.16 0.42 0.02 0.00 0.00 175.26 175.65 2j6k s ILE 25 N -1.38 5.30 -0.22 -1.63 1.01 -1.26 -0.81 121.20 122.21 2j6k s ILE 25 Ca 0.55 0.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.20 2j6k s ILE 25 Cb -0.31 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2j6k s ILE 25 CO 0.39 0.32 0.39 -0.63 0.00 0.00 0.00 174.94 175.41 2j6k s ILE 26 N 1.25 5.19 0.05 2.92 1.01 0.21 -4.85 121.20 126.99 2j6k s ILE 26 Ca 0.07 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2j6k s ILE 26 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2j6k s ILE 26 CO 0.06 0.23 0.18 0.00 0.00 0.00 0.00 174.94 175.41 2j6k s ARG 27 N 1.50 3.32 -1.16 2.79 1.70 0.12 -0.71 118.95 126.52 2j6k s ARG 27 Ca 0.18 -0.47 -0.07 0.00 -0.47 0.00 0.00 55.73 54.89 2j6k s ARG 27 Cb -0.15 -2.98 -0.03 0.00 -0.57 0.00 0.00 34.95 31.22 2j6k s ARG 27 CO 0.08 0.61 0.84 -1.71 -1.08 0.00 0.00 175.30 174.04 2j6k n ASN 28 N 0.45 -4.19 -4.71 -2.89 4.05 -1.20 -0.24 115.26 106.53 2j6k n ASN 28 Ca -0.07 -0.80 -0.42 0.00 0.45 0.00 0.00 54.58 53.74 2j6k n ASN 28 Cb 0.51 -4.44 -0.03 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 -3.48 4.80 0.02 3.44 1.01 -0.42 -4.44 120.40 121.32 2j6k s VAL 29 Ca 0.28 2.01 0.07 0.00 0.00 0.00 0.00 61.98 64.33 2j6k s VAL 29 Cb -0.06 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2j6k s VAL 29 CO 0.79 0.15 -0.20 -0.54 0.00 0.00 0.00 175.10 175.30 2j6k s LYS 30 N 1.05 2.10 0.26 2.72 1.02 0.16 -4.58 119.74 122.48 2j6k s LYS 30 Ca 0.52 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 2j6k s LYS 30 Cb -0.22 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 2j6k s LYS 30 CO 0.28 0.55 1.05 0.15 -0.92 0.00 0.00 175.35 176.45 2j6k s LYS 31 N -1.19 4.71 0.24 1.68 1.02 -1.26 -1.69 119.74 123.25 2j6k s LYS 31 Ca 0.13 1.70 0.05 0.00 0.02 0.00 0.00 55.97 57.87 2j6k s LYS 31 Cb -0.10 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 2j6k s LYS 31 CO 0.03 0.32 0.35 -0.51 -0.92 0.00 0.00 175.35 174.62 2j6k s LEU 32 N -1.34 4.29 0.20 3.17 1.02 -1.16 -4.91 118.68 119.95 2j6k s LEU 32 Ca 0.43 0.06 -0.11 0.00 0.02 0.00 0.00 54.13 54.53 2j6k s LEU 32 Cb -0.30 -2.83 0.13 0.00 0.02 0.00 0.00 46.19 43.21 2j6k s LEU 32 CO 0.38 -0.07 1.83 1.56 0.02 0.00 0.00 176.35 180.07 2j6k h GLN 33 N 1.21 0.96 -6.30 1.70 4.20 -1.97 -3.42 115.11 111.50 2j6k h GLN 33 Ca -0.52 -0.10 -0.67 0.00 0.06 0.00 0.00 58.65 57.43 2j6k h GLN 33 Cb 1.23 -0.20 0.05 0.00 0.30 0.00 0.00 27.48 28.86 2j6k h GLN 33 CO 0.61 0.70 0.55 -1.91 -0.67 0.00 0.00 178.83 178.11 2j6k n GLU 34 N -4.52 1.34 -2.42 1.46 2.13 -1.26 -4.91 120.64 112.46 2j6k n GLU 34 Ca 0.06 0.48 -0.42 0.00 0.66 0.00 0.00 57.16 57.95 2j6k n GLU 34 Cb 0.07 -2.15 -0.03 0.00 0.27 0.00 0.00 31.44 29.59 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 0.82 4.46 -0.00 5.31 -6.30 -1.26 -3.54 118.70 118.19 2j6k s GLU 35 Ca 0.85 1.80 0.00 0.00 -2.50 0.00 0.00 54.97 55.11 2j6k s GLU 35 Cb -0.91 -3.31 0.00 0.00 0.00 0.00 0.00 34.13 29.91 2j6k s GLU 35 CO 0.47 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2j6k n GLY 36 N 2.83 0.49 3.20 -1.50 0.00 -1.26 -5.03 105.19 103.92 2j6k n GLY 36 Ca 0.07 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.99 1.68 0.22 1.61 0.52 -1.23 -0.43 118.94 119.32 2j6k s TRP 37 Ca 0.00 -0.34 0.10 0.00 0.02 0.00 0.00 56.10 55.88 2j6k s TRP 37 Cb 0.00 -1.04 -0.05 0.00 -1.15 0.00 0.00 33.47 31.23 2j6k s TRP 37 CO 0.00 0.02 -0.19 -0.51 0.02 0.00 0.00 176.95 176.29 2j6k s LEU 38 N -0.76 2.53 -0.03 2.99 1.43 0.46 -2.99 118.68 122.31 2j6k s LEU 38 Ca 0.07 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2j6k s LEU 38 Cb -0.08 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2j6k s LEU 38 CO 0.00 -0.02 -0.22 -0.70 0.23 0.00 0.00 176.35 175.64 2j6k s GLU 39 N -3.28 1.94 0.20 1.70 2.12 -0.68 -1.37 118.70 119.33 2j6k s GLU 39 Ca 0.24 -0.79 -0.13 0.00 0.36 0.00 0.00 54.97 54.65 2j6k s GLU 39 Cb -0.04 -1.79 0.05 0.00 0.26 0.00 0.00 34.13 32.60 2j6k s GLU 39 CO 0.10 0.42 0.67 0.41 -0.54 0.00 0.00 175.26 176.33 2j6k n GLY 40 N 2.70 1.00 3.35 -1.50 0.00 -0.80 0.39 105.19 110.34 2j6k n GLY 40 Ca -0.16 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.05 3.37 -0.04 1.61 2.12 0.67 -1.33 118.70 123.05 2j6k s GLU 41 Ca 0.14 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.78 2j6k s GLU 41 Cb -0.03 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.67 2j6k s GLU 41 CO 0.06 0.10 0.07 -1.17 -0.54 0.00 0.00 175.26 173.78 2j6k s LEU 42 N 0.66 0.39 -1.32 2.70 2.96 0.34 -0.70 118.68 123.71 2j6k s LEU 42 Ca -0.06 0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 2j6k s LEU 42 Cb -0.15 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.52 2j6k s LEU 42 CO 0.02 -0.21 0.53 -3.20 -1.32 0.00 0.00 176.35 172.17 2j6k n ASN 43 N 4.93 -1.90 0.00 3.68 4.05 -1.26 -1.93 115.26 122.83 2j6k n ASN 43 Ca -0.12 -1.03 0.00 0.00 0.45 0.00 0.00 54.58 53.88 2j6k n ASN 43 Cb 0.50 -3.04 0.00 0.00 1.23 0.00 0.00 39.78 38.47 2j6k n ASN 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2j6k n GLY 44 N -1.92 0.30 3.29 8.20 0.00 -1.26 -4.99 105.19 108.80 2j6k n GLY 44 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2j6k n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j6k s ARG 45 N -0.85 2.37 -0.01 1.61 3.52 -0.82 -5.14 118.95 119.64 2j6k s ARG 45 Ca 0.00 -0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 54.64 2j6k s ARG 45 Cb 0.00 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 2j6k s ARG 45 CO 0.00 0.45 0.21 1.03 -0.81 0.00 0.00 175.30 176.19 2j6k s ARG 46 N -0.35 3.50 0.10 5.12 0.52 -1.26 -0.50 118.95 126.08 2j6k s ARG 46 Ca 0.02 -0.20 -0.26 0.00 -0.52 0.00 0.00 55.73 54.77 2j6k s ARG 46 Cb -0.12 -3.10 0.09 0.00 0.52 0.00 0.00 34.95 32.34 2j6k s ARG 46 CO 0.02 0.67 1.12 0.20 0.02 0.00 0.00 175.30 177.33 2j6k s GLY 47 N -1.77 -0.11 0.40 -3.53 0.00 -0.44 -4.90 