#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k52 s ASP 2 N 0.00 3.11 -0.13 6.12 2.15 -1.26 -4.78 116.67 121.87 2k52 s ASP 2 Ca 0.00 -0.72 -0.03 0.00 0.43 0.00 0.00 52.55 52.22 2k52 s ASP 2 Cb 0.00 -0.20 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 2k52 s ASP 2 CO 0.00 0.15 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.45 2k52 s VAL 3 N -1.07 4.18 0.29 1.11 1.01 -1.26 -5.12 120.40 119.54 2k52 s VAL 3 Ca 0.12 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2k52 s VAL 3 Cb -0.10 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2k52 s VAL 3 CO 0.05 0.53 0.26 -1.61 0.00 0.00 0.00 175.10 174.34 2k52 s GLU 4 N -0.14 2.91 0.28 2.72 2.02 -1.26 -4.91 118.70 120.31 2k52 s GLU 4 Ca 0.04 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 53.62 2k52 s GLU 4 Cb -0.13 -2.58 -0.10 0.00 0.10 0.00 0.00 34.13 31.42 2k52 s GLU 4 CO 0.02 0.27 1.47 -1.25 0.02 0.00 0.00 175.26 175.79 2k52 s PRO 5 N -3.93 4.23 0.00 0.39 0.04 -1.26 -2.81 135.00 131.65 2k52 s PRO 5 Ca 0.37 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2k52 s PRO 5 Cb -0.07 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2k52 s PRO 5 CO 0.26 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.26 2k52 n GLY 6 N 1.89 0.88 3.82 0.56 0.00 0.17 -5.00 105.19 107.50 2k52 n GLY 6 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2k52 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k52 s LYS 7 N -0.66 3.99 -0.24 1.61 -0.14 -1.12 -4.81 119.74 118.36 2k52 s LYS 7 Ca 0.00 1.16 -0.07 0.00 -1.36 0.00 0.00 55.97 55.70 2k52 s LYS 7 Cb 0.00 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 2k52 s LYS 7 CO 0.00 -0.25 0.07 -0.06 -0.76 0.00 0.00 175.35 174.35 2k52 s PHE 8 N -2.23 3.09 -0.03 3.18 0.40 -1.26 -1.03 117.98 120.10 2k52 s PHE 8 Ca 0.63 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.46 2k52 s PHE 8 Cb -0.12 -2.22 0.02 0.00 0.51 0.00 0.00 43.02 41.21 2k52 s PHE 8 CO 0.20 -0.32 0.25 0.71 0.70 0.00 0.00 175.22 176.76 2k52 s TYR 9 N 1.50 -0.13 -0.20 0.36 2.02 -0.70 -5.03 117.35 115.16 2k52 s TYR 9 Ca 0.06 0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 56.83 2k52 s TYR 9 Cb -0.15 0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 2k52 s TYR 9 CO 0.03 -0.31 0.39 0.21 -1.57 0.00 0.00 175.55 174.31 2k52 s LYS 10 N -1.05 4.18 0.46 -0.62 2.20 -1.26 -0.97 119.74 122.67 2k52 s LYS 10 Ca -0.11 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2k52 s LYS 10 Cb -0.05 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2k52 s LYS 10 CO 0.03 -0.03 0.03 0.20 -0.36 0.00 0.00 175.35 175.22 2k52 s GLY 11 N 1.02 2.79 -0.10 5.54 0.00 0.30 -4.81 107.32 112.06 2k52 s GLY 11 Ca 0.19 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 2k52 s GLY 11 CO 0.08 -2.09 -0.08 0.54 0.00 0.00 0.00 173.10 171.55 2k52 s VAL 12 N -2.92 3.57 -0.17 1.40 0.11 -0.65 -0.18 120.40 121.55 2k52 s VAL 12 Ca 0.17 -0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 2k52 s VAL 12 Cb 0.04 -2.49 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2k52 s VAL 12 CO 0.09 0.56 1.30 -0.69 -3.33 0.00 0.00 175.10 173.03 2k52 s VAL 13 N -0.29 4.20 -0.16 2.04 1.01 0.03 -1.67 120.40 125.56 2k52 s VAL 13 Ca 0.04 1.44 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 2k52 s VAL 13 Cb -0.13 -3.97 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 2k52 s VAL 13 CO 0.02 -0.17 0.18 0.35 0.00 0.00 0.00 175.10 175.49 2k52 n THR 14 N 5.49 1.68 -3.63 3.92 -2.24 -0.49 -0.55 114.28 118.46 2k52 n THR 14 Ca 0.14 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 2k52 n THR 14 Cb 0.45 -1.58 -0.07 0.00 -2.10 0.00 0.00 70.33 67.03 2k52 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k52 s ARG 15 N -2.55 0.83 -0.27 -0.78 1.70 -1.24 -4.78 118.95 111.86 2k52 s ARG 15 Ca -0.25 0.39 -0.13 0.00 -0.47 0.00 0.00 55.73 55.26 2k52 s ARG 15 Cb 0.07 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2k52 s ARG 15 CO 0.72 -0.20 0.29 0.42 -1.08 0.00 0.00 175.30 175.45 2k52 s ILE 16 N -0.61 5.24 0.31 4.99 -1.09 -1.26 -1.77 121.20 127.00 2k52 s ILE 16 Ca -0.07 0.40 0.06 0.00 -2.23 0.00 0.00 60.65 58.81 2k52 s ILE 16 Cb -0.03 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2k52 s ILE 16 CO 0.05 0.20 0.43 -1.61 -1.23 0.00 0.00 174.94 172.79 2k52 s GLU 17 N 1.89 3.17 0.50 2.79 0.41 0.19 -4.98 118.70 122.66 2k52 s GLU 17 Ca 0.12 -0.97 0.33 0.00 -0.41 0.00 0.00 54.97 54.03 2k52 s GLU 17 Cb -0.16 -2.82 1.43 0.00 -1.78 0.00 0.00 34.13 30.81 2k52 s GLU 17 CO 0.10 0.15 1.97 0.87 -0.49 0.00 0.00 175.26 177.86 2k52 h LYS 18 N 0.98 0.00 -0.18 1.61 1.57 -2.02 -2.99 116.57 115.53 2k52 h LYS 18 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2k52 h LYS 18 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2k52 h LYS 18 CO 0.55 0.00 0.00 2.48 -0.57 0.00 0.00 179.45 181.91 2k52 n TYR 19 N -2.89 0.33 -0.25 -1.35 4.11 -1.26 -5.08 117.16 110.77 2k52 n TYR 19 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 57.90 57.28 2k52 n TYR 19 Cb 0.25 -0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.49 2k52 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k52 n GLY 20 N -0.22 0.30 3.07 -7.48 0.00 -1.13 -4.48 105.19 95.25 2k52 n GLY 20 Ca 0.10 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2k52 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k52 s ALA 21 N -1.00 -0.49 -0.14 4.61 0.00 0.12 0.53 121.76 125.39 2k52 s ALA 21 Ca 0.00 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 2k52 s ALA 21 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2k52 s ALA 21 CO 0.00 -0.11 0.87 -0.06 0.00 0.00 0.00 175.76 176.46 2k52 s PHE 22 N 0.25 3.47 -0.08 0.00 0.08 -0.73 -0.55 117.98 120.41 2k52 s PHE 22 Ca -0.01 1.35 0.05 0.00 0.12 0.00 0.00 56.93 58.44 2k52 s PHE 22 Cb -0.03 -3.04 -0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2k52 