107.32 96.96 2j6k s GLY 47 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.01 2j6k s GLY 47 CO 0.16 1.99 0.62 1.06 0.00 0.00 0.00 173.10 176.94 2j6k s MET 48 N -2.44 3.41 -0.19 2.90 -1.94 0.24 -1.90 119.30 119.38 2j6k s MET 48 Ca 0.20 -0.25 -0.31 0.00 -1.71 0.00 0.00 55.69 53.61 2j6k s MET 48 Cb -0.00 -2.58 0.15 0.00 2.01 0.00 0.00 34.83 34.40 2j6k s MET 48 CO 0.02 -0.01 1.14 -0.59 -0.01 0.00 0.00 175.02 175.56 2j6k s PHE 49 N -2.46 -0.22 0.27 -0.03 -0.12 -0.47 0.13 117.98 115.08 2j6k s PHE 49 Ca 0.43 0.31 -0.29 0.00 -0.05 0.00 0.00 56.93 57.33 2j6k s PHE 49 Cb -0.10 0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 42.68 2j6k s PHE 49 CO 0.38 -0.24 1.02 -1.25 -0.05 0.00 0.00 175.22 175.09 2j6k s PRO 50 N -1.51 4.71 0.54 1.99 0.04 -1.26 -0.40 135.00 139.10 2j6k s PRO 50 Ca 0.04 1.64 0.25 0.00 0.04 0.00 0.00 61.00 62.97 2j6k s PRO 50 Cb -0.01 -3.18 1.51 0.00 0.04 0.00 0.00 34.50 32.86 2j6k s PRO 50 CO -0.03 0.33 2.15 0.22 0.04 0.00 0.00 177.00 179.70 2j6k h ASP 51 N 3.87 0.00 0.29 6.66 3.58 -1.07 -2.64 116.42 127.10 2j6k h ASP 51 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2j6k h ASP 51 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2j6k h ASP 51 CO 0.67 0.07 0.00 0.59 -2.88 0.00 0.00 179.24 177.69 2j6k n ASN 52 N -3.96 0.00 -0.63 2.28 3.02 -1.26 -2.64 115.26 112.07 2j6k n ASN 52 Ca -0.03 0.35 0.08 0.00 -0.03 0.00 0.00 54.58 54.96 2j6k n ASN 52 Cb 0.15 -0.41 0.06 0.00 -0.61 0.00 0.00 39.78 38.97 2j6k n ASN 52 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2j6k n PHE 53 N -1.41 0.00 -4.29 3.10 3.01 -1.00 -4.90 117.46 111.98 2j6k n PHE 53 Ca 0.03 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.34 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 -1.48 0.43 -0.07 -4.37 -7.23 -1.08 -0.48 120.40 106.13 2j6k s VAL 54 Ca 0.19 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 2j6k s VAL 54 Cb 0.14 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2j6k s VAL 54 CO 0.24 -0.01 0.17 -0.75 -0.31 0.00 0.00 175.10 174.43 2j6k s LYS 55 N -4.06 0.15 0.18 4.82 2.20 0.21 -4.83 119.74 118.41 2j6k s LYS 55 Ca 0.38 0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 56.01 2j6k s LYS 55 Cb 0.08 -0.05 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 2j6k s LYS 55 CO 0.13 -0.10 1.47 -2.00 -0.36 0.00 0.00 175.35 174.49 2j6k s GLU 56 N 0.71 4.27 -0.28 4.03 2.12 -1.26 -0.70 118.70 127.58 2j6k s GLU 56 Ca -0.05 2.26 -0.26 0.00 0.36 0.00 0.00 54.97 57.27 2j6k s GLU 56 Cb -0.07 -3.17 0.01 0.00 0.26 0.00 0.00 34.13 31.16 2j6k s GLU 56 CO -0.04 -0.49 0.93 0.42 -0.54 0.00 0.00 175.26 175.54 2j6k s ILE 57 N 0.75 4.70 0.00 -3.70 1.01 -0.07 -4.87 121.20 119.01 2j6k s ILE 57 Ca 0.65 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.89 2j6k s ILE 57 Cb -0.41 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 37.81 2j6k s ILE 57 CO 0.35 -0.27 0.43 0.29 0.00 0.00 0.00 174.94 175.74