s PHE 22 CO -0.01 -0.20 -0.23 0.42 -0.10 0.00 0.00 175.22 175.11 2k52 s ILE 23 N 1.94 1.94 -0.25 0.64 1.01 -0.53 -1.40 121.20 124.56 2k52 s ILE 23 Ca 0.41 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 2k52 s ILE 23 Cb -0.17 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2k52 s ILE 23 CO 0.15 0.54 0.12 0.20 0.00 0.00 0.00 174.94 175.95 2k52 s ASN 24 N 0.17 5.63 0.17 3.58 0.01 -0.67 -1.42 114.94 122.41 2k52 s ASN 24 Ca -0.12 -0.06 0.15 0.00 -0.71 0.00 0.00 52.86 52.11 2k52 s ASN 24 Cb -0.16 -2.02 -0.06 0.00 0.41 0.00 0.00 41.25 39.43 2k52 s ASN 24 CO 0.06 -0.00 1.16 -0.07 -1.51 0.00 0.00 177.10 176.74 2k52 h LEU 25 N 7.99 0.00 -7.33 0.60 3.38 -1.65 -1.74 115.31 116.56 2k52 h LEU 25 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2k52 h LEU 25 Cb 1.18 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 2k52 h LEU 25 CO 0.59 0.61 0.19 0.21 0.09 0.00 0.00 178.44 180.13 2k52 s ASN 26 N -6.21 -0.45 0.57 -0.43 2.47 -1.18 -4.86 114.94 104.84 2k52 s ASN 26 Ca 0.01 -0.21 0.31 0.00 0.42 0.00 0.00 52.86 53.38 2k52 s ASN 26 Cb 0.08 0.63 1.44 0.00 -1.45 0.00 0.00 41.25 41.95 2k52 s ASN 26 CO 0.78 -1.08 1.82 -0.08 -3.72 0.00 0.00 177.10 174.83 2k52 h GLU 27 N 2.03 0.00 -0.23 0.43 4.81 -1.93 0.35 114.58 120.04 2k52 h GLU 27 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2k52 h GLU 27 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2k52 h GLU 27 CO 0.34 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.66 2k52 n GLN 28 N -3.88 2.67 -3.95 1.92 1.13 -1.26 -4.97 117.38 109.04 2k52 n GLN 28 Ca 0.15 -1.81 -0.30 0.00 -1.94 0.00 0.00 57.00 53.11 2k52 n GLN 28 Cb 0.92 -1.19 -0.16 0.00 0.11 0.00 0.00 30.24 29.93 2k52 n GLN 28 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2k52 s VAL 29 N -0.97 1.43 -0.01 5.09 1.01 0.11 -5.03 120.40 122.03 2k52 s VAL 29 Ca 0.16 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2k52 s VAL 29 Cb 0.08 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2k52 s VAL 29 CO 0.11 0.10 -0.13 -0.60 0.00 0.00 0.00 175.10 174.57 2k52 s ARG 30 N 1.48 1.07 0.27 2.72 3.52 -1.26 -1.73 118.95 125.01 2k52 s ARG 30 Ca -0.02 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 2k52 s ARG 30 Cb -0.16 -1.03 0.02 0.00 -1.56 0.00 0.00 34.95 32.21 2k52 s ARG 30 CO -0.08 0.28 0.41 0.41 -0.81 0.00 0.00 175.30 175.52 2k52 n GLY 31 N 2.77 2.09 3.11 8.12 0.00 -0.51 -2.45 105.19 118.31 2k52 n GLY 31 Ca -0.14 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 2k52 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k52 s LEU 32 N 0.00 1.85 -0.24 0.99 2.96 0.48 -1.45 118.68 123.25 2k52 s LEU 32 Ca 0.19 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 2k52 s LEU 32 Cb -0.01 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 2k52 s LEU 32 CO 0.14 0.07 0.12 -0.22 -1.32 0.00 0.00 176.35 175.13 2k52 s LEU 33 N 0.70 3.79 -0.08 -0.68 2.96 0.28 -1.50 118.68 124.15 2k52 s LEU 33 Ca -0.12 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2k52 s LEU 33 Cb -0.16 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2k52 s LEU 33 CO 0.03 0.02 0.11 -0.13 -1.32 0.00 0.00 176.35 175.05 2k52 s ARG 34 N 1.33 3.30 0.52 1.98 0.52 -1.26 -0.70 118.95 124.64 2k52 s ARG 34 Ca 0.06 -0.26 0.35 0.00 -0.52 0.00 0.00 55.73 55.36 2k52 s ARG 34 Cb -0.15 -3.06 1.86 0.00 0.52 0.00 0.00 34.95 34.13 2k52 s ARG 34 CO 0.05 0.73 2.06 -1.00 0.02 0.00 0.00 175.30 177.17 2k52 h PRO 35 N 4.75 0.00 0.00 3.54 0.13 -1.95 -0.25 132.00 138.22 2k52 h PRO 35 Ca -0.53 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.46 2k52 h PRO 35 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2k52 h PRO 35 CO 0.59 0.00 -0.71 0.00 -0.23 0.00 0.00 178.00 177.66 2k52 h ARG 36 N 0.00 0.00 -0.55 0.86 3.08 -1.94 -3.18 114.38 112.65 2k52 h ARG 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k52 h ARG 36 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2k52 h ARG 36 CO 0.00 0.71 0.00 -0.25 -1.07 0.00 0.00 179.97 179.36 2k52 n ASP 37 N -3.52 2.97 -4.71 7.04 9.92 -0.11 -4.90 116.55 123.24 2k52 n ASP 37 Ca -0.00 -2.04 -0.38 0.00 -0.53 0.00 0.00 54.79 51.84 2k52 n ASP 37 Cb 0.73 -0.38 -0.06 0.00 -0.64 0.00 0.00 41.12 40.78 2k52 n ASP 37 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2k52 s MET 38 N -1.34 4.31 -0.16 -1.24 -1.94 -1.20 -0.91 119.30 116.82 2k52 s MET 38 Ca 0.36 0.40 -0.14 0.00 -1.71 0.00 0.00 55.69 54.61 2k52 s MET 38 Cb 0.19 -3.46 -0.23 0.00 2.01 0.00 0.00 34.83 33.35 2k52 s MET 38 CO 0.24 0.11 0.30 0.82 -0.01 0.00 0.00 175.02 176.48 2k52 h ILE 39 N 4.79 0.77 0.00 2.53 1.08 -1.91 -3.44 117.51 121.33 2k52 h ILE 39 Ca -0.40 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 61.80 2k52 h ILE 39 Cb 1.17 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 2k52 h ILE 39 CO 0.75 0.62 0.00 -0.24 -0.69 0.00 0.00 178.15 178.60 2k52 n SER 40 N -3.93 0.20 -3.90 1.72 2.88 -1.26 -5.05 113.62 104.28 2k52 n SER 40 Ca -0.32 -1.09 -0.26 0.00 -1.33 0.00 0.00 58.87 55.86 2k52 n SER 40 Cb 0.88 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.17 2k52 n SER 40 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2k52 s LEU 41 N -0.09 1.16 0.23 2.46 1.43 -1.26 -5.14 118.68 117.47 2k52 s LEU 41 Ca 0.00 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2k52 s LEU 41 Cb 0.00 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 2k52 s LEU 41 CO 0.00 -0.12 0.58 -0.13 0.23 0.00 0.00 176.35 176.91 2k52 s ARG 42 N 1.69 3.86 0.48 1.70 1.81 -1.26 -4.81 118.95 122.41 2k52 s ARG 42 Ca 0.04 0.37 0.22 0.00 -1.72 0.00 0.00 55.73 54.64 2k52 s ARG 42 Cb -0.13 -2.66 1.24 0.00 -0.45 0.00 0.00 34.95 32.95 2k52 s ARG 42 CO -0.08 0.32 1.92 -0.07 -0.68 0.00 0.00 175.30 176.72 2k52 h LEU 43 N 2.67 0.20 -1.66 2.53 3.38 -1.96 0.12 115.31 120.60 2k52 h LEU 43 Ca -0.47 0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.61 2k52 h LEU 43 Cb 1.17 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2k52 h LEU 43 CO 0.68 0.10 0.39 -0.33 0.09 0.00 0.00 178.44 179.37 2k52 h GLU 44 N 0.21 0.38 -0.02 1.13 5.08 -2.00 -1.94 114.58 117.43 2k52 h GLU 44 Ca 0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2k52 h GLU 44 Cb 1.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2k52 h GLU 44 CO -0.07 0.25 -0.09 0.09 -1.00 0.00 0.00 179.01 178.18 2k52 n ASN 45 N -4.47 1.98 -4.64 1.42 3.02 0.02 -4.87 115.26 107.73 2k52 n ASN 45 Ca 0.09 -1.57 -0.39 0.00 -0.03 0.00 0.00 54.58 52.68 2k52 n ASN 45 Cb 0.37 0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.54 2k52 n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k52 s LEU 46 N -2.13 4.09 0.21 3.41 1.43 -0.73 -5.01 118.68 119.96 2k52 s LEU 46 Ca 0.31 0.46 0.09 0.00 -1.03 0.00 0.00 54.13 53.96 2k52 s LEU 46 Cb 0.20 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 2k52 s LEU 46 CO 0.38 -0.17 -0.07 0.20 0.23 0.00 0.00 176.35 176.92 2k52 s ASN 47 N 1.36 4.34 -0.17 2.29 0.01 -1.26 -4.92 114.94 116.60 2k52 s ASN 47 Ca 0.19 -0.61 -0.29 0.00 -0.71 0.00 0.00 52.86 51.44 2k52 s ASN 47 Cb -0.15 -0.76 -0.05 0.00 0.41 0.00 0.00 41.25 40.70 2k52 s ASN 47 CO 0.09 0.07 2.03 -0.69 -1.51 0.00 0.00 177.10 177.09 2k52 s VAL 48 N -1.93 3.16 0.00 1.60 1.01 -1.26 -1.90 120.40 121.08 2k52 s VAL 48 Ca 0.27 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2k52 s VAL 48 Cb -0.08 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2k52 s VAL 48 CO 0.17 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2k52 n GLY 49 N 5.28 1.71 3.72 4.51 0.00 0.29 -5.03 105.19 115.68 2k52 n GLY 49 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2k52 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k52 s ASP 50 N -1.91 6.91 -0.35 1.61 1.01 -0.80 -4.70 116.67 118.45 2k52 s ASP 50 Ca 0.00 2.30 -0.18 0.00 0.71 0.00 0.00 52.55 55.39 2k52 s ASP 50 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 2k52 s ASP 50 CO 0.00 -0.56 0.49 -1.61 0.21 0.00 0.00 175.17 173.70 2k52 s GLU 51 N 0.54 3.62 0.03 8.23 2.02 -1.26 -0.79 118.70 131.10 2k52 s GLU 51 Ca 0.60 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 55.47 2k52 s GLU 51 Cb -0.35 -3.80 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 2k52 s GLU 51 CO 0.34 -0.62 -0.19 0.42 0.02 0.00 0.00 175.26 175.23 2k52 s ILE 52 N 2.33 2.74 -0.28 -1.63 1.01 0.74 -4.93 121.20 121.17 2k52 s ILE 52 Ca 0.18 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 2k52 s ILE 52 Cb -0.16 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 2k52 s ILE 52 CO 0.13 0.36 0.66 -0.63 0.00 0.00 0.00 174.94 175.46 2k52 s ILE 53 N -0.90 4.93 0.08 2.92 1.01 -1.26 -0.54 121.20 127.44 2k52 s ILE 53 Ca 0.14 1.02 0.03 0.00 0.00 0.00 0.00 60.65 61.84 2k52 s ILE 53 Cb -0.10 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2k52 s ILE 53 CO 0.05 -0.09 -0.09 0.68 0.00 0.00 0.00 174.94 175.48 2k52 s VAL 54 N 2.62 0.79 -0.20 2.92 -7.23 -0.14 -3.67 120.40 115.49 2k52 s VAL 54 Ca 0.27 -1.49 -0.09 0.00 -1.81 0.00 0.00 61.98 58.85 2k52 s VAL 54 Cb -0.15 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 2k52 s VAL 54 CO 0.10 -0.53 0.11 -1.58 -0.31 0.00 0.00 175.10 172.90 2k52 s GLN 55 N -2.51 4.10 -0.78 4.82 0.74 0.26 -1.72 119.66 124.57 2k52 s GLN 55 Ca 0.01 -0.27 -0.26 0.00 0.05 0.00 0.00 55.36 54.89 2k52 s GLN 55 Cb -0.04 -3.37 0.04 0.00 1.10 0.00 0.00 33.01 30.74 2k52 s GLN 55 CO -0.00 0.26 1.29 0.00 -0.55 0.00 0.00 175.29 176.28 2k52 s ALA 56 N 0.46 2.77 0.05 1.58 0.00 -0.20 -1.21 121.76 125.21 2k52 s ALA 56 Ca 0.06 -1.55 -0.34 0.00 0.00 0.00 0.00 51.96 50.14 2k52 s ALA 56 Cb -0.12 -4.28 -0.19 0.00 0.00 0.00 0.00 23.12 18.54 2k52 s ALA 56 CO -0.01 -3.31 1.47 0.82 0.00 0.00 0.00 175.76 174.74 2k52 h ILE 57 N 6.14 0.00 -3.82 0.00 2.04 -0.10 0.47 117.51 122.25 2k52 h ILE 57 Ca -0.20 -0.04 -0.32 0.00 1.00 0.00 0.00 64.86 65.30 2k52 h ILE 57 Cb 1.04 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.93 2k52 h ILE 57 CO 1.30 0.00 -0.74 -1.81 0.00 0.00 0.00 178.15 176.90 2k52 s ASP 58 N -3.90 1.34 -0.10 1.72 1.01 -1.23 -3.42 116.67 112.08 2k52 s ASP 58 Ca -0.18 -0.73 -0.01 0.00 0.71 0.00 0.00 52.55 52.34 2k52 s ASP 58 Cb 0.02 0.01 0.03 0.00 1.01 0.00 0.00 42.92 43.99 2k52 s ASP 58 CO 0.54 -0.23 -0.03 -0.69 0.21 0.00 0.00 175.17 174.96 2k52 s VAL 59 N -2.08 0.72 -0.36 -1.27 1.01 -1.26 -0.83 120.40 116.32 2k52 s VAL 59 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2k52 s VAL 59 Cb -0.05 -0.84 0.11 0.00 0.00 0.00 0.00 36.38 35.60 2k52 s VAL 59 CO 0.00 0.27 0.11 -0.13 0.00 0.00 0.00 175.10 175.35 2k52 s ARG 60 N 1.83 1.31 0.55 2.72 0.52 -1.16 -4.96 118.95 119.77 2k52 s ARG 60 Ca 0.04 -1.76 0.24 0.00 -0.52 0.00 0.00 55.73 53.72 2k52 s ARG 60 Cb -0.13 -2.80 1.51 0.00 0.52 0.00 0.00 34.95 34.04 2k52 s ARG 60 CO -0.07 -1.00 2.14 -1.00 0.02 0.00 0.00 175.30 175.39 2k52 h PRO 61 N 7.52 0.00 -0.86 3.54 0.13 -1.95 -0.08 132.00 140.29 2k52 h PRO 61 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2k52 h PRO 61 Cb 0.99 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 2k52 h PRO 61 CO 0.52 0.00 0.55 1.05 -0.23 0.00 0.00 178.00 179.90 2k52 h GLU 62 N 0.00 1.14 0.00 0.86 4.11 -1.96 -2.78 114.58 115.94 2k52 h GLU 62 Ca 0.06 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2k52 h GLU 62 Cb 0.29 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k52 h GLU 62 CO -0.00 0.77 -1.21 1.63 0.07 0.00 0.00 179.01 180.27 2k52 n LYS 63 N -4.39 0.46 -2.06 1.06 4.76 -0.61 -4.95 118.16 112.41 2k52 n LYS 63 Ca 0.10 -0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.33 2k52 n LYS 63 Cb 0.04 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.53 2k52 n LYS 63 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k52 n ARG 64 N -2.24 -1.60 -4.16 1.97 1.74 -0.14 -4.98 116.66 107.25 2k52 n ARG 64 Ca 0.00 1.08 -0.34 0.00 -0.77 0.00 0.00 57.85 57.83 2k52 n ARG 64 Cb 0.50 -5.63 -0.15 0.00 -1.02 0.00 0.00 32.46 26.16 2k52 n ARG 64 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2k52 s GLU 65 N -4.50 3.22 -0.14 5.56 2.02 -1.20 -4.60 118.70 119.06 2k52 s GLU 65 Ca 0.00 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 2k52 s GLU 65 Cb 0.00 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 2k52 s GLU 65 CO 0.00 -0.13 0.01 0.42 0.02 0.00 0.00 175.26 175.58 2k52 s ILE 66 N 1.21 4.31 -0.22 -1.63 1.01 -1.03 -2.99 121.20 121.87 2k52 s ILE 66 Ca 0.02 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 2k52 s ILE 66 Cb -0.14 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2k52 s ILE 66 CO -0.05 0.52 0.85 -1.81 0.00 0.00 0.00 174.94 174.45 2k52 s ASP 67 N -0.06 6.89 0.24 3.58 1.01 -0.01 -0.39 116.67 127.92 2k52 s ASP 67 Ca 0.04 1.10 0.07 0.00 0.71 0.00 0.00 52.55 54.47 2k52 s ASP 67 Cb -0.13 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2k52 s ASP 67 CO 0.02 -0.50 0.13 -0.36 0.21 0.00 0.00 175.17 174.67 2k52 s PHE 68 N 2.68 3.00 0.00 4.23 0.08 -0.56 0.65 117.98 128.07 2k52 s PHE 68 Ca 0.36 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.27 2k52 s PHE 68 Cb -0.16 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2k52 s PHE 68 CO 0.09 0.54 0.03 0.21 -0.10 0.00 0.00 175.22 175.99 2k52 s LYS 69 N -3.64 0.23 -0.07 0.44 2.20 -0.35 -4.31 119.74 114.24 2k52 s LYS 69 Ca 0.32 -0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.42 2k52 s LYS 69 Cb -0.08 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 2k52 s LYS 69 CO 0.23 -0.04 0.64 -0.47 -0.36 0.00 0.00 175.35 175.35 2k52 s TYR 70 N -0.82 3.57 0.03 4.03 5.04 -0.09 -0.57 117.35 128.54 2k52 s TYR 70 Ca -0.09 1.16 0.04 0.00 -2.44 0.00 0.00 57.07 55.74 2k52 s TYR 70 Cb -0.05 -2.73 -0.02 0.00 0.35 0.00 0.00 41.96 39.50 2k52 s TYR 70 CO -0.00 0.12 -0.13 0.96 -1.34 0.00 0.00 175.55 175.16 2k52 s ILE 71 N 0.69 1.01 0.82 3.14 -4.36 -1.24 -4.39 121.20 116.87 2k52 s ILE 71 Ca 0.34 -0.90 -0.12 0.00 -0.26 0.00 0.00 60.65 59.72 2k52 s ILE 71 Cb -0.17 -0.91 0.08 0.00 1.25 0.00 0.00 42.46 42.71 2k52 s ILE 71 CO 0.16 0.02 1.13 -2.84 0.24 0.00 0.00 174.94 173.65 2k52 s PRO 72 N -0.99 1.93 -0.16 0.37 0.02 -1.26 -4.84 135.00 130.07 2k52 s PRO 72 Ca 0.01 0.38 -0.07 0.00 0.02 0.00 0.00 61.00 61.34 2k52 s PRO 72 Cb -0.07 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.59 2k52 s PRO 72 CO 0.01 -1.67 0.35 -1.17 -0.33 0.00 0.00 177.00 174.19 2k52 s LEU 73 N -5.72 -0.23 0.00 -5.54 2.96 -1.26 -5.15 118.68 103.74 2k52 s LEU 73 Ca 0.61 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 2k52 s LEU 73 Cb -0.13 1.09 0.00 0.00 0.50 0.00 0.00 46.19 47.65 2k52 s LEU 73 CO 0.52 -0.21 0.04 -1.84 -1.32 0.00 0.00 176.35 173